#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 -0.62 3.65 2.61 0.00 -1.26 -4.58 105.19 104.99 2k4v n GLY 2 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 2.68 -0.09 1.61 -3.43 -1.26 -4.02 115.29 110.78 2k4v s HIS 3 Ca 0.00 0.87 0.04 0.00 -0.80 0.00 0.00 55.06 55.17 2k4v s HIS 3 Cb 0.00 -3.65 -0.00 0.00 -1.43 0.00 0.00 32.58 27.50 2k4v s HIS 3 CO 0.00 -2.01 -0.23 1.41 -2.00 0.00 0.00 174.74 171.91 2k4v s MET 4 N 3.76 2.84 -0.03 -0.38 1.75 -0.63 -5.06 119.30 121.55 2k4v s MET 4 Ca 0.58 -0.84 -0.02 0.00 -1.25 0.00 0.00 55.69 54.16 2k4v s MET 4 Cb -0.22 -2.19 0.02 0.00 2.84 0.00 0.00 34.83 35.28 2k4v s MET 4 CO 0.19 0.20 0.07 0.12 -0.65 0.00 0.00 175.02 174.95 2k4v s PHE 5 N 0.29 -0.07 0.05 4.11 5.36 -1.26 -1.24 117.98 125.21 2k4v s PHE 5 Ca -0.16 0.22 -0.04 0.00 -0.96 0.00 0.00 56.93 55.98 2k4v s PHE 5 Cb -0.17 -0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.44 2k4v s PHE 5 CO 0.08 -0.07 0.06 -1.83 -1.46 0.00 0.00 175.22 172.00 2k4v s GLU 6 N 0.44 0.62 -0.42 10.12 -1.05 -0.43 -5.03 118.70 122.94 2k4v s GLU 6 Ca -0.03 -0.92 -0.29 0.00 -0.15 0.00 0.00 54.97 53.58 2k4v s GLU 6 Cb -0.05 0.23 -0.08 0.00 -0.44 0.00 0.00 34.13 33.79 2k4v s GLU 6 CO -0.02 -0.15 2.34 -2.30 0.95 0.00 0.00 175.26 176.09 2k4v n PRO 7 N 0.49 1.25 0.00 -4.83 -0.02 -1.26 -1.91 135.00 128.72 2k4v n PRO 7 Ca -0.17 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2k4v n PRO 7 Cb 0.60 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 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 6.08 2.48 3.27 -1.23 0.00 -1.26 -5.08 105.19 109.46 2k4v n GLY 8 Ca 0.38 0.00 -0.12 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 -2.22 -0.50 -0.03 1.61 5.65 -0.80 -2.38 115.29 116.62 2k4v s HIS 9 Ca 0.00 1.14 0.05 0.00 0.25 0.00 0.00 55.06 56.49 2k4v s HIS 9 Cb 0.00 0.19 -0.03 0.00 -1.18 0.00 0.00 32.58 31.57 2k4v s HIS 9 CO 0.00 -0.27 -0.15 -1.17 -0.65 0.00 0.00 174.74 172.50 2k4v s LEU 10 N 0.76 2.68 -0.06 8.88 2.96 0.28 -1.31 118.68 132.86 2k4v s LEU 10 Ca -0.04 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 2k4v s LEU 10 Cb -0.05 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.11 2k4v s LEU 10 CO -0.05 0.33 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.97 2k4v s HIS 11 N -0.77 0.90 -0.24 5.38 5.65 -0.38 -1.23 115.29 124.60 2k4v s HIS 11 Ca 0.12 -0.30 0.02 0.00 0.25 0.00 0.00 55.06 55.15 2k4v s HIS 11 Cb -0.11 -0.81 0.06 0.00 -1.18 0.00 0.00 32.58 30.54 2k4v s HIS 11 CO 0.01 -0.27 -0.08 -0.48 -0.65 0.00 0.00 174.74 173.28 2k4v s LEU 12 N 1.21 2.91 0.22 8.88 2.34 -0.56 -1.60 118.68 132.09 2k4v s LEU 12 Ca -0.06 -1.25 0.06 0.00 0.06 0.00 0.00 54.13 52.93 2k4v s LEU 12 Cb -0.14 -1.33 -0.04 0.00 -0.56 0.00 0.00 46.19 44.12 2k4v s LEU 12 CO -0.02 -0.21 0.21 0.54 -1.06 0.00 0.00 176.35 175.81 2k4v s VAL 13 N 1.27 4.63 0.23 1.48 0.11 -1.26 -1.13 120.40 125.74 2k4v s VAL 13 Ca -0.07 -1.21 -0.30 0.00 -2.93 0.00 0.00 61.98 57.47 2k4v s VAL 13 Cb -0.19 -3.46 -0.09 0.00 -1.53 0.00 0.00 36.38 31.11 2k4v s VAL 13 CO -0.06 -0.26 1.21 -0.94 -3.33 0.00 0.00 175.10 171.72 2k4v s SER 14 N -3.62 7.05 -0.38 3.54 1.04 -1.11 -4.51 113.70 115.71 2k4v s SER 14 Ca 0.33 2.35 -0.28 0.00 0.48 0.00 0.00 55.95 58.82 2k4v s SER 14 Cb -0.09 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.43 2k4v s SER 14 CO 0.25 -0.37 1.06 -0.76 0.98 0.00 0.00 173.24 174.40 2k4v s LEU 15 N -0.77 3.86 0.04 2.42 1.43 -1.26 -4.87 118.68 119.53 2k4v s LEU 15 Ca 0.51 0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 54.07 2k4v s LEU 15 Cb -0.34 -3.48 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 2k4v s LEU 15 CO 0.41 -0.99 1.41 -2.16 0.23 0.00 0.00 176.35 175.25 2k4v s PRO 16 N 3.86 4.29 0.00 1.29 0.04 -1.26 -4.36 135.00 138.86 2k4v s PRO 16 Ca 0.45 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2k4v s PRO 16 Cb -0.11 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.96 2k4v s PRO 16 CO 0.21 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2k4v n GLY 17 N 3.61 -0.88 0.11 0.56 0.00 -1.26 -4.93 105.19 102.40 2k4v n GLY 17 Ca 0.13 0.41 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 2k4v n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k4v n LEU 18 N 0.00 1.60 -3.76 0.99 7.94 -1.26 -4.94 117.00 117.58 2k4v n LEU 18 Ca 0.00 0.26 -0.13 0.00 -1.11 0.00 0.00 56.01 55.03 2k4v n LEU 18 Cb 0.00 -0.36 -0.14 0.00 0.53 0.00 0.00 43.42 43.46 2k4v n LEU 18 CO 0.00 0.61 -0.19 -0.62 -1.11 0.00 0.00 177.39 176.08 2k4v s ASP 19 N -6.42 -0.16 -0.31 1.96 2.15 -1.26 -5.04 116.67 107.60 2k4v s ASP 19 Ca -0.14 0.36 0.09 0.00 0.43 0.00 0.00 52.55 53.30 2k4v s ASP 19 Cb 0.07 0.27 0.46 0.00 -0.30 0.00 0.00 42.92 43.43 2k4v s ASP 19 CO 0.79 -0.14 1.16 0.00 -0.17 0.00 0.00 175.17 176.81 2k4v n GLN 20 N 3.98 3.25 -1.40 4.34 3.00 -1.26 -4.08 117.38 125.21 2k4v n GLN 20 Ca -0.23 -4.09 -0.32 0.00 -0.01 0.00 0.00 57.00 52.35 2k4v n GLN 20 Cb 0.53 -2.15 0.08 0.00 0.00 0.00 0.00 30.24 28.71 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 -3.61 2.38 -0.63 -1.09 0.74 -1.26 -4.92 119.66 111.27 2k4v s GLN 21 Ca 0.46 1.26 -0.06 0.00 0.05 0.00 0.00 55.36 57.08 2k4v s GLN 21 Cb 0.40 -1.91 -0.05 0.00 1.10 0.00 0.00 33.01 32.55 2k4v s GLN 21 CO -0.00 -1.56 2.99 -3.47 -0.55 0.00 0.00 175.29 172.70 2k4v n ASP 22 N -3.18 6.70 -4.58 6.67 2.03 -1.26 -4.59 116.55 118.33 2k4v n ASP 22 Ca 0.10 -2.89 -0.42 0.00 0.52 0.00 0.00 54.79 52.10 2k4v n ASP 22 Cb 0.53 -1.36 -0.06 0.00 -0.72 0.00 0.00 41.12 39.51 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 -0.48 4.86 -0.22 5.18 -5.25 -1.26 -1.14 121.20 122.89 2k4v s ILE 23 Ca 0.62 0.77 -0.04 0.00 -0.99 0.00 0.00 60.65 61.01 2k4v s ILE 23 Cb 0.30 -4.09 0.07 0.00 2.95 0.00 0.00 42.46 41.70 2k4v s ILE 23 CO -0.11 -0.28 0.09 0.20 -1.79 0.00 0.00 174.94 173.04 2k4v s ASN 24 N 1.74 2.93 -0.05 4.36 0.01 -0.35 -2.77 114.94 120.82 2k4v s ASN 24 Ca 0.27 -0.93 0.03 0.00 -0.71 0.00 0.00 52.86 51.52 2k4v s ASN 24 Cb -0.14 -0.40 0.00 0.00 0.41 0.00 0.00 41.25 41.12 2k4v s ASN 24 CO 0.14 -0.37 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.59 2k4v s ILE 25 N 2.03 1.26 -0.25 0.60 1.01 -0.29 -1.44 121.20 124.12 2k4v s ILE 25 Ca 0.04 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 2k4v s ILE 25 Cb -0.16 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 2k4v s ILE 25 CO -0.18 0.37 0.06 -1.00 0.00 0.00 0.00 174.94 174.19 2k4v s HIS 26 N 0.32 3.07 -0.22 3.97 3.76 0.02 -1.50 115.29 124.71 2k4v s HIS 26 Ca -0.09 -0.59 0.02 0.00 -0.15 0.00 0.00 55.06 54.25 2k4v s HIS 26 Cb -0.13 -2.22 0.04 0.00 1.11 0.00 0.00 32.58 31.38 2k4v s HIS 26 CO 0.03 -0.42 -0.14 0.42 -0.85 0.00 0.00 174.74 173.77 2k4v s ILE 27 N 1.58 2.06 -0.14 0.60 1.01 -0.37 -2.14 121.20 123.81 2k4v s ILE 27 Ca 0.06 -1.31 -0.05 0.00 0.00 0.00 0.00 60.65 59.34 2k4v s ILE 27 Cb -0.15 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 2k4v s ILE 27 CO 0.02 0.20 0.06 -0.13 0.00 0.00 0.00 174.94 175.09 2k4v s ARG 28 N 1.20 3.53 -0.20 2.79 0.52 0.06 -0.56 118.95 126.30 2k4v s ARG 28 Ca -0.03 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 54.87 2k4v s ARG 28 Cb -0.17 -3.06 0.04 0.00 0.52 0.00 0.00 34.95 32.27 2k4v s ARG 28 CO -0.08 0.52 -0.14 1.52 0.02 0.00 0.00 175.30 177.14 2k4v s TYR 29 N -0.34 2.70 -0.24 -0.53 1.13 -1.00 -1.25 117.35 117.83 2k4v s TYR 29 Ca 0.09 -1.73 0.02 0.00 -1.41 0.00 0.00 57.07 54.03 2k4v s TYR 29 Cb -0.12 -1.80 0.05 0.00 -1.10 0.00 0.00 41.96 39.00 2k4v s TYR 29 CO 0.02 -0.79 -0.11 -1.21 -2.51 0.00 0.00 175.55 170.95 2k4v s GLU 30 N 1.30 2.19 -0.28 -3.49 2.02 -0.39 -4.61 118.70 115.45 2k4v s GLU 30 Ca -0.00 -1.16 -0.27 0.00 0.02 0.00 0.00 54.97 53.56 2k4v s GLU 30 Cb -0.16 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.35 2k4v s GLU 30 CO -0.09 -0.51 0.96 0.08 0.02 0.00 0.00 175.26 175.71 2k4v s VAL 31 N 1.22 4.68 0.22 2.63 1.01 -1.26 -0.88 120.40 128.02 2k4v s VAL 31 Ca -0.06 1.67 0.09 0.00 0.00 0.00 0.00 61.98 63.69 2k4v s VAL 31 Cb -0.18 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2k4v s VAL 31 CO -0.07 -0.26 -0.17 -0.60 0.00 0.00 0.00 175.10 174.00 2k4v s ARG 32 N 3.21 1.44 -0.24 2.72 3.52 -0.58 -5.00 118.95 124.02 2k4v s ARG 32 Ca 0.40 -1.61 -0.06 0.00 -0.13 0.00 0.00 55.73 54.33 2k4v s ARG 32 Cb -0.14 -1.38 -0.01 0.00 -1.56 0.00 0.00 34.95 31.85 2k4v s ARG 32 CO 0.10 0.25 0.02 -0.65 -0.81 0.00 0.00 175.30 174.21 2k4v s GLN 33 N -3.43 3.45 0.24 5.12 -1.52 -1.26 -1.46 119.66 120.80 2k4v s GLN 33 Ca 0.24 -0.59 -0.02 0.00 -1.95 0.00 0.00 55.36 53.03 2k4v s GLN 33 Cb -0.03 -3.17 -0.05 0.00 -0.22 0.00 0.00 33.01 29.54 2k4v s GLN 33 CO 0.09 -0.22 0.46 0.54 -0.25 0.00 0.00 175.29 175.91 2k4v s ASN 34 N 1.53 6.40 0.36 5.90 6.03 0.46 -4.99 114.94 130.64 2k4v s ASN 34 Ca 0.06 0.52 0.16 0.00 -1.03 0.00 0.00 52.86 52.57 2k4v s ASN 34 Cb -0.15 -2.06 0.67 0.00 -3.03 0.00 0.00 41.25 36.69 2k4v s ASN 34 CO 0.00 -0.11 1.75 0.00 -2.03 0.00 0.00 177.10 176.71 2k4v h ALA 35 N 1.81 1.09 0.11 3.54 0.00 -2.00 -1.80 119.26 122.01 2k4v h ALA 35 Ca -0.48 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 2k4v h ALA 35 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k4v h ALA 35 CO 0.67 0.51 -0.05 1.49 0.00 0.00 0.00 179.25 181.87 2k4v h GLU 36 N 0.00 -0.14 -0.01 0.00 4.81 -2.01 -3.38 114.58 113.85 2k4v h GLU 36 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k4v h GLU 36 Cb 0.85 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2k4v h GLU 36 CO 0.05 0.33 -0.11 0.45 -0.73 0.00 0.00 179.01 179.01 2k4v n SER 37 N -4.84 1.84 0.00 1.04 2.88 -1.26 -5.07 113.62 108.21 2k4v n SER 37 Ca -0.07 -1.42 0.00 0.00 -1.33 0.00 0.00 58.87 56.05 2k4v n SER 37 Cb 0.27 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.87 1.69 3.74 0.46 0.00 -0.68 -4.78 105.19 106.51 2k4v n GLY 38 Ca 0.07 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.03 3.31 0.19 4.61 0.00 -1.26 -0.40 121.76 127.18 2k4v s ALA 39 Ca 0.00 0.62 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 2k4v s ALA 39 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2k4v s ALA 39 CO 0.00 0.12 0.30 1.52 0.00 0.00 0.00 175.76 177.71 2k4v s TYR 40 N -0.82 0.48 -0.09 0.00 1.13 -0.54 -1.80 117.35 115.73 2k4v s TYR 40 Ca 0.43 -0.83 0.02 0.00 -1.41 0.00 0.00 57.07 55.28 2k4v s TYR 40 Cb -0.25 -0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.55 2k4v s TYR 40 CO 0.32 -0.77 -0.12 0.08 -2.51 0.00 0.00 175.55 172.55 2k4v s VAL 41 N -4.00 1.23 -0.36 -3.49 1.01 -0.67 -1.53 120.40 112.58 2k4v s VAL 41 Ca 0.21 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 2k4v s VAL 41 Cb 0.03 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.28 2k4v s VAL 41 CO 0.03 0.38 0.83 -2.28 0.00 0.00 0.00 175.10 174.07 2k4v s HIS 42 N 0.92 3.10 -0.39 5.22 5.04 -0.06 -2.45 115.29 126.67 2k4v s HIS 42 Ca -0.09 0.64 -0.15 0.00 -1.54 0.00 0.00 55.06 53.92 2k4v s HIS 42 Cb -0.15 -3.49 0.01 0.00 0.04 0.00 0.00 32.58 28.99 2k4v s HIS 42 CO 0.00 -0.76 0.30 -0.06 -2.34 0.00 0.00 174.74 171.88 2k4v s PHE 43 N 3.23 3.23 -0.21 3.88 0.08 -0.30 -1.26 117.98 126.64 2k4v s PHE 43 Ca 0.34 -0.47 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 2k4v s PHE 43 Cb -0.13 -2.58 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 2k4v s PHE 43 CO 0.17 -0.54 0.03 0.34 -0.10 0.00 0.00 175.22 175.12 2k4v s ASP 44 N 1.70 5.04 -0.01 1.36 2.15 -0.38 -1.60 116.67 124.92 2k4v s ASP 44 Ca 0.06 -0.15 0.06 0.00 0.43 0.00 0.00 52.55 52.95 2k4v s ASP 44 Cb -0.18 -1.87 -0.02 0.00 -0.30 0.00 0.00 42.92 40.55 2k4v s ASP 44 CO 0.10 0.06 -0.20 -0.04 -0.17 0.00 0.00 175.17 174.92 2k4v s MET 45 N 1.02 1.61 0.26 4.34 -1.94 0.39 -0.76 119.30 124.22 2k4v s MET 45 Ca 0.03 -0.73 -0.22 0.00 -1.71 0.00 0.00 55.69 53.06 2k4v s MET 45 Cb -0.14 -1.57 0.03 0.00 2.01 0.00 0.00 34.83 35.16 2k4v s MET 45 CO 0.02 0.43 0.76 0.16 -0.01 0.00 0.00 175.02 176.38 2k4v s ASP 46 N -0.52 -0.25 0.00 3.03 -4.77 -0.91 -1.43 116.67 111.82 2k4v s ASP 46 Ca 0.08 -0.58 0.00 0.00 -3.30 0.00 0.00 52.55 48.75 2k4v s ASP 46 Cb -0.08 0.69 0.00 0.00 -1.09 0.00 0.00 42.92 42.44 2k4v s ASP 46 CO -0.01 -1.28 0.00 0.61 0.70 0.00 0.00 175.17 175.19 2k4v n GLY 47 N -0.46 -0.06 3.30 2.12 0.00 -0.68 -0.80 105.19 108.61 2k4v n GLY 47 Ca -0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.56 0.97 -0.28 1.61 -1.05 -0.52 -2.19 118.70 115.68 2k4v s GLU 48 Ca 0.00 -0.59 0.01 0.00 -0.15 0.00 0.00 54.97 54.23 2k4v s GLU 48 Cb 0.00 0.43 0.17 0.00 -0.44 0.00 0.00 34.13 34.29 2k4v s GLU 48 CO 0.00 -0.35 0.51 0.42 0.95 0.00 0.00 175.26 176.78 2k4v s ILE 49 N -3.24 -0.84 -1.25 1.83 1.01 0.34 -1.22 121.20 117.84 2k4v s ILE 49 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 2k4v s ILE 49 Cb 0.01 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.53 2k4v s ILE 49 CO -0.08 -0.08 1.00 -0.67 0.00 0.00 0.00 174.94 175.11 2k4v n ASP 50 N 5.40 -2.79 0.00 3.58 2.03 -0.29 -2.86 116.55 121.62 2k4v n ASP 50 Ca 0.00 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.68 2k4v n ASP 50 Cb 0.51 -4.96 0.00 0.00 -0.72 0.00 0.00 41.12 35.95 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 -1.35 2.07 3.71 0.27 0.00 -1.25 -4.99 105.19 103.64 2k4v n GLY 51 Ca -0.23 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 4.40 0.73 1.61 1.02 -1.13 -4.92 119.74 121.45 2k4v s LYS 52 Ca 0.00 0.84 -0.11 0.00 0.02 0.00 0.00 55.97 56.72 2k4v s LYS 52 Cb 0.00 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 2k4v s LYS 52 CO 0.00 0.01 1.07 -1.25 -0.92 0.00 0.00 175.35 174.26 2k4v s PRO 53 N 1.00 2.64 -0.04 -1.68 0.04 -1.26 -0.50 135.00 135.19 2k4v s PRO 53 Ca 0.36 0.92 -0.20 0.00 0.04 0.00 0.00 61.00 62.12 2k4v s PRO 53 Cb -0.17 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.45 2k4v s PRO 53 CO 0.16 -1.30 0.43 -0.59 0.04 0.00 0.00 177.00 175.74 2k4v s PHE 54 N -3.04 -0.35 -0.14 0.56 -0.71 -0.93 -4.89 117.98 108.47 2k4v s PHE 54 Ca 0.59 0.61 -0.04 0.00 -1.04 0.00 0.00 56.93 57.06 2k4v s PHE 54 Cb -0.15 0.19 0.06 0.00 -1.21 0.00 0.00 43.02 41.92 2k4v s PHE 54 CO 0.55 -0.44 0.15 -1.12 -1.34 0.00 0.00 175.22 173.02 2k4v s SER 55 N -1.12 1.48 0.02 1.98 0.01 -1.26 -1.68 113.70 113.13 2k4v s SER 55 Ca -0.11 -0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.05 2k4v s SER 55 Cb -0.04 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.28 2k4v s SER 55 CO 0.05 -0.30 -0.17 -1.81 0.41 0.00 0.00 173.24 171.42 2k4v s ASP 56 N 2.24 2.03 -0.06 2.44 1.01 -0.52 -4.99 116.67 118.83 2k4v s ASP 56 Ca 0.04 -0.41 -0.04 0.00 0.71 0.00 0.00 52.55 52.85 2k4v s ASP 56 Cb -0.14 -0.18 0.03 0.00 1.01 0.00 0.00 42.92 43.63 2k4v s ASP 56 CO -0.08 0.14 0.14 -0.55 0.21 0.00 0.00 175.17 175.03 2k4v s SER 57 N -0.84 -0.12 -0.02 0.27 0.15 -1.26 -0.46 113.70 111.42 2k4v s SER 57 Ca 0.05 0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.88 2k4v s SER 57 Cb -0.08 0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.47 2k4v s SER 57 CO 0.01 -0.10 0.22 0.72 1.20 0.00 0.00 173.24 175.29 2k4v s PHE 58 N 0.69 -0.09 -0.04 3.44 -0.71 -0.63 -5.04 117.98 115.61 2k4v s PHE 58 Ca -0.05 0.12 0.07 0.00 -1.04 0.00 0.00 56.93 56.03 2k4v s PHE 58 Cb -0.07 0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.75 2k4v s PHE 58 CO -0.03 -0.31 -0.24 -1.21 -1.34 0.00 0.00 175.22 172.09 2k4v s GLU 59 N -1.19 2.30 -0.04 1.99 8.01 -1.26 -1.15 118.70 127.36 2k4v s GLU 59 Ca -0.13 -0.88 0.03 0.00 0.01 0.00 0.00 54.97 54.00 2k4v s GLU 59 Cb -0.06 -2.13 0.00 0.00 -4.31 0.00 0.00 34.13 27.63 2k4v s GLU 59 CO 0.03 0.52 -0.13 -0.51 0.01 0.00 0.00 175.26 175.18 2k4v s LEU 60 N -0.51 1.81 0.89 1.80 1.43 -1.02 -5.01 118.68 118.06 2k4v s LEU 60 Ca 0.07 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 2k4v s LEU 60 Cb -0.11 -0.78 0.13 0.00 0.03 0.00 0.00 46.19 45.45 2k4v s LEU 60 CO 0.00 0.10 1.12 -2.16 0.23 0.00 0.00 176.35 175.64 2k4v s PRO 61 N 0.23 1.27 0.41 1.29 0.04 -1.26 -1.68 135.00 135.30 2k4v s PRO 61 Ca -0.06 1.36 0.21 0.00 0.04 0.00 0.00 61.00 62.55 2k4v s PRO 61 Cb -0.11 -1.77 1.18 0.00 0.04 0.00 0.00 34.50 33.84 2k4v s PRO 61 CO 0.02 -2.39 1.74 0.07 0.04 0.00 0.00 177.00 176.47 2k4v h ARG 62 N -1.69 0.31 0.00 4.56 -0.00 -1.66 0.14 114.38 116.05 2k4v h ARG 62 Ca -0.45 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.98 59.47 2k4v h ARG 62 Cb 1.26 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.97 31.16 2k4v h ARG 62 CO 0.46 0.20 -0.22 0.22 -0.00 0.00 0.00 179.97 180.63 2k4v h ASP 63 N 0.32 0.00 0.00 0.08 3.58 -1.91 -3.18 116.42 115.31 2k4v h ASP 63 Ca 0.64 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.09 2k4v h ASP 63 Cb 1.74 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.79 2k4v h ASP 63 CO -0.32 0.22 0.00 0.35 -2.88 0.00 0.00 179.24 176.61 2k4v n THR 64 N -3.38 0.53 -0.37 2.25 -2.24 -0.39 -4.80 114.28 105.88 2k4v n THR 64 Ca 0.00 -0.63 0.01 0.00 -2.27 0.00 0.00 64.05 61.16 2k4v n THR 64 Cb 0.43 0.81 0.15 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.36 0.00 6.98 0.00 -0.76 -2.37 119.26 124.47 2k4v h ALA 65 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k4v h ALA 65 Cb 0.49 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.94 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 -4.47 0.00 1.27 0.00 3.72 -1.26 -2.12 117.46 114.61 2k4v n PHE 66 Ca 0.14 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.68 2k4v n PHE 66 Cb 0.13 -0.33 0.69 0.00 -0.94 0.00 0.00 39.48 39.03 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 -1.33 0.00 0.28 4.37 3.02 -0.89 -4.00 115.26 116.70 2k4v n ASN 67 Ca 0.07 -0.03 0.14 0.00 -0.03 0.00 0.00 54.58 54.73 2k4v n ASN 67 Cb 0.14 -0.32 0.79 0.00 -0.61 0.00 0.00 39.78 39.79 2k4v n ASN 67 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2k4v h PHE 68 N 0.00 0.00 0.00 3.10 -0.00 -1.62 -3.16 116.94 115.26 2k4v h PHE 68 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.94 2k4v h PHE 68 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.24 2k4v h PHE 68 CO 0.00 0.09 -0.11 0.00 -0.00 0.00 0.00 178.31 178.29 2k4v h ALA 69 N 1.91 0.01 -0.02 12.09 0.00 -1.85 0.11 119.26 131.51 2k4v h ALA 69 Ca -0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 2k4v h ALA 69 Cb 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k4v h ALA 69 CO 0.01 -0.01 -0.63 0.77 0.00 0.00 0.00 179.25 179.40 2k4v h SER 70 N -0.72 0.10 0.21 0.00 0.02 -1.87 -2.50 113.55 108.79 2k4v h SER 70 Ca -0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2k4v h SER 70 Cb 0.92 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2k4v h SER 70 CO 0.02 0.70 -0.10 -0.78 -1.14 0.00 0.00 176.83 175.53 2k4v h ASP 71 N 0.06 -0.24 -0.93 3.07 1.82 -1.51 -1.35 116.42 117.34 2k4v h ASP 71 Ca -0.01 -0.28 0.09 0.00 -0.39 0.00 0.00 57.03 56.44 2k4v h ASP 71 Cb 1.12 0.06 -0.07 0.00 0.68 0.00 0.00 39.33 41.12 2k4v h ASP 71 CO 0.09 0.22 0.57 0.00 -1.61 0.00 0.00 179.24 178.51 2k4v h ALA 72 N -0.22 1.32 0.02 -0.78 0.00 -0.84 -0.29 119.26 118.48 2k4v h ALA 72 Ca -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k4v h ALA 72 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k4v h ALA 72 CO 0.05 0.26 -0.01 1.15 0.00 0.00 0.00 179.25 180.70 2k4v h THR 73 N 0.98 1.13 -0.60 0.00 2.02 -1.50 -2.25 112.91 112.69 2k4v h THR 73 Ca 0.43 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 67.24 2k4v h THR 73 Cb 0.31 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 2k4v h THR 73 CO -0.22 0.11 0.26 -0.09 0.37 0.00 0.00 175.52 175.96 2k4v h ARG 74 N -0.22 0.46 -0.03 6.66 2.43 -0.74 -1.38 114.38 121.56 2k4v h ARG 74 Ca -0.00 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 2k4v h ARG 74 Cb 0.21 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2k4v h ARG 74 CO 0.00 0.30 -0.69 -0.24 -1.51 0.00 0.00 179.97 177.84 2k4v h VAL 75 N 0.47 1.44 -0.08 0.20 3.04 -1.09 -3.13 116.25 117.11 2k4v h VAL 75 Ca 0.29 -2.22 -0.05 0.00 -1.01 0.00 0.00 66.70 63.72 2k4v h VAL 75 Cb 0.31 2.18 -0.00 0.00 -2.01 0.00 0.00 31.29 31.77 2k4v h VAL 75 CO -0.26 0.65 -0.13 0.00 -1.01 0.00 0.00 177.57 176.82 2k4v h ALA 76 N 1.17 0.12 0.00 3.17 0.00 -0.96 -3.22 119.26 119.55 2k4v h ALA 76 Ca -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2k4v h ALA 76 Cb 1.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k4v h ALA 76 CO 0.10 0.00 -0.06 -0.56 0.00 0.00 0.00 179.25 178.74 2k4v h GLN 77 N -0.23 0.00 0.00 0.00 3.07 -1.31 -1.70 115.11 114.93 2k4v h GLN 77 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 2k4v h GLN 77 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.26 2k4v h GLN 77 CO 0.03 0.06 0.00 0.87 0.09 0.00 0.00 178.83 179.88 2k4v h LYS 78 N 0.00 0.00 -0.90 0.06 6.56 -1.55 -2.57 116.57 118.17 2k4v h LYS 78 Ca -0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.45 2k4v h LYS 78 Cb 0.32 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.89 2k4v h LYS 78 CO 0.01 0.00 0.18 0.72 -2.06 0.00 0.00 179.45 178.29 2k4v n HIS 79 N -2.96 1.34 -0.18 -1.35 8.25 -0.64 -4.81 115.22 114.86 2k4v n HIS 79 Ca -0.01 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.65 2k4v n HIS 79 Cb 0.17 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.81 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 -0.03 0.50 3.83 -1.41 0.00 -1.16 -4.83 105.19 102.10 2k4v n GLY 80 Ca 0.23 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.18 3.66 0.87 0.99 2.01 -0.98 -4.70 118.68 120.35 2k4v s LEU 81 Ca 0.00 1.68 -0.11 0.00 0.01 0.00 0.00 54.13 55.70 2k4v s LEU 81 Cb 0.00 -4.52 0.11 0.00 0.01 0.00 0.00 46.19 41.79 2k4v s LEU 81 CO 0.00 -0.71 1.09 -1.38 1.01 0.00 0.00 176.35 176.37 2k4v s HIS 82 N -2.46 2.46 -0.90 0.29 -3.43 -1.26 -4.91 115.29 105.07 2k4v s HIS 82 Ca 0.61 1.24 -0.24 0.00 -0.80 0.00 0.00 55.06 55.88 2k4v s HIS 82 Cb -0.12 -3.15 -0.22 0.00 -1.43 0.00 0.00 32.58 27.66 2k4v s HIS 82 CO 0.29 -2.21 2.48 -2.30 -2.00 0.00 0.00 174.74 170.99 2k4v n PRO 83 N -3.75 0.21 0.18 -0.38 -0.02 -1.26 -4.80 135.00 125.17 2k4v n PRO 83 Ca 0.07 -0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.58 2k4v n PRO 83 Cb 0.55 -1.85 0.10 0.00 -0.02 0.00 0.00 33.50 32.28 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 12.95 0.00 0.00 -0.52 3.64 -2.02 -3.33 116.57 127.29 2k4v h LYS 84 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2k4v h LYS 84 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2k4v h LYS 84 CO 1.39 0.03 0.00 1.19 -2.27 0.00 0.00 179.45 179.79 2k4v n PHE 85 N -2.97 0.00 1.48 1.91 3.72 -1.26 -1.79 117.46 118.56 2k4v n PHE 85 Ca 0.02 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.57 2k4v n PHE 85 Cb 0.55 -0.42 0.77 0.00 -0.94 0.00 0.00 39.48 39.44 2k4v n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k4v n GLY 86 N -0.07 -1.21 3.73 1.37 0.00 -1.25 -4.86 105.19 102.90 2k4v n GLY 86 Ca 0.05 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.47 3.64 0.82 4.61 0.00 -0.74 -5.03 121.76 122.60 2k4v s ALA 87 Ca 0.31 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 2k4v s ALA 87 Cb 0.20 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.85 2k4v s ALA 87 CO 0.43 -0.67 1.13 0.96 0.00 0.00 0.00 175.76 177.62 2k4v s ILE 88 N 0.70 2.48 0.30 0.00 -0.00 -1.26 -4.98 121.20 118.43 2k4v s ILE 88 Ca 0.63 0.16 0.20 0.00 -0.00 0.00 0.00 60.65 61.64 2k4v s ILE 88 Cb -0.40 -3.02 0.18 0.00 -0.00 0.00 0.00 42.46 39.22 2k4v s ILE 88 CO 0.35 -0.20 1.87 0.00 -0.00 0.00 0.00 174.94 176.95 2k4v h THR 89 N -1.14 0.87 -1.90 8.37 1.03 -2.00 -3.37 112.91 114.77 2k4v h THR 89 Ca -0.48 -1.12 -0.72 0.00 -0.01 0.00 0.00 66.41 64.09 2k4v h THR 89 Cb 1.30 1.67 -0.16 0.00 -1.07 0.00 0.00 68.15 69.90 2k4v h THR 89 CO 0.63 0.28 1.49 -0.60 -0.01 0.00 0.00 175.52 177.30 2k4v s ARG 90 N -3.96 4.02 -0.04 0.00 3.52 -1.26 -4.92 118.95 116.31 2k4v s ARG 90 Ca -0.02 -2.37 -0.03 0.00 -0.13 0.00 0.00 55.73 53.18 2k4v s ARG 90 Cb 0.13 -5.15 0.01 0.00 -1.56 0.00 0.00 34.95 28.38 2k4v s ARG 90 CO 0.66 -1.87 0.11 0.14 -0.81 0.00 0.00 175.30 173.53 2k4v s VAL 91 N 2.26 -0.01 -0.53 7.11 -7.23 -1.26 -5.13 120.40 115.61 2k4v s VAL 91 Ca 0.44 0.03 -0.12 0.00 -1.81 0.00 0.00 61.98 60.52 2k4v s VAL 91 Cb -0.02 -0.17 0.13 0.00 0.56 0.00 0.00 36.38 36.89 2k4v s VAL 91 CO 0.01 0.01 0.45 -1.00 -0.31 0.00 0.00 175.10 174.25 2k4v s HIS 92 N 0.23 3.39 -0.49 2.82 3.76 -1.26 -5.01 115.29 118.72 2k4v s HIS 92 Ca -0.01 -1.69 -0.12 0.00 -0.15 0.00 0.00 55.06 53.09 2k4v s HIS 92 Cb -0.02 -3.63 0.11 0.00 1.11 0.00 0.00 32.58 30.14 2k4v s HIS 92 CO -0.01 -1.00 0.39 0.15 -0.85 0.00 0.00 174.74 173.43 2k4v s LYS 93 N 1.30 2.72 -1.21 1.40 -0.14 -1.26 -5.02 119.74 117.53 2k4v s LYS 93 Ca 0.06 -1.67 -0.21 0.00 -1.36 0.00 0.00 55.97 52.79 2k4v s LYS 93 Cb -0.26 -4.06 -0.05 0.00 -1.68 0.00 0.00 37.83 31.78 2k4v s LYS 93 CO -0.00 -1.20 1.88 0.39 -0.76 0.00 0.00 175.35 175.67 2k4v n GLU 94 N 5.06 2.06 -0.06 1.68 1.02 -1.26 -4.68 120.64 124.47 2k4v n GLU 94 Ca -0.11 -2.68 -0.15 0.00 -0.02 0.00 0.00 57.16 54.21 2k4v n GLU 94 Cb 0.41 -3.63 -0.06 0.00 -0.02 0.00 0.00 31.44 28.14 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 8.98 0.86 -0.17 -0.32 5.03 -2.00 -3.26 116.97 126.08 2k4v h TYR 95 Ca 0.30 -0.32 -0.12 0.00 2.58 0.00 0.00 58.73 61.16 2k4v h TYR 95 Cb 0.90 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.02 2k4v h TYR 95 CO 1.28 1.10 -0.41 -0.44 -1.32 0.00 0.00 178.16 178.37 2k4v h ASP 96 N 0.37 0.42 -0.09 -2.11 5.19 -1.98 0.26 116.42 118.47 2k4v h ASP 96 Ca -0.00 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.21 2k4v h ASP 96 Cb 1.08 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.47 2k4v h ASP 96 CO 0.10 0.78 -0.02 0.00 -3.12 0.00 0.00 179.24 176.99 2k4v h ALA 97 N 1.24 0.13 -0.56 3.45 0.00 -1.96 -0.93 119.26 120.63 2k4v h ALA 97 Ca 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2k4v h ALA 97 Cb 0.86 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2k4v h ALA 97 CO 0.07 -0.16 0.07 1.98 0.00 0.00 0.00 179.25 181.21 2k4v h MET 98 N -0.14 0.95 -0.45 0.00 -1.53 -1.59 -2.04 114.93 110.12 2k4v h MET 98 Ca 0.02 -0.27 0.08 0.00 -3.44 0.00 0.00 59.70 56.10 2k4v h MET 98 Cb 0.41 -0.10 -0.07 0.00 -0.55 0.00 0.00 31.60 31.28 2k4v h MET 98 CO 0.01 0.92 0.04 0.35 0.14 0.00 0.00 176.91 178.36 2k4v h PHE 99 N 0.84 0.04 0.00 1.39 3.57 -0.88 -1.24 116.94 120.67 2k4v h PHE 99 Ca 0.17 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 2k4v h PHE 99 Cb 0.45 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2k4v h PHE 99 CO 0.03 -0.06 -0.55 1.05 -2.23 0.00 0.00 178.31 176.56 2k4v h GLU 100 N 0.16 0.00 0.54 1.11 4.11 -1.14 -1.94 114.58 117.41 2k4v h GLU 100 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.63 2k4v h GLU 100 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 2k4v h GLU 100 CO -0.34 0.55 -0.26 0.22 0.07 0.00 0.00 179.01 179.25 2k4v h ASP 101 N 0.00 -0.61 -0.77 3.06 1.82 -0.94 -1.65 116.42 117.34 2k4v h ASP 101 Ca -0.01 -0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.59 2k4v h ASP 101 Cb 1.22 0.16 -0.04 0.00 0.68 0.00 0.00 39.33 41.35 2k4v h ASP 101 CO 0.07 -0.25 0.51 0.40 -1.61 0.00 0.00 179.24 178.35 2k4v h ILE 102 N -1.00 1.19 0.00 2.25 2.04 -1.29 -1.41 117.51 119.29 2k4v h ILE 102 Ca -0.07 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 2k4v h ILE 102 Cb 0.63 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 2k4v h ILE 102 CO 0.12 0.19 -0.23 0.08 0.00 0.00 0.00 178.15 178.31 2k4v h ARG 103 N 1.03 0.00 0.01 2.37 -0.00 -1.41 -0.17 114.38 116.22 2k4v h ARG 103 Ca 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.26 2k4v h ARG 103 Cb -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.86 2k4v h ARG 103 CO -0.06 0.23 -0.01 0.00 -0.00 0.00 0.00 179.97 180.13 2k4v h ALA 104 N 1.77 -0.02 -0.97 0.08 0.00 -0.62 -2.04 119.26 117.47 2k4v h ALA 104 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2k4v h ALA 104 Cb 0.45 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2k4v h ALA 104 CO 0.03 -0.27 0.63 0.87 0.00 0.00 0.00 179.25 180.51 2k4v h LYS 105 N -0.49 1.16 -0.26 0.00 1.79 -0.89 0.24 116.57 118.12 2k4v h LYS 105 Ca -0.00 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.31 2k4v h LYS 105 Cb 0.47 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2k4v h LYS 105 CO 0.00 0.77 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.87 2k4v h LEU 106 N 1.20 0.47 0.00 2.94 4.07 -1.07 -1.93 115.31 120.99 2k4v h LEU 106 Ca 0.39 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.21 2k4v h LEU 106 Cb 0.04 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.65 2k4v h LEU 106 CO -0.13 0.69 -0.11 -0.74 -1.08 0.00 0.00 178.44 177.06 2k4v h HIS 107 N 0.43 0.00 -0.17 1.13 2.76 -0.80 -3.48 115.15 115.02 2k4v h HIS 107 Ca 0.07 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 2k4v h HIS 107 Cb 0.60 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 2k4v h HIS 107 CO 0.02 0.00 -0.07 0.00 -1.30 0.00 0.00 177.93 176.58 2k4v n ALA 108 N -1.98 -0.06 -3.08 5.26 0.00 0.79 -4.98 120.51 116.47 2k4v n ALA 108 Ca 0.04 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 2k4v n ALA 108 Cb 0.49 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.81 -0.08 -0.43 0.00 3.76 -0.82 -4.98 115.29 110.93 2k4v s HIS 109 Ca 0.00 0.03 -0.44 0.00 -0.15 0.00 0.00 55.06 54.49 2k4v s HIS 109 Cb 0.00 0.05 -0.18 0.00 1.11 0.00 0.00 32.58 33.56 2k4v s HIS 109 CO 0.00 -0.42 1.70 -2.30 -0.85 0.00 0.00 174.74 172.87 2k4v n PRO 110 N 0.99 0.38 0.00 8.40 -0.02 -1.26 -4.52 135.00 138.97 2k4v n PRO 110 Ca -0.20 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.54 2k4v n PRO 110 Cb 0.57 -1.71 0.30 0.00 -0.02 0.00 0.00 33.50 32.64 2k4v n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4v n GLY 111 N 4.36 -0.35 3.63 -1.23 0.00 -1.26 -4.86 105.19 105.47 2k4v n GLY 111 Ca 0.31 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.43 3.71 -0.20 1.61 -1.05 -1.26 -4.88 118.70 114.20 2k4v s GLU 112 Ca 0.24 1.98 -0.21 0.00 -0.15 0.00 0.00 54.97 56.83 2k4v s GLU 112 Cb 0.19 -4.15 -0.02 0.00 -0.44 0.00 0.00 34.13 29.71 2k4v s GLU 112 CO 0.51 -1.42 0.65 -1.25 0.95 0.00 0.00 175.26 174.70 2k4v s PRO 113 N 5.05 4.21 0.50 -4.83 0.04 -1.26 -5.07 135.00 133.64 2k4v s PRO 113 Ca 0.83 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 2k4v s PRO 113 Cb -0.31 -3.58 -0.08 0.00 0.04 0.00 0.00 34.50 30.56 2k4v s PRO 113 CO 0.34 -0.26 0.99 0.54 0.04 0.00 0.00 177.00 178.64 2k4v s VAL 114 N 1.99 4.37 -0.29 -0.36 0.11 -1.26 -5.01 120.40 119.94 2k4v s VAL 114 Ca 0.30 1.25 0.15 0.00 -2.93 0.00 0.00 61.98 60.75 2k4v s VAL 114 Cb -0.16 -3.63 0.40 0.00 -1.53 0.00 0.00 36.38 31.46 2k4v s VAL 114 CO 0.10 -0.53 1.31 0.47 -3.33 0.00 0.00 175.10 173.12 2k4v n ASP 115 N -1.32 3.27 0.26 3.54 8.00 -1.26 -4.73 116.55 124.32 2k4v n ASP 115 Ca 0.07 -2.78 0.13 0.00 0.71 0.00 0.00 54.79 52.92 2k4v n ASP 115 Cb 0.54 -0.43 0.72 0.00 -0.02 0.00 0.00 41.12 41.93 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2k4v h LEU 116 N 1.35 0.00 -0.86 0.64 8.10 -2.05 -2.50 115.31 119.99 2k4v h LEU 116 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2k4v h LEU 116 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 2k4v h LEU 116 CO 0.12 0.12 -0.08 1.21 -4.11 0.00 0.00 178.44 175.70 2k4v n GLU 117 N -3.56 1.53 0.00 0.17 4.07 -1.26 -4.71 120.64 116.88 2k4v n GLU 117 Ca -0.02 -0.61 0.09 0.00 -0.06 0.00 0.00 57.16 56.57 2k4v n GLU 117 Cb 0.26 -1.01 0.48 0.00 -0.06 0.00 0.00 31.44 31.10 2k4v n GLU 117 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2k4v n ARG 118 N -0.11 0.29 0.00 5.31 0.63 -0.94 -1.65 116.66 120.19 2k4v n ARG 118 Ca 0.03 0.10 0.10 0.00 -0.92 0.00 0.00 57.85 57.16 2k4v n ARG 118 Cb 0.14 -1.50 0.50 0.00 0.45 0.00 0.00 32.46 32.05 2k4v n ARG 118 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2k4v n ILE 119 N -1.26 0.42 -3.28 5.15 -0.00 -1.26 -4.90 119.36 114.23 2k4v n ILE 119 Ca 0.09 0.11 -0.15 0.00 -0.00 0.00 0.00 62.75 62.79 2k4v n ILE 119 Cb 0.14 -0.75 0.08 0.00 -0.00 0.00 0.00 39.64 39.11 2k4v n ILE 119 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2k4v n ILE 120 N -1.37 -7.31 -2.06 1.39 2.08 -0.66 -4.81 119.36 106.61 2k4v n ILE 120 Ca 0.08 -0.89 -0.27 0.00 0.56 0.00 0.00 62.75 62.23 2k4v n ILE 120 Cb 0.20 -5.65 -0.05 0.00 -0.75 0.00 0.00 39.64 33.39 2k4v n ILE 120 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2k4v s ARG 121 N -4.83 2.58 0.03 0.38 0.52 -1.25 -4.94 118.95 111.44 2k4v s ARG 121 Ca 0.22 -0.40 -0.27 0.00 -0.52 0.00 0.00 55.73 54.75 2k4v s ARG 121 Cb -0.03 -5.09 -0.05 0.00 0.52 0.00 0.00 34.95 30.31 2k4v s ARG 121 CO 0.71 -3.41 0.86 -3.38 0.02 0.00 0.00 175.30 170.09 2k4v s HIS 122 N 10.05 3.71 0.13 -0.53 -3.43 -1.26 -4.97 115.29 118.99 2k4v s HIS 122 Ca 0.69 1.57 -0.08 0.00 -0.80 0.00 0.00 55.06 56.44 2k4v s HIS 122 Cb -0.06 -2.95 -0.08 0.00 -1.43 0.00 0.00 32.58 28.06 2k4v s HIS 122 CO 0.00 0.16 1.34 1.49 -2.00 0.00 0.00 174.74 175.74 2k4v h GLU 123 N 6.09 0.64 0.00 -0.38 4.81 -2.04 -3.49 114.58 120.20 2k4v h GLU 123 Ca -0.42 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.27 2k4v h GLU 123 Cb 1.21 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2k4v h GLU 123 CO 0.73 1.16 0.00 0.41 -0.73 0.00 0.00 179.01 180.58 2k4v n GLY 124 N 0.68 -0.60 0.66 1.92 0.00 -1.26 -5.35 105.19 101.25 2k4v n GLY 124 Ca -0.07 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.51 2k4v n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76