#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 0.22 2.56 1.08 0.00 -1.26 -4.97 105.19 102.81 2k4v n GLY 2 Ca 0.00 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 2k4v n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k4v n HIS 3 N 0.00 -0.15 -2.26 1.61 8.25 -1.26 -4.92 115.22 116.49 2k4v n HIS 3 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2k4v n HIS 3 Cb 0.00 -3.51 -0.03 0.00 1.12 0.00 0.00 29.99 27.57 2k4v n HIS 3 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2k4v s MET 4 N -3.91 2.90 -0.06 -0.41 -1.94 -1.26 -4.95 119.30 109.67 2k4v s MET 4 Ca 0.00 0.05 0.01 0.00 -1.71 0.00 0.00 55.69 54.05 2k4v s MET 4 Cb 0.00 -4.48 0.02 0.00 2.01 0.00 0.00 34.83 32.38 2k4v s MET 4 CO 0.00 -2.56 -0.08 0.12 -0.01 0.00 0.00 175.02 172.49 2k4v s PHE 5 N 7.67 1.12 0.05 -0.03 5.36 -1.26 -1.18 117.98 129.70 2k4v s PHE 5 Ca 0.54 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 56.08 2k4v s PHE 5 Cb -0.09 -0.89 -0.02 0.00 -0.34 0.00 0.00 43.02 41.68 2k4v s PHE 5 CO 0.13 -0.26 0.05 -1.83 -1.46 0.00 0.00 175.22 171.86 2k4v s GLU 6 N 0.88 0.61 -0.45 10.12 -1.05 -0.34 -5.03 118.70 123.45 2k4v s GLU 6 Ca -0.11 -0.95 -0.27 0.00 -0.15 0.00 0.00 54.97 53.50 2k4v s GLU 6 Cb -0.15 0.23 -0.06 0.00 -0.44 0.00 0.00 34.13 33.71 2k4v s GLU 6 CO 0.01 -0.14 2.28 -1.25 0.95 0.00 0.00 175.26 177.11 2k4v s PRO 7 N -3.19 2.40 0.00 -4.83 0.04 -1.26 -2.01 135.00 126.15 2k4v s PRO 7 Ca 0.00 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2k4v s PRO 7 Cb 0.02 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2k4v s PRO 7 CO -0.07 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 174.44 2k4v n GLY 8 N 5.90 1.28 3.35 0.56 0.00 -1.26 -5.10 105.19 109.92 2k4v n GLY 8 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.11 -0.47 -0.04 1.61 5.65 -0.85 -1.64 115.29 118.44 2k4v s HIS 9 Ca 0.00 1.09 0.02 0.00 0.25 0.00 0.00 55.06 56.43 2k4v s HIS 9 Cb 0.00 0.18 0.01 0.00 -1.18 0.00 0.00 32.58 31.59 2k4v s HIS 9 CO 0.00 -0.29 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.54 2k4v s LEU 10 N -0.07 1.68 -0.26 8.88 2.96 0.05 -1.19 118.68 130.72 2k4v s LEU 10 Ca -0.03 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 2k4v s LEU 10 Cb -0.03 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 2k4v s LEU 10 CO 0.02 0.04 0.06 -2.28 -1.32 0.00 0.00 176.35 172.87 2k4v s HIS 11 N 0.42 3.09 -0.11 5.38 5.65 -0.33 -1.02 115.29 128.38 2k4v s HIS 11 Ca -0.07 -0.69 -0.21 0.00 0.25 0.00 0.00 55.06 54.33 2k4v s HIS 11 Cb -0.12 -2.23 -0.04 0.00 -1.18 0.00 0.00 32.58 29.02 2k4v s HIS 11 CO 0.01 -0.46 0.62 -0.51 -0.65 0.00 0.00 174.74 173.74 2k4v s LEU 12 N 1.56 4.27 0.20 8.88 1.43 -0.05 -4.27 118.68 130.69 2k4v s LEU 12 Ca 0.05 1.00 0.07 0.00 -1.03 0.00 0.00 54.13 54.22 2k4v s LEU 12 Cb -0.16 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 2k4v s LEU 12 CO 0.02 -0.11 -0.13 0.68 0.23 0.00 0.00 176.35 177.05 2k4v s VAL 13 N 0.95 1.62 0.79 -1.59 -7.23 -1.26 -1.07 120.40 112.61 2k4v s VAL 13 Ca 0.32 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 2k4v s VAL 13 Cb -0.16 -2.03 0.07 0.00 0.56 0.00 0.00 36.38 34.81 2k4v s VAL 13 CO 0.14 -0.61 1.10 -0.94 -0.31 0.00 0.00 175.10 174.48 2k4v s SER 14 N -3.29 4.55 0.40 4.85 1.04 -0.89 -4.94 113.70 115.41 2k4v s SER 14 Ca 0.22 1.28 -0.24 0.00 0.48 0.00 0.00 55.95 57.68 2k4v s SER 14 Cb 0.00 -2.01 -0.12 0.00 0.10 0.00 0.00 66.02 64.00 2k4v s SER 14 CO 0.06 -1.93 0.88 0.00 0.98 0.00 0.00 173.24 173.23 2k4v n LEU 15 N -3.40 1.76 0.00 2.42 -0.00 -1.26 -4.97 117.00 111.55 2k4v n LEU 15 Ca 0.07 1.02 0.00 0.00 -0.00 0.00 0.00 56.01 57.10 2k4v n LEU 15 Cb 0.56 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 2k4v n LEU 15 CO 0.57 -1.87 0.00 -0.81 -0.00 0.00 0.00 177.39 175.27 2k4v n PRO 16 N 0.33 2.22 0.00 1.47 -0.04 -1.26 -4.21 135.00 133.50 2k4v n PRO 16 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2k4v n PRO 16 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 2k4v n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4v n GLY 17 N 4.34 1.75 0.14 0.55 0.00 -1.26 -2.11 105.19 108.60 2k4v n GLY 17 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 2k4v n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k4v h LEU 18 N 0.00 0.12 -2.49 0.99 3.38 -2.03 -3.49 115.31 111.80 2k4v h LEU 18 Ca 0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2k4v h LEU 18 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k4v h LEU 18 CO 0.00 0.75 -0.59 -0.67 0.09 0.00 0.00 178.44 178.02 2k4v n ASP 19 N -3.78 -7.57 -0.14 -0.43 2.03 -0.90 -4.90 116.55 100.86 2k4v n ASP 19 Ca -0.02 0.40 0.09 0.00 0.52 0.00 0.00 54.79 55.78 2k4v n ASP 19 Cb 0.66 -4.82 0.42 0.00 -0.72 0.00 0.00 41.12 36.66 2k4v n ASP 19 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2k4v h GLN 20 N 1.92 0.58 -3.56 -0.67 1.08 -1.85 -3.44 115.11 109.18 2k4v h GLN 20 Ca -0.09 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 2k4v h GLN 20 Cb 1.06 -0.13 -0.14 0.00 -0.05 0.00 0.00 27.48 28.22 2k4v h GLN 20 CO 0.21 0.38 -0.22 -1.14 -0.95 0.00 0.00 178.83 177.11 2k4v s GLN 21 N -5.55 0.94 -0.38 1.46 0.74 -1.26 -5.14 119.66 110.47 2k4v s GLN 21 Ca -0.09 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.52 2k4v s GLN 21 Cb 0.20 0.40 0.10 0.00 1.10 0.00 0.00 33.01 34.80 2k4v s GLN 21 CO 0.76 -0.33 0.14 0.34 -0.55 0.00 0.00 175.29 175.66 2k4v s ASP 22 N -2.73 5.11 0.01 6.67 2.15 -1.26 -4.71 116.67 121.91 2k4v s ASP 22 Ca 0.03 -1.95 0.05 0.00 0.43 0.00 0.00 52.55 51.11 2k4v s ASP 22 Cb 0.03 -1.77 -0.03 0.00 -0.30 0.00 0.00 42.92 40.84 2k4v s ASP 22 CO -0.10 -0.47 -0.13 0.27 -0.17 0.00 0.00 175.17 174.56 2k4v s ILE 23 N 1.11 3.14 -0.21 4.11 -5.25 -1.26 -0.64 121.20 122.19 2k4v s ILE 23 Ca 0.07 -0.96 -0.04 0.00 -0.99 0.00 0.00 60.65 58.73 2k4v s ILE 23 Cb -0.22 -2.32 0.09 0.00 2.95 0.00 0.00 42.46 42.97 2k4v s ILE 23 CO -0.05 0.40 0.21 0.20 -1.79 0.00 0.00 174.94 173.91 2k4v s ASN 24 N -1.30 1.65 -0.01 4.36 0.01 -0.74 -2.10 114.94 116.80 2k4v s ASN 24 Ca 0.15 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.95 2k4v s ASN 24 Cb -0.11 0.27 -0.01 0.00 0.41 0.00 0.00 41.25 41.82 2k4v s ASN 24 CO 0.05 -0.34 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.56 2k4v s ILE 25 N 2.29 0.85 -0.36 0.60 1.01 -0.23 -1.53 121.20 123.83 2k4v s ILE 25 Ca 0.07 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 2k4v s ILE 25 Cb -0.16 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.62 2k4v s ILE 25 CO -0.15 0.24 0.19 -1.00 0.00 0.00 0.00 174.94 174.23 2k4v s HIS 26 N -0.17 3.23 -0.22 3.97 3.76 0.15 -0.88 115.29 125.13 2k4v s HIS 26 Ca 0.03 -0.92 -0.04 0.00 -0.15 0.00 0.00 55.06 53.98 2k4v s HIS 26 Cb -0.05 -2.42 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 2k4v s HIS 26 CO -0.00 -0.62 -0.04 0.42 -0.85 0.00 0.00 174.74 173.64 2k4v s ILE 27 N 1.56 3.35 -0.20 0.60 1.01 -0.19 -2.56 121.20 124.77 2k4v s ILE 27 Ca 0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 2k4v s ILE 27 Cb -0.19 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 2k4v s ILE 27 CO 0.06 0.42 -0.03 -0.13 0.00 0.00 0.00 174.94 175.26 2k4v s ARG 28 N 1.47 3.49 -0.26 2.79 3.00 -0.44 -0.77 118.95 128.24 2k4v s ARG 28 Ca 0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 55.73 55.16 2k4v s ARG 28 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 34.95 31.83 2k4v s ARG 28 CO -0.03 -0.04 -0.00 1.52 0.00 0.00 0.00 175.30 176.74 2k4v s TYR 29 N 1.09 3.08 -0.22 -0.53 1.13 -0.65 -0.89 117.35 120.36 2k4v s TYR 29 Ca 0.01 -1.23 0.01 0.00 -1.41 0.00 0.00 57.07 54.45 2k4v s TYR 29 Cb -0.15 -2.14 0.05 0.00 -1.10 0.00 0.00 41.96 38.63 2k4v s TYR 29 CO 0.00 -0.64 -0.08 -1.21 -2.51 0.00 0.00 175.55 171.12 2k4v s GLU 30 N 1.42 1.82 -0.24 -3.49 2.02 -0.40 -4.18 118.70 115.64 2k4v s GLU 30 Ca 0.02 -0.95 -0.28 0.00 0.02 0.00 0.00 54.97 53.79 2k4v s GLU 30 Cb -0.16 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.54 2k4v s GLU 30 CO -0.02 -0.53 0.98 0.08 0.02 0.00 0.00 175.26 175.80 2k4v s VAL 31 N 1.38 4.71 0.03 2.63 1.01 -1.26 -1.01 120.40 127.89 2k4v s VAL 31 Ca -0.04 1.87 0.04 0.00 0.00 0.00 0.00 61.98 63.84 2k4v s VAL 31 Cb -0.18 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2k4v s VAL 31 CO -0.07 -0.17 -0.12 -0.60 0.00 0.00 0.00 175.10 174.14 2k4v s ARG 32 N 3.13 0.79 -0.35 2.72 3.00 -0.39 -5.01 118.95 122.84 2k4v s ARG 32 Ca 0.41 -0.68 -0.11 0.00 -1.00 0.00 0.00 55.73 54.35 2k4v s ARG 32 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 34.95 34.05 2k4v s ARG 32 CO 0.07 0.18 0.20 -0.65 0.00 0.00 0.00 175.30 175.11 2k4v s GLN 33 N -1.09 3.16 -0.08 5.12 -1.52 -1.26 -1.27 119.66 122.72 2k4v s GLN 33 Ca -0.01 -0.86 -0.05 0.00 -1.95 0.00 0.00 55.36 52.49 2k4v s GLN 33 Cb -0.07 -3.71 -0.04 0.00 -0.22 0.00 0.00 33.01 28.97 2k4v s GLN 33 CO 0.01 -0.55 0.16 0.54 -0.25 0.00 0.00 175.29 175.20 2k4v s ASN 34 N 1.62 6.39 0.38 5.90 2.20 0.24 -4.97 114.94 126.70 2k4v s ASN 34 Ca 0.04 0.43 0.28 0.00 -0.94 0.00 0.00 52.86 52.67 2k4v s ASN 34 Cb -0.18 -2.05 1.17 0.00 -2.00 0.00 0.00 41.25 38.19 2k4v s ASN 34 CO 0.08 0.35 1.83 0.00 -2.94 0.00 0.00 177.10 176.42 2k4v h ALA 35 N 4.54 1.00 -0.01 3.54 0.00 -1.99 -0.67 119.26 125.66 2k4v h ALA 35 Ca -0.53 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 2k4v h ALA 35 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2k4v h ALA 35 CO 0.62 0.00 -0.33 1.49 0.00 0.00 0.00 179.25 181.04 2k4v h GLU 36 N 0.00 0.25 0.00 0.00 4.57 -2.02 -3.41 114.58 113.97 2k4v h GLU 36 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2k4v h GLU 36 Cb 0.40 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2k4v h GLU 36 CO 0.00 0.95 -0.11 0.45 -1.18 0.00 0.00 179.01 179.11 2k4v n SER 37 N -4.44 0.57 0.00 1.04 2.88 -1.22 -5.14 113.62 107.31 2k4v n SER 37 Ca -0.10 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 2k4v n SER 37 Cb 0.53 0.66 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 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 0.83 1.05 3.77 0.46 0.00 -0.26 -4.85 105.19 106.18 2k4v n GLY 38 Ca 0.00 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 2k4v n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v s ALA 39 N -2.00 3.17 0.17 4.61 0.00 -1.26 -0.60 121.76 125.85 2k4v s ALA 39 Ca 0.00 1.18 -0.10 0.00 0.00 0.00 0.00 51.96 53.04 2k4v s ALA 39 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 2k4v s ALA 39 CO 0.00 -0.82 0.30 1.52 0.00 0.00 0.00 175.76 176.76 2k4v s TYR 40 N -1.32 0.37 -0.04 0.00 1.13 -0.40 -1.12 117.35 115.97 2k4v s TYR 40 Ca 0.59 -0.73 0.03 0.00 -1.41 0.00 0.00 57.07 55.55 2k4v s TYR 40 Cb -0.36 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.48 2k4v s TYR 40 CO 0.46 -0.74 -0.11 0.08 -2.51 0.00 0.00 175.55 172.73 2k4v s VAL 41 N -3.96 0.97 -0.37 -3.49 1.01 -0.58 -1.27 120.40 112.71 2k4v s VAL 41 Ca 0.17 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 2k4v s VAL 41 Cb 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2k4v s VAL 41 CO 0.00 0.30 0.50 -2.28 0.00 0.00 0.00 175.10 173.62 2k4v s HIS 42 N 0.25 3.17 -0.31 5.22 2.46 -0.18 -2.14 115.29 123.74 2k4v s HIS 42 Ca -0.05 0.03 -0.10 0.00 0.47 0.00 0.00 55.06 55.41 2k4v s HIS 42 Cb -0.10 -2.95 -0.01 0.00 -0.13 0.00 0.00 32.58 29.39 2k4v s HIS 42 CO 0.01 -0.60 0.16 -0.06 -2.47 0.00 0.00 174.74 171.78 2k4v s PHE 43 N 2.36 3.18 -0.18 3.88 0.08 -0.25 -1.27 117.98 125.78 2k4v s PHE 43 Ca 0.17 -0.56 0.01 0.00 0.12 0.00 0.00 56.93 56.67 2k4v s PHE 43 Cb -0.16 -2.36 0.02 0.00 -0.57 0.00 0.00 43.02 39.95 2k4v s PHE 43 CO 0.14 -0.46 -0.18 0.34 -0.10 0.00 0.00 175.22 174.96 2k4v s ASP 44 N 1.62 3.13 -0.05 1.36 -1.08 -0.07 -1.35 116.67 120.23 2k4v s ASP 44 Ca 0.05 -0.67 0.04 0.00 -0.52 0.00 0.00 52.55 51.45 2k4v s ASP 44 Cb -0.17 -1.42 -0.00 0.00 -1.46 0.00 0.00 42.92 39.86 2k4v s ASP 44 CO 0.06 -0.02 -0.17 -0.04 0.52 0.00 0.00 175.17 175.52 2k4v s MET 45 N 1.32 1.80 0.24 4.34 -1.94 -0.83 -1.32 119.30 122.91 2k4v s MET 45 Ca 0.04 -0.60 -0.21 0.00 -1.71 0.00 0.00 55.69 53.22 2k4v s MET 45 Cb -0.13 -1.55 0.07 0.00 2.01 0.00 0.00 34.83 35.22 2k4v s MET 45 CO -0.12 0.23 0.95 0.16 -0.01 0.00 0.00 175.02 176.22 2k4v s ASP 46 N 0.09 -0.03 0.00 3.03 -4.77 -1.06 -1.18 116.67 112.75 2k4v s ASP 46 Ca -0.05 -0.77 0.00 0.00 -3.30 0.00 0.00 52.55 48.43 2k4v s ASP 46 Cb -0.12 0.61 0.00 0.00 -1.09 0.00 0.00 42.92 42.32 2k4v s ASP 46 CO 0.02 -1.20 0.00 0.61 0.70 0.00 0.00 175.17 175.31 2k4v n GLY 47 N -0.61 0.57 3.54 2.12 0.00 -0.74 -0.68 105.19 109.39 2k4v n GLY 47 Ca -0.05 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 1.44 -0.29 1.61 -1.05 -0.58 -1.73 118.70 118.11 2k4v s GLU 48 Ca 0.00 -1.09 0.01 0.00 -0.15 0.00 0.00 54.97 53.75 2k4v s GLU 48 Cb 0.00 0.48 0.18 0.00 -0.44 0.00 0.00 34.13 34.35 2k4v s GLU 48 CO 0.00 -0.60 0.53 0.42 0.95 0.00 0.00 175.26 176.56 2k4v s ILE 49 N -3.95 -0.87 -1.08 1.83 1.01 -0.07 -1.79 121.20 116.28 2k4v s ILE 49 Ca 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 2k4v s ILE 49 Cb -0.00 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.51 2k4v s ILE 49 CO 0.03 -0.07 0.94 0.47 0.00 0.00 0.00 174.94 176.31 2k4v n ASP 50 N 5.40 -5.26 0.00 3.58 9.92 0.18 -2.18 116.55 128.20 2k4v n ASP 50 Ca 0.01 -0.44 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 2k4v n ASP 50 Cb 0.51 -4.13 0.00 0.00 -0.64 0.00 0.00 41.12 36.86 2k4v n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k4v n GLY 51 N -1.67 2.83 3.63 0.44 0.00 -1.26 -5.00 105.19 104.15 2k4v n GLY 51 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.01 4.01 0.74 1.61 1.02 -0.93 -4.94 119.74 121.25 2k4v s LYS 52 Ca 0.00 0.85 -0.11 0.00 0.02 0.00 0.00 55.97 56.73 2k4v s LYS 52 Cb 0.00 -3.74 0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2k4v s LYS 52 CO 0.00 -0.82 1.08 -1.25 -0.92 0.00 0.00 175.35 173.44 2k4v s PRO 53 N 3.36 2.52 0.22 -1.68 0.04 -1.26 -0.90 135.00 137.31 2k4v s PRO 53 Ca 0.40 0.81 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 2k4v s PRO 53 Cb -0.13 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2k4v s PRO 53 CO 0.14 -1.35 0.62 -0.59 0.04 0.00 0.00 177.00 175.86 2k4v s PHE 54 N -3.10 -0.24 -0.21 0.56 -0.71 -0.70 -4.90 117.98 108.69 2k4v s PHE 54 Ca 0.59 -0.12 -0.08 0.00 -1.04 0.00 0.00 56.93 56.29 2k4v s PHE 54 Cb -0.14 0.55 0.09 0.00 -1.21 0.00 0.00 43.02 42.31 2k4v s PHE 54 CO 0.55 -1.03 0.45 -1.54 -1.34 0.00 0.00 175.22 172.31 2k4v s SER 55 N -2.86 -0.40 -0.12 1.98 1.04 -1.26 -1.79 113.70 110.28 2k4v s SER 55 Ca 0.08 1.06 -0.22 0.00 0.48 0.00 0.00 55.95 57.35 2k4v s SER 55 Cb -0.03 1.37 0.05 0.00 0.10 0.00 0.00 66.02 67.51 2k4v s SER 55 CO -0.01 -0.23 0.54 -0.62 0.98 0.00 0.00 173.24 173.90 2k4v s ASP 56 N 2.45 -0.51 -0.03 7.02 2.15 -0.32 -5.01 116.67 122.41 2k4v s ASP 56 Ca -0.03 0.78 -0.10 0.00 0.43 0.00 0.00 52.55 53.63 2k4v s ASP 56 Cb -0.11 0.78 0.01 0.00 -0.30 0.00 0.00 42.92 43.30 2k4v s ASP 56 CO -0.14 -0.37 0.21 -0.55 -0.17 0.00 0.00 175.17 174.16 2k4v s SER 57 N -0.49 -0.12 0.01 -0.34 0.15 -1.26 -1.96 113.70 109.69 2k4v s SER 57 Ca -0.06 0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.64 2k4v s SER 57 Cb -0.03 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.59 2k4v s SER 57 CO 0.04 -0.30 0.05 0.72 1.20 0.00 0.00 173.24 174.95 2k4v s PHE 58 N -0.88 0.15 -0.06 3.44 -0.71 -0.46 -5.02 117.98 114.44 2k4v s PHE 58 Ca -0.10 -0.34 0.05 0.00 -1.04 0.00 0.00 56.93 55.51 2k4v s PHE 58 Cb -0.05 -0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.63 2k4v s PHE 58 CO 0.02 -0.23 -0.22 -1.21 -1.34 0.00 0.00 175.22 172.23 2k4v s GLU 59 N -1.40 2.62 -0.12 1.99 8.01 -1.26 -1.09 118.70 127.45 2k4v s GLU 59 Ca -0.15 -0.86 0.02 0.00 0.01 0.00 0.00 54.97 53.99 2k4v s GLU 59 Cb -0.09 -2.24 0.01 0.00 -4.31 0.00 0.00 34.13 27.51 2k4v s GLU 59 CO 0.00 0.40 -0.16 -0.51 0.01 0.00 0.00 175.26 175.00 2k4v s LEU 60 N -0.20 1.77 1.09 1.80 1.43 -0.91 -5.01 118.68 118.66 2k4v s LEU 60 Ca -0.02 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 2k4v s LEU 60 Cb -0.13 -1.15 0.24 0.00 0.03 0.00 0.00 46.19 45.18 2k4v s LEU 60 CO 0.03 0.02 1.06 -2.16 0.23 0.00 0.00 176.35 175.53 2k4v s PRO 61 N 1.00 -0.30 0.42 1.29 0.04 -1.26 -1.52 135.00 134.66 2k4v s PRO 61 Ca -0.06 0.74 0.22 0.00 0.04 0.00 0.00 61.00 61.95 2k4v s PRO 61 Cb -0.15 -1.63 1.21 0.00 0.04 0.00 0.00 34.50 33.97 2k4v s PRO 61 CO -0.02 -3.28 1.73 -0.09 0.04 0.00 0.00 177.00 175.38 2k4v h ARG 62 N -2.30 0.28 -0.60 4.56 2.43 -1.45 0.45 114.38 117.75 2k4v h ARG 62 Ca -0.58 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.61 2k4v h ARG 62 Cb 1.33 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 2k4v h ARG 62 CO 0.53 0.19 0.40 0.22 -1.51 0.00 0.00 179.97 179.79 2k4v h ASP 63 N 0.29 0.59 0.00 -3.80 3.58 -1.91 -3.27 116.42 111.90 2k4v h ASP 63 Ca 0.65 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.10 2k4v h ASP 63 Cb 1.83 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.75 2k4v h ASP 63 CO -0.32 0.40 0.00 0.35 -2.88 0.00 0.00 179.24 176.79 2k4v n THR 64 N -4.47 0.44 -0.36 2.25 -2.24 -0.17 -4.85 114.28 104.88 2k4v n THR 64 Ca 0.08 -0.49 -0.03 0.00 -2.27 0.00 0.00 64.05 61.34 2k4v n THR 64 Cb 0.16 0.87 0.10 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.23 0.00 6.98 0.00 -0.23 -1.88 119.26 125.35 2k4v h ALA 65 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k4v h ALA 65 Cb 0.63 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k4v h ALA 65 CO 0.00 0.66 0.00 1.19 0.00 0.00 0.00 179.25 181.10 2k4v n PHE 66 N -4.37 0.44 1.94 0.00 3.72 -1.26 -2.40 117.46 115.53 2k4v n PHE 66 Ca 0.11 0.18 0.07 0.00 -0.05 0.00 0.00 57.45 57.76 2k4v n PHE 66 Cb 0.04 -0.79 0.41 0.00 -0.94 0.00 0.00 39.48 38.20 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 -1.91 0.12 0.16 4.37 3.02 -0.71 -4.14 115.26 116.18 2k4v n ASN 67 Ca 0.02 -1.58 0.03 0.00 -0.03 0.00 0.00 54.58 53.02 2k4v n ASN 67 Cb 0.17 -0.01 0.24 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.16 0.00 -0.00 3.10 -0.00 -1.65 -3.02 116.94 115.52 2k4v h PHE 68 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.97 57.84 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 0.48 -0.49 0.00 -0.00 0.00 0.00 178.31 178.31 2k4v h ALA 69 N 1.52 0.06 -0.03 12.09 0.00 -1.86 0.10 119.26 131.14 2k4v h ALA 69 Ca -0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 2k4v h ALA 69 Cb 1.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2k4v h ALA 69 CO 0.06 0.27 -0.77 0.77 0.00 0.00 0.00 179.25 179.58 2k4v h SER 70 N -0.23 0.32 0.06 0.00 0.02 -1.89 -3.10 113.55 108.72 2k4v h SER 70 Ca -0.06 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2k4v h SER 70 Cb 1.22 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2k4v h SER 70 CO 0.10 0.97 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.95 2k4v h ASP 71 N 0.17 -0.07 -0.92 3.07 3.58 -1.43 -1.41 116.42 119.41 2k4v h ASP 71 Ca -0.03 -0.54 0.13 0.00 0.42 0.00 0.00 57.03 57.01 2k4v h ASP 71 Cb 1.35 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 42.33 2k4v h ASP 71 CO 0.12 0.55 0.54 0.00 -2.88 0.00 0.00 179.24 177.57 2k4v h ALA 72 N 0.11 1.39 -0.14 -0.78 0.00 -0.93 0.17 119.26 119.09 2k4v h ALA 72 Ca -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k4v h ALA 72 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2k4v h ALA 72 CO 0.01 0.08 0.07 1.15 0.00 0.00 0.00 179.25 180.57 2k4v h THR 73 N 0.82 1.10 -0.66 0.00 2.02 -1.56 -2.10 112.91 112.54 2k4v h THR 73 Ca 0.48 -0.28 0.10 0.00 0.77 0.00 0.00 66.41 67.47 2k4v h THR 73 Cb 0.55 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 2k4v h THR 73 CO -0.30 0.09 0.27 -0.09 0.37 0.00 0.00 175.52 175.86 2k4v h ARG 74 N 0.12 0.45 -0.82 6.66 2.43 -0.47 -0.80 114.38 121.94 2k4v h ARG 74 Ca 0.05 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2k4v h ARG 74 Cb 0.08 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2k4v h ARG 74 CO -0.01 0.30 0.46 0.28 -1.51 0.00 0.00 179.97 179.49 2k4v h VAL 75 N 0.46 1.24 -0.25 0.20 2.07 -0.48 -0.72 116.25 118.77 2k4v h VAL 75 Ca 0.33 -0.58 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 2k4v h VAL 75 Cb 0.41 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2k4v h VAL 75 CO -0.31 0.27 -0.39 0.00 0.02 0.00 0.00 177.57 177.16 2k4v h ALA 76 N 1.24 0.38 0.00 1.67 0.00 -1.05 -3.21 119.26 118.29 2k4v h ALA 76 Ca 0.29 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2k4v h ALA 76 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k4v h ALA 76 CO -0.05 0.48 -0.25 1.96 0.00 0.00 0.00 179.25 181.39 2k4v h GLN 77 N 0.43 0.00 0.00 0.00 4.20 -0.72 -0.90 115.11 118.12 2k4v h GLN 77 Ca 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2k4v h GLN 77 Cb 0.98 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 2k4v h GLN 77 CO 0.09 0.25 -0.07 0.87 -0.67 0.00 0.00 178.83 179.30 2k4v h LYS 78 N 0.00 0.00 -0.41 1.46 1.57 -1.15 -2.24 116.57 115.80 2k4v h LYS 78 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2k4v h LYS 78 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2k4v h LYS 78 CO 0.03 0.07 0.03 1.58 -0.57 0.00 0.00 179.45 180.59 2k4v n HIS 79 N -3.36 1.46 -1.90 -1.35 -0.00 -0.36 -4.96 115.22 104.75 2k4v n HIS 79 Ca -0.01 -0.91 0.00 0.00 0.46 0.00 0.00 57.72 57.26 2k4v n HIS 79 Cb 0.23 -0.43 0.00 0.00 -0.12 0.00 0.00 29.99 29.67 2k4v n HIS 79 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k4v n GLY 80 N -0.17 0.95 0.14 1.57 0.00 -0.84 -4.92 105.19 101.92 2k4v n GLY 80 Ca 0.26 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2k4v n GLY 80 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k4v h LEU 81 N 0.00 0.36 -1.81 0.99 7.12 -1.62 -3.47 115.31 116.87 2k4v h LEU 81 Ca 0.00 -0.23 0.00 0.00 0.13 0.00 0.00 57.88 57.78 2k4v h LEU 81 Cb 0.77 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.80 2k4v h LEU 81 CO 0.00 0.49 -0.83 1.41 -0.13 0.00 0.00 178.44 179.38 2k4v n HIS 82 N -4.74 -3.99 -0.97 1.25 8.25 -1.26 -4.76 115.22 109.01 2k4v n HIS 82 Ca -0.03 2.37 -0.30 0.00 -0.26 0.00 0.00 57.72 59.50 2k4v n HIS 82 Cb 0.17 -3.53 -0.10 0.00 1.12 0.00 0.00 29.99 27.66 2k4v n HIS 82 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2k4v n PRO 83 N 1.51 0.00 0.10 -0.41 -0.02 -1.26 -4.85 135.00 130.07 2k4v n PRO 83 Ca -0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.37 2k4v n PRO 83 Cb 0.02 -1.00 -0.06 0.00 -0.02 0.00 0.00 33.50 32.45 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 7.60 -0.47 0.10 -0.52 3.64 -2.02 -3.25 116.57 121.66 2k4v h LYS 84 Ca -0.04 0.03 -0.35 0.00 -1.27 0.00 0.00 60.65 59.02 2k4v h LYS 84 Cb 0.88 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2k4v h LYS 84 CO 0.89 -0.31 -1.97 0.34 -2.27 0.00 0.00 179.45 176.13 2k4v n PHE 85 N -4.18 1.18 0.00 1.91 7.35 -1.26 -4.95 117.46 117.50 2k4v n PHE 85 Ca -0.06 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2k4v n PHE 85 Cb 0.25 -1.16 0.00 0.00 0.35 0.00 0.00 39.48 38.92 2k4v n PHE 85 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k4v n GLY 86 N 1.93 0.82 3.55 7.13 0.00 -1.23 -4.86 105.19 112.52 2k4v n GLY 86 Ca -0.30 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.00 2.89 0.54 4.61 0.00 -1.26 -4.81 121.76 122.73 2k4v s ALA 87 Ca 0.00 -2.43 0.36 0.00 0.00 0.00 0.00 51.96 49.89 2k4v s ALA 87 Cb 0.00 -4.49 1.97 0.00 0.00 0.00 0.00 23.12 20.61 2k4v s ALA 87 CO 0.00 -3.49 2.25 0.97 0.00 0.00 0.00 175.76 175.49 2k4v h ILE 88 N 6.48 0.26 0.00 0.00 2.10 -1.89 -1.87 117.51 122.59 2k4v h ILE 88 Ca 0.23 -0.15 -0.01 0.00 1.08 0.00 0.00 64.86 66.01 2k4v h ILE 88 Cb 0.99 1.12 -0.00 0.00 -1.09 0.00 0.00 36.82 37.83 2k4v h ILE 88 CO 1.40 0.02 -0.07 0.71 -1.08 0.00 0.00 178.15 179.13 2k4v h THR 89 N 0.00 0.30 0.00 2.19 1.35 -1.89 -2.84 112.91 112.02 2k4v h THR 89 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2k4v h THR 89 Cb 0.11 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2k4v h THR 89 CO 0.00 0.06 0.00 0.54 -0.25 0.00 0.00 175.52 175.88 2k4v n ARG 90 N -3.37 0.00 -4.36 4.72 5.12 -0.70 -4.80 116.66 113.27 2k4v n ARG 90 Ca -0.01 0.07 -0.29 0.00 -1.93 0.00 0.00 57.85 55.69 2k4v n ARG 90 Cb 0.22 -0.65 -0.12 0.00 -1.16 0.00 0.00 32.46 30.74 2k4v n ARG 90 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2k4v s VAL 91 N -0.33 2.53 -0.92 1.55 1.01 -1.25 -4.54 120.40 118.46 2k4v s VAL 91 Ca 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 61.98 60.33 2k4v s VAL 91 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2k4v s VAL 91 CO 0.00 0.10 0.24 1.41 0.00 0.00 0.00 175.10 176.85 2k4v n HIS 92 N 0.88 -0.95 -0.45 5.22 8.25 -1.26 -4.50 115.22 122.41 2k4v n HIS 92 Ca -0.17 0.21 -0.06 0.00 -0.26 0.00 0.00 57.72 57.44 2k4v n HIS 92 Cb 0.53 -2.89 0.02 0.00 1.12 0.00 0.00 29.99 28.76 2k4v n HIS 92 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2k4v n LYS 93 N -2.46 1.27 -0.91 -0.41 3.00 -1.07 -4.28 118.16 113.31 2k4v n LYS 93 Ca -0.09 -0.55 -0.17 0.00 -0.00 0.00 0.00 58.31 57.51 2k4v n LYS 93 Cb 0.58 -1.21 0.14 0.00 0.00 0.00 0.00 35.03 34.54 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 0.96 2.05 -0.01 1.64 1.02 -1.26 -4.30 120.64 120.73 2k4v n GLU 94 Ca 0.11 -2.26 0.03 0.00 -0.02 0.00 0.00 57.16 55.02 2k4v n GLU 94 Cb 0.55 -1.89 0.40 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.88 0.54 -0.37 -0.32 5.03 -1.95 -1.77 116.97 119.00 2k4v h TYR 95 Ca 0.45 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.72 2k4v h TYR 95 Cb 2.36 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 40.44 2k4v h TYR 95 CO 1.17 0.36 0.03 0.38 -1.32 0.00 0.00 178.16 178.78 2k4v h ASP 96 N 0.58 0.53 -0.02 -2.11 2.03 -1.97 0.17 116.42 115.63 2k4v h ASP 96 Ca 0.15 -0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 56.35 2k4v h ASP 96 Cb -0.04 -0.14 -0.00 0.00 -0.83 0.00 0.00 39.33 38.33 2k4v h ASP 96 CO -0.03 0.58 -0.02 0.00 -1.03 0.00 0.00 179.24 178.74 2k4v h ALA 97 N 1.49 0.03 -0.67 4.15 0.00 -1.67 -2.17 119.26 120.41 2k4v h ALA 97 Ca 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k4v h ALA 97 Cb 0.31 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2k4v h ALA 97 CO 0.01 -0.20 0.40 0.52 0.00 0.00 0.00 179.25 179.98 2k4v h MET 98 N -0.45 0.91 -0.68 0.00 2.86 -1.36 0.23 114.93 116.44 2k4v h MET 98 Ca 0.00 -0.09 0.14 0.00 -2.06 0.00 0.00 59.70 57.70 2k4v h MET 98 Cb 0.54 -0.19 -0.10 0.00 0.06 0.00 0.00 31.60 31.90 2k4v h MET 98 CO 0.01 0.65 0.12 0.35 1.06 0.00 0.00 176.91 179.10 2k4v h PHE 99 N 0.91 0.18 0.00 -0.22 3.04 -1.00 -1.77 116.94 118.08 2k4v h PHE 99 Ca 0.24 0.04 -0.12 0.00 3.98 0.00 0.00 57.97 62.11 2k4v h PHE 99 Cb -0.02 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 2k4v h PHE 99 CO -0.01 -0.09 -0.59 0.93 -2.02 0.00 0.00 178.31 176.53 2k4v h GLU 100 N 0.23 0.00 0.58 1.11 5.08 -0.80 -2.33 114.58 118.45 2k4v h GLU 100 Ca 0.37 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 2k4v h GLU 100 Cb 0.61 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.87 2k4v h GLU 100 CO -0.49 0.58 -0.28 0.22 -1.00 0.00 0.00 179.01 178.04 2k4v h ASP 101 N 0.00 -0.66 -0.87 1.42 3.58 -0.18 -2.04 116.42 117.67 2k4v h ASP 101 Ca -0.01 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2k4v h ASP 101 Cb 1.45 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 42.63 2k4v h ASP 101 CO 0.08 -0.28 0.54 0.40 -2.88 0.00 0.00 179.24 177.10 2k4v h ILE 102 N -1.13 1.23 -0.02 2.25 2.04 -1.45 -2.43 117.51 118.01 2k4v h ILE 102 Ca -0.08 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 2k4v h ILE 102 Cb 0.64 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2k4v h ILE 102 CO 0.13 0.24 -0.22 0.08 0.00 0.00 0.00 178.15 178.38 2k4v h ARG 103 N 1.18 0.03 -0.08 2.37 -0.00 -1.47 0.07 114.38 116.47 2k4v h ARG 103 Ca 0.31 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.98 60.24 2k4v h ARG 103 Cb -0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.88 2k4v h ARG 103 CO -0.06 0.25 -0.15 0.00 -0.00 0.00 0.00 179.97 180.01 2k4v h ALA 104 N 1.75 0.13 -0.02 0.08 0.00 -1.07 -2.77 119.26 117.36 2k4v h ALA 104 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 2k4v h ALA 104 Cb 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k4v h ALA 104 CO 0.03 0.03 -0.48 -0.22 0.00 0.00 0.00 179.25 178.60 2k4v h LYS 105 N -0.22 0.05 0.00 0.00 3.11 -1.22 -2.62 116.57 115.67 2k4v h LYS 105 Ca 0.00 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 2k4v h LYS 105 Cb 0.73 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.95 2k4v h LYS 105 CO 0.03 0.53 -0.07 -0.07 -2.81 0.00 0.00 179.45 177.06 2k4v h LEU 106 N 0.04 0.00 -0.57 5.20 4.07 -0.98 -0.81 115.31 122.26 2k4v h LEU 106 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k4v h LEU 106 Cb 0.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.61 2k4v h LEU 106 CO 0.07 0.07 0.00 -0.74 -1.08 0.00 0.00 178.44 176.76 2k4v h HIS 107 N 0.00 0.00 0.00 1.13 2.76 -1.16 -3.45 115.15 114.43 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 0.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.21 2k4v h HIS 107 CO 0.00 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.63 2k4v n ALA 108 N -1.81 0.00 -3.53 5.26 0.00 -0.31 -4.99 120.51 115.14 2k4v n ALA 108 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 2k4v n ALA 108 Cb 0.29 -0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 2k4v n ALA 108 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2k4v s HIS 109 N -2.80 -0.52 -1.05 0.00 3.76 -1.25 -5.05 115.29 108.37 2k4v s HIS 109 Ca 0.00 1.18 -0.24 0.00 -0.15 0.00 0.00 55.06 55.85 2k4v s HIS 109 Cb 0.00 0.21 -0.08 0.00 1.11 0.00 0.00 32.58 33.82 2k4v s HIS 109 CO 0.00 -0.28 1.96 -1.25 -0.85 0.00 0.00 174.74 174.32 2k4v s PRO 110 N 0.90 2.42 -0.83 8.40 0.04 -1.26 -4.47 135.00 140.20 2k4v s PRO 110 Ca -0.06 -0.72 -0.05 0.00 0.04 0.00 0.00 61.00 60.21 2k4v s PRO 110 Cb -0.06 -5.14 0.03 0.00 0.04 0.00 0.00 34.50 29.37 2k4v s PRO 110 CO -0.07 -3.83 2.75 0.41 0.04 0.00 0.00 177.00 176.29 2k4v n GLY 111 N 6.28 4.51 3.85 0.56 0.00 -1.25 -4.97 105.19 114.17 2k4v n GLY 111 Ca 0.43 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.83 3.88 0.15 1.61 -1.05 -1.26 -4.71 118.70 116.49 2k4v s GLU 112 Ca 0.59 0.34 -0.31 0.00 -0.15 0.00 0.00 54.97 55.45 2k4v s GLU 112 Cb 0.28 -3.05 -0.08 0.00 -0.44 0.00 0.00 34.13 30.84 2k4v s GLU 112 CO -0.13 0.58 1.33 -1.25 0.95 0.00 0.00 175.26 176.74 2k4v s PRO 113 N -1.66 4.37 -0.15 -4.83 0.04 -1.26 -5.01 135.00 126.50 2k4v s PRO 113 Ca 0.31 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 2k4v s PRO 113 Cb -0.15 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 2k4v s PRO 113 CO 0.17 -0.32 1.16 0.54 0.04 0.00 0.00 177.00 178.59 2k4v s VAL 114 N 0.58 4.43 -0.11 -0.36 0.11 -1.26 -4.94 120.40 118.86 2k4v s VAL 114 Ca 0.60 1.73 0.25 0.00 -2.93 0.00 0.00 61.98 61.64 2k4v s VAL 114 Cb -0.36 -4.12 0.30 0.00 -1.53 0.00 0.00 36.38 30.67 2k4v s VAL 114 CO 0.34 -0.10 1.75 -0.78 -3.33 0.00 0.00 175.10 172.98 2k4v h ASP 115 N 7.72 0.00 -0.03 3.54 3.58 -2.03 -3.07 116.42 126.13 2k4v h ASP 115 Ca -0.27 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.19 2k4v h ASP 115 Cb 1.11 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2k4v h ASP 115 CO 0.94 0.12 0.03 0.17 -2.88 0.00 0.00 179.24 177.62 2k4v h LEU 116 N 0.00 0.00 -1.11 2.28 8.10 -1.99 -0.59 115.31 121.99 2k4v h LEU 116 Ca -0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.93 2k4v h LEU 116 Cb 0.84 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.04 2k4v h LEU 116 CO 0.02 0.00 0.04 -0.08 -4.11 0.00 0.00 178.44 174.30 2k4v h GLU 117 N 0.00 0.66 0.00 0.17 4.57 -1.82 -3.06 114.58 115.11 2k4v h GLU 117 Ca 0.02 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 2k4v h GLU 117 Cb 0.08 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2k4v h GLU 117 CO -0.00 0.65 -0.28 -0.09 -1.18 0.00 0.00 179.01 178.11 2k4v h ARG 118 N 0.63 0.00 0.21 1.92 9.65 -1.29 -3.15 114.38 122.35 2k4v h ARG 118 Ca 0.13 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 2k4v h ARG 118 Cb 0.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2k4v h ARG 118 CO 0.01 0.28 -0.10 0.82 2.80 0.00 0.00 179.97 183.78 2k4v h ILE 119 N 0.00 0.35 -3.63 1.20 5.03 -1.61 -3.42 117.51 115.43 2k4v h ILE 119 Ca -0.00 -0.95 -0.68 0.00 -0.12 0.00 0.00 64.86 63.11 2k4v h ILE 119 Cb 0.61 0.61 -0.37 0.00 -3.03 0.00 0.00 36.82 34.64 2k4v h ILE 119 CO 0.04 0.10 -0.66 -0.63 -0.68 0.00 0.00 178.15 176.32 2k4v s ILE 120 N -2.85 2.75 -0.12 -0.67 1.01 -1.19 -4.94 121.20 115.19 2k4v s ILE 120 Ca -0.08 -2.07 -0.13 0.00 0.00 0.00 0.00 60.65 58.36 2k4v s ILE 120 Cb 0.00 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2k4v s ILE 120 CO 0.27 -0.54 -0.26 0.54 0.00 0.00 0.00 174.94 174.96 2k4v n ARG 121 N 4.44 0.40 -3.57 2.79 1.74 -1.21 -4.71 116.66 116.54 2k4v n ARG 121 Ca -0.02 0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 57.10 2k4v n ARG 121 Cb 0.42 -1.19 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 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 -2.57 -0.43 -0.48 -1.55 5.04 -1.26 -5.12 115.29 108.93 2k4v s HIS 122 Ca -0.22 0.74 -0.27 0.00 -1.54 0.00 0.00 55.06 53.77 2k4v s HIS 122 Cb 0.03 0.44 -0.03 0.00 0.04 0.00 0.00 32.58 33.06 2k4v s HIS 122 CO 0.32 -0.39 1.91 -1.21 -2.34 0.00 0.00 174.74 173.03 2k4v s GLU 123 N -1.09 2.85 0.55 2.88 0.41 -1.26 -4.87 118.70 118.17 2k4v s GLU 123 Ca -0.03 1.05 0.25 0.00 -0.41 0.00 0.00 54.97 55.83 2k4v s GLU 123 Cb -0.00 -4.34 1.56 0.00 -1.78 0.00 0.00 34.13 29.57 2k4v s GLU 123 CO 0.03 -2.44 2.17 0.78 -0.49 0.00 0.00 175.26 175.31 2k4v h GLY 124 N 15.71 0.00 -0.17 -1.39 0.00 -2.04 -3.57 103.07 111.60 2k4v h GLY 124 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2k4v h GLY 124 CO 1.13 0.00 0.00 1.44 0.00 0.00 0.00 176.54 179.11