#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 -1.65 0.00 2.61 0.00 -1.26 -4.83 105.19 100.06 2k4v n GLY 2 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2k4v n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k4v n HIS 3 N 0.46 0.00 -3.84 1.61 -0.00 -1.13 -4.78 115.22 107.53 2k4v n HIS 3 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 2k4v n HIS 3 Cb 0.00 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.72 2k4v n HIS 3 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2k4v s MET 4 N -1.03 1.06 0.04 1.57 -1.94 -0.35 -5.04 119.30 113.61 2k4v s MET 4 Ca 0.00 -1.19 0.03 0.00 -1.71 0.00 0.00 55.69 52.82 2k4v s MET 4 Cb 0.00 -2.39 -0.04 0.00 2.01 0.00 0.00 34.83 34.41 2k4v s MET 4 CO 0.00 -0.88 -0.01 0.12 -0.01 0.00 0.00 175.02 174.25 2k4v s PHE 5 N 1.43 3.02 0.06 -0.03 5.36 -1.26 -0.45 117.98 126.09 2k4v s PHE 5 Ca 0.06 0.02 -0.17 0.00 -0.96 0.00 0.00 56.93 55.88 2k4v s PHE 5 Cb -0.18 -1.60 0.03 0.00 -0.34 0.00 0.00 43.02 40.93 2k4v s PHE 5 CO -0.16 0.46 0.38 -1.83 -1.46 0.00 0.00 175.22 172.61 2k4v s GLU 6 N -1.88 0.92 -0.80 10.12 -1.05 -0.51 -5.02 118.70 120.48 2k4v s GLU 6 Ca 0.22 -0.45 -0.26 0.00 -0.15 0.00 0.00 54.97 54.33 2k4v s GLU 6 Cb -0.12 0.41 -0.11 0.00 -0.44 0.00 0.00 34.13 33.87 2k4v s GLU 6 CO 0.14 -0.32 2.29 -1.25 0.95 0.00 0.00 175.26 177.06 2k4v s PRO 7 N -2.70 1.88 0.00 -4.83 0.04 -1.26 -2.03 135.00 126.10 2k4v s PRO 7 Ca -0.04 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.36 2k4v s PRO 7 Cb -0.00 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.70 2k4v s PRO 7 CO -0.04 -4.09 0.00 0.41 0.04 0.00 0.00 177.00 173.32 2k4v n GLY 8 N 6.75 1.28 3.26 0.56 0.00 -1.26 -5.13 105.19 110.66 2k4v n GLY 8 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.21 -0.19 -0.17 1.61 5.65 -0.86 -3.26 115.29 117.85 2k4v s HIS 9 Ca 0.00 0.23 -0.03 0.00 0.25 0.00 0.00 55.06 55.52 2k4v s HIS 9 Cb 0.00 0.12 0.05 0.00 -1.18 0.00 0.00 32.58 31.58 2k4v s HIS 9 CO 0.00 -0.45 0.03 -1.17 -0.65 0.00 0.00 174.74 172.51 2k4v s LEU 10 N -1.56 1.04 -0.20 8.88 2.96 0.11 -1.42 118.68 128.47 2k4v s LEU 10 Ca -0.11 -0.69 -0.12 0.00 -0.22 0.00 0.00 54.13 53.00 2k4v s LEU 10 Cb -0.03 -0.55 -0.05 0.00 0.50 0.00 0.00 46.19 46.06 2k4v s LEU 10 CO 0.02 -0.29 0.21 -2.28 -1.32 0.00 0.00 176.35 172.69 2k4v s HIS 11 N 1.89 3.39 -0.08 5.38 5.65 0.40 -0.49 115.29 131.43 2k4v s HIS 11 Ca 0.00 0.39 0.05 0.00 0.25 0.00 0.00 55.06 55.75 2k4v s HIS 11 Cb -0.16 -2.28 -0.00 0.00 -1.18 0.00 0.00 32.58 28.95 2k4v s HIS 11 CO -0.08 0.17 -0.23 -0.48 -0.65 0.00 0.00 174.74 173.48 2k4v s LEU 12 N 0.72 2.04 0.25 8.88 2.34 -0.86 -1.20 118.68 130.84 2k4v s LEU 12 Ca 0.11 -0.51 0.05 0.00 0.06 0.00 0.00 54.13 53.84 2k4v s LEU 12 Cb -0.13 -1.32 -0.05 0.00 -0.56 0.00 0.00 46.19 44.13 2k4v s LEU 12 CO 0.03 0.18 -0.03 0.68 -1.06 0.00 0.00 176.35 176.15 2k4v s VAL 13 N 0.15 1.27 -0.26 1.48 -7.23 -1.26 -1.90 120.40 112.65 2k4v s VAL 13 Ca -0.12 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 57.96 2k4v s VAL 13 Cb -0.16 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.43 2k4v s VAL 13 CO 0.06 -0.33 -0.03 -0.55 -0.31 0.00 0.00 175.10 173.95 2k4v s SER 14 N -3.35 4.52 0.36 4.85 0.15 -1.25 -4.63 113.70 114.34 2k4v s SER 14 Ca 0.28 -0.83 -0.28 0.00 0.70 0.00 0.00 55.95 55.82 2k4v s SER 14 Cb 0.05 -1.72 -0.11 0.00 -1.71 0.00 0.00 66.02 62.53 2k4v s SER 14 CO 0.10 -0.14 1.42 -0.76 1.20 0.00 0.00 173.24 175.05 2k4v s LEU 15 N 1.37 4.36 0.00 3.45 1.43 -1.26 -4.62 118.68 123.42 2k4v s LEU 15 Ca 0.01 2.91 -0.01 0.00 -1.03 0.00 0.00 54.13 56.01 2k4v s LEU 15 Cb -0.17 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.39 2k4v s LEU 15 CO -0.03 -0.75 1.02 1.55 0.23 0.00 0.00 176.35 178.38 2k4v h PRO 16 N 3.17 -0.01 0.00 1.29 0.13 -1.87 -3.39 132.00 131.32 2k4v h PRO 16 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k4v h PRO 16 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k4v h PRO 16 CO 0.65 -0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 2k4v n GLY 17 N -1.01 0.48 0.14 1.56 0.00 -1.26 -1.58 105.19 103.51 2k4v n GLY 17 Ca -0.00 0.68 -0.22 0.00 0.00 0.00 0.00 46.02 46.48 2k4v n GLY 17 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2k4v h LEU 18 N 0.00 0.48 -7.00 0.99 -0.00 -1.89 -3.49 115.31 104.40 2k4v h LEU 18 Ca 0.00 -0.95 0.05 0.00 -0.00 0.00 0.00 57.88 56.97 2k4v h LEU 18 Cb 0.00 -0.16 -0.25 0.00 -0.00 0.00 0.00 40.66 40.25 2k4v h LEU 18 CO 0.00 1.84 0.42 -1.81 -0.00 0.00 0.00 178.44 178.89 2k4v s ASP 19 N -7.12 -0.49 -1.17 0.17 1.01 -0.62 -5.10 116.67 103.35 2k4v s ASP 19 Ca -0.20 0.88 -0.19 0.00 0.71 0.00 0.00 52.55 53.74 2k4v s ASP 19 Cb 0.06 0.88 0.08 0.00 1.01 0.00 0.00 42.92 44.94 2k4v s ASP 19 CO 0.79 -0.20 1.58 -1.58 0.21 0.00 0.00 175.17 175.97 2k4v s GLN 20 N 0.04 3.84 0.19 8.23 0.74 -1.26 -4.47 119.66 126.98 2k4v s GLN 20 Ca 0.02 -1.73 -0.24 0.00 0.05 0.00 0.00 55.36 53.45 2k4v s GLN 20 Cb -0.04 -5.40 -0.08 0.00 1.10 0.00 0.00 33.01 28.59 2k4v s GLN 20 CO -0.04 -2.17 0.79 -1.14 -0.55 0.00 0.00 175.29 172.18 2k4v s GLN 21 N 4.16 4.52 -1.34 1.67 0.74 -1.26 -4.99 119.66 123.15 2k4v s GLN 21 Ca 0.49 1.12 -0.08 0.00 0.05 0.00 0.00 55.36 56.94 2k4v s GLN 21 Cb 0.01 -3.14 0.12 0.00 1.10 0.00 0.00 33.01 31.10 2k4v s GLN 21 CO 0.00 0.51 2.17 -3.47 -0.55 0.00 0.00 175.29 173.95 2k4v n ASP 22 N 1.32 6.29 -4.69 6.67 2.03 -1.26 -4.57 116.55 122.34 2k4v n ASP 22 Ca -0.04 -3.05 -0.38 0.00 0.52 0.00 0.00 54.79 51.83 2k4v n ASP 22 Cb 0.49 -1.46 -0.07 0.00 -0.72 0.00 0.00 41.12 39.36 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 0.27 5.17 -0.25 5.18 -5.25 -1.26 -0.73 121.20 124.33 2k4v s ILE 23 Ca 0.48 0.87 -0.03 0.00 -0.99 0.00 0.00 60.65 60.98 2k4v s ILE 23 Cb 0.14 -3.79 0.14 0.00 2.95 0.00 0.00 42.46 41.89 2k4v s ILE 23 CO -0.04 0.26 0.39 0.54 -1.79 0.00 0.00 174.94 174.30 2k4v s ASN 24 N 0.90 0.14 -0.02 4.36 2.20 -0.92 -3.86 114.94 117.74 2k4v s ASN 24 Ca 0.23 0.27 0.03 0.00 -0.94 0.00 0.00 52.86 52.45 2k4v s ASN 24 Cb -0.15 1.18 -0.00 0.00 -2.00 0.00 0.00 41.25 40.28 2k4v s ASN 24 CO 0.09 -0.30 -0.09 -0.63 -2.94 0.00 0.00 177.10 173.23 2k4v s ILE 25 N 2.57 0.78 -0.21 0.54 1.01 -0.80 -2.26 121.20 122.83 2k4v s ILE 25 Ca 0.13 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 2k4v s ILE 25 Cb -0.15 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 2k4v s ILE 25 CO -0.16 0.23 0.16 -1.00 0.00 0.00 0.00 174.94 174.17 2k4v s HIS 26 N -0.01 3.39 -0.25 3.97 3.76 -0.01 -2.04 115.29 124.10 2k4v s HIS 26 Ca 0.00 0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.26 2k4v s HIS 26 Cb -0.06 -2.21 0.06 0.00 1.11 0.00 0.00 32.58 31.47 2k4v s HIS 26 CO 0.00 0.22 -0.09 0.42 -0.85 0.00 0.00 174.74 174.44 2k4v s ILE 27 N 0.59 1.96 -0.22 0.60 1.01 0.36 -2.61 121.20 122.88 2k4v s ILE 27 Ca 0.09 -1.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.07 2k4v s ILE 27 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2k4v s ILE 27 CO 0.01 -0.07 0.32 -0.13 0.00 0.00 0.00 174.94 175.06 2k4v s ARG 28 N 1.19 4.13 -0.25 2.79 0.52 -0.64 -0.72 118.95 125.98 2k4v s ARG 28 Ca -0.07 0.05 -0.04 0.00 -0.52 0.00 0.00 55.73 55.14 2k4v s ARG 28 Cb -0.20 -3.55 0.01 0.00 0.52 0.00 0.00 34.95 31.74 2k4v s ARG 28 CO -0.06 -0.02 -0.01 1.52 0.02 0.00 0.00 175.30 176.75 2k4v s TYR 29 N 1.29 3.05 -0.22 -0.53 1.13 -1.20 -1.17 117.35 119.70 2k4v s TYR 29 Ca 0.15 -1.12 0.01 0.00 -1.41 0.00 0.00 57.07 54.70 2k4v s TYR 29 Cb -0.14 -2.14 0.05 0.00 -1.10 0.00 0.00 41.96 38.63 2k4v s TYR 29 CO 0.07 -0.61 -0.08 -1.21 -2.51 0.00 0.00 175.55 171.21 2k4v s GLU 30 N 1.44 1.86 -0.03 -3.49 2.02 -0.62 -4.81 118.70 115.07 2k4v s GLU 30 Ca 0.03 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 2k4v s GLU 30 Cb -0.16 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 2k4v s GLU 30 CO -0.02 -0.51 1.17 0.08 0.02 0.00 0.00 175.26 176.00 2k4v s VAL 31 N 1.38 4.30 0.04 2.63 1.01 -1.26 -0.98 120.40 127.51 2k4v s VAL 31 Ca -0.04 1.63 -0.06 0.00 0.00 0.00 0.00 61.98 63.51 2k4v s VAL 31 Cb -0.18 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2k4v s VAL 31 CO -0.07 0.04 0.10 -0.60 0.00 0.00 0.00 175.10 174.57 2k4v s ARG 32 N 1.86 0.59 -0.22 2.72 3.00 -0.81 -4.98 118.95 121.12 2k4v s ARG 32 Ca 0.56 -0.74 -0.13 0.00 -1.00 0.00 0.00 55.73 54.41 2k4v s ARG 32 Cb -0.25 0.23 -0.04 0.00 0.00 0.00 0.00 34.95 34.89 2k4v s ARG 32 CO 0.24 -0.15 0.28 -0.65 0.00 0.00 0.00 175.30 175.02 2k4v s GLN 33 N -2.60 4.13 0.01 5.12 -1.52 -1.26 -1.64 119.66 121.91 2k4v s GLN 33 Ca -0.05 -0.02 -0.02 0.00 -1.95 0.00 0.00 55.36 53.32 2k4v s GLN 33 Cb -0.01 -3.53 -0.04 0.00 -0.22 0.00 0.00 33.01 29.21 2k4v s GLN 33 CO -0.04 0.03 0.19 0.54 -0.25 0.00 0.00 175.29 175.75 2k4v s ASN 34 N 1.00 6.35 0.05 5.90 2.20 0.13 -4.96 114.94 125.61 2k4v s ASN 34 Ca 0.14 0.32 0.19 0.00 -0.94 0.00 0.00 52.86 52.56 2k4v s ASN 34 Cb -0.14 -1.98 0.78 0.00 -2.00 0.00 0.00 41.25 37.90 2k4v s ASN 34 CO 0.06 0.24 1.58 0.00 -2.94 0.00 0.00 177.10 176.04 2k4v n ALA 35 N 0.79 1.78 0.02 3.54 0.00 -1.26 -1.77 120.51 123.61 2k4v n ALA 35 Ca -0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 2k4v n ALA 35 Cb 0.52 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 2k4v n ALA 35 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k4v h GLU 36 N 0.00 -0.15 0.00 0.00 4.81 -1.99 -3.42 114.58 113.84 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 0.32 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2k4v h GLU 36 CO 0.00 0.28 0.00 -1.13 -0.73 0.00 0.00 179.01 177.43 2k4v n SER 37 N -4.85 0.58 0.00 1.04 3.41 -1.24 -5.10 113.62 107.46 2k4v n SER 37 Ca -0.06 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2k4v n SER 37 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2k4v n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k4v n GLY 38 N -0.05 1.24 3.78 5.00 0.00 -0.73 -4.91 105.19 109.53 2k4v n GLY 38 Ca 0.00 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.40 3.04 0.30 4.61 0.00 -1.26 0.22 121.76 127.26 2k4v s ALA 39 Ca 0.00 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 2k4v s ALA 39 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.86 2k4v s ALA 39 CO 0.00 -0.24 0.55 1.52 0.00 0.00 0.00 175.76 177.59 2k4v s TYR 40 N -1.72 0.45 -0.06 0.00 1.13 -0.65 -1.85 117.35 114.66 2k4v s TYR 40 Ca 0.60 -0.84 0.02 0.00 -1.41 0.00 0.00 57.07 55.44 2k4v s TYR 40 Cb -0.21 0.27 0.01 0.00 -1.10 0.00 0.00 41.96 40.93 2k4v s TYR 40 CO 0.26 -1.14 -0.12 0.08 -2.51 0.00 0.00 175.55 172.11 2k4v s VAL 41 N -3.49 1.14 -0.43 -3.49 1.01 -0.68 -1.92 120.40 112.53 2k4v s VAL 41 Ca 0.22 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 2k4v s VAL 41 Cb -0.02 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2k4v s VAL 41 CO 0.12 0.35 0.75 -2.28 0.00 0.00 0.00 175.10 174.04 2k4v s HIS 42 N 0.58 3.03 -0.07 5.22 2.46 -0.15 -2.47 115.29 123.89 2k4v s HIS 42 Ca -0.13 0.19 -0.11 0.00 0.47 0.00 0.00 55.06 55.48 2k4v s HIS 42 Cb -0.15 -3.54 -0.05 0.00 -0.13 0.00 0.00 32.58 28.71 2k4v s HIS 42 CO 0.03 -0.91 0.28 -0.06 -2.47 0.00 0.00 174.74 171.61 2k4v s PHE 43 N 3.15 3.65 -0.05 3.88 0.08 -0.15 -1.58 117.98 126.96 2k4v s PHE 43 Ca 0.28 0.76 0.01 0.00 0.12 0.00 0.00 56.93 58.10 2k4v s PHE 43 Cb -0.13 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2k4v s PHE 43 CO 0.21 0.66 -0.03 0.34 -0.10 0.00 0.00 175.22 176.30 2k4v s ASP 44 N -0.95 0.99 -0.08 1.36 2.15 -0.32 -1.78 116.67 118.04 2k4v s ASP 44 Ca 0.19 -0.11 0.04 0.00 0.43 0.00 0.00 52.55 53.10 2k4v s ASP 44 Cb -0.14 -0.42 0.00 0.00 -0.30 0.00 0.00 42.92 42.06 2k4v s ASP 44 CO 0.08 -0.08 -0.19 -0.04 -0.17 0.00 0.00 175.17 174.77 2k4v s MET 45 N 1.11 2.36 0.16 4.34 -1.94 0.08 -1.61 119.30 123.80 2k4v s MET 45 Ca -0.08 -0.68 -0.23 0.00 -1.71 0.00 0.00 55.69 52.99 2k4v s MET 45 Cb -0.14 -1.87 0.06 0.00 2.01 0.00 0.00 34.83 34.90 2k4v s MET 45 CO -0.01 0.15 0.67 0.16 -0.01 0.00 0.00 175.02 175.98 2k4v s ASP 46 N 0.37 -0.48 0.00 3.03 -4.77 -1.07 -1.26 116.67 112.49 2k4v s ASP 46 Ca -0.14 -0.13 0.00 0.00 -3.30 0.00 0.00 52.55 48.98 2k4v s ASP 46 Cb -0.16 0.60 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 2k4v s ASP 46 CO 0.06 -1.00 0.00 0.61 0.70 0.00 0.00 175.17 175.54 2k4v n GLY 47 N -0.38 0.05 3.57 2.12 0.00 -1.09 -0.83 105.19 108.62 2k4v n GLY 47 Ca -0.13 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 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 1.45 -0.28 1.61 -1.05 -0.96 -2.14 118.70 117.33 2k4v s GLU 48 Ca 0.00 -0.87 0.02 0.00 -0.15 0.00 0.00 54.97 53.97 2k4v s GLU 48 Cb 0.00 0.54 0.17 0.00 -0.44 0.00 0.00 34.13 34.40 2k4v s GLU 48 CO 0.00 -0.63 0.50 0.42 0.95 0.00 0.00 175.26 176.50 2k4v s ILE 49 N -3.88 -0.81 -1.46 1.83 1.01 -0.21 -2.16 121.20 115.52 2k4v s ILE 49 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 2k4v s ILE 49 Cb -0.02 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.50 2k4v s ILE 49 CO -0.01 -0.11 0.88 0.47 0.00 0.00 0.00 174.94 176.16 2k4v n ASP 50 N 5.39 -6.26 0.00 3.58 9.92 0.09 -2.32 116.55 126.96 2k4v n ASP 50 Ca 0.01 -0.40 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 2k4v n ASP 50 Cb 0.51 -4.98 0.00 0.00 -0.64 0.00 0.00 41.12 36.01 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 -1.75 3.00 3.66 0.44 0.00 -1.26 -5.00 105.19 104.28 2k4v n GLY 51 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.09 4.26 0.67 1.61 1.02 -0.98 -4.92 119.74 121.31 2k4v s LYS 52 Ca 0.00 1.38 -0.13 0.00 0.02 0.00 0.00 55.97 57.24 2k4v s LYS 52 Cb 0.00 -3.64 -0.00 0.00 -0.52 0.00 0.00 37.83 33.67 2k4v s LYS 52 CO 0.00 -0.62 1.08 -1.25 -0.92 0.00 0.00 175.35 173.63 2k4v s PRO 53 N 3.17 2.91 0.15 -1.68 0.04 -1.26 -1.04 135.00 137.29 2k4v s PRO 53 Ca 0.45 1.18 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 2k4v s PRO 53 Cb -0.16 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.44 2k4v s PRO 53 CO 0.07 -1.13 0.45 -0.59 0.04 0.00 0.00 177.00 175.84 2k4v s PHE 54 N -2.66 -0.19 -0.11 0.56 -0.71 -0.91 -4.92 117.98 109.04 2k4v s PHE 54 Ca 0.62 -0.12 -0.03 0.00 -1.04 0.00 0.00 56.93 56.36 2k4v s PHE 54 Cb -0.17 0.32 0.05 0.00 -1.21 0.00 0.00 43.02 42.01 2k4v s PHE 54 CO 0.46 -0.78 0.12 -1.54 -1.34 0.00 0.00 175.22 172.14 2k4v s SER 55 N -2.82 1.32 -0.03 1.98 1.04 -1.26 -2.68 113.70 111.24 2k4v s SER 55 Ca 0.05 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.38 2k4v s SER 55 Cb 0.01 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.19 2k4v s SER 55 CO -0.09 -0.28 0.14 -0.62 0.98 0.00 0.00 173.24 173.37 2k4v s ASP 56 N 2.23 -0.07 -0.01 7.02 -1.08 -0.39 -5.03 116.67 119.32 2k4v s ASP 56 Ca 0.04 0.08 -0.12 0.00 -0.52 0.00 0.00 52.55 52.02 2k4v s ASP 56 Cb -0.13 0.27 0.02 0.00 -1.46 0.00 0.00 42.92 41.61 2k4v s ASP 56 CO -0.07 -0.19 0.26 -0.94 0.52 0.00 0.00 175.17 174.75 2k4v s SER 57 N -0.56 -0.13 0.02 -0.34 1.04 -1.26 -0.74 113.70 111.73 2k4v s SER 57 Ca -0.06 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 2k4v s SER 57 Cb -0.04 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 2k4v s SER 57 CO 0.01 -0.41 0.02 0.72 0.98 0.00 0.00 173.24 174.56 2k4v s PHE 58 N -1.29 0.23 -0.07 5.02 -0.71 -0.74 -5.01 117.98 115.42 2k4v s PHE 58 Ca -0.13 -0.48 0.04 0.00 -1.04 0.00 0.00 56.93 55.32 2k4v s PHE 58 Cb -0.06 -0.17 -0.00 0.00 -1.21 0.00 0.00 43.02 41.58 2k4v s PHE 58 CO 0.03 -0.25 -0.21 -1.21 -1.34 0.00 0.00 175.22 172.25 2k4v s GLU 59 N -1.77 2.42 -0.02 1.99 2.02 -1.26 -0.98 118.70 121.10 2k4v s GLU 59 Ca -0.13 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.16 2k4v s GLU 59 Cb -0.07 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2k4v s GLU 59 CO -0.02 0.22 -0.16 -0.51 0.02 0.00 0.00 175.26 174.82 2k4v s LEU 60 N 0.19 2.00 0.85 1.80 1.43 -1.03 -5.01 118.68 118.91 2k4v s LEU 60 Ca -0.11 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2k4v s LEU 60 Cb -0.15 -0.84 0.10 0.00 0.03 0.00 0.00 46.19 45.33 2k4v s LEU 60 CO 0.05 0.19 1.15 -2.16 0.23 0.00 0.00 176.35 175.81 2k4v s PRO 61 N -0.29 1.50 0.46 1.29 0.04 -1.26 -1.69 135.00 135.05 2k4v s PRO 61 Ca 0.04 1.54 0.34 0.00 0.04 0.00 0.00 61.00 62.97 2k4v s PRO 61 Cb -0.07 -1.78 1.50 0.00 0.04 0.00 0.00 34.50 34.19 2k4v s PRO 61 CO -0.00 -2.28 1.61 0.07 0.04 0.00 0.00 177.00 176.44 2k4v h ARG 62 N -1.36 0.04 0.00 4.56 0.11 -1.69 0.10 114.38 116.14 2k4v h ARG 62 Ca -0.44 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2k4v h ARG 62 Cb 1.27 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2k4v h ARG 62 CO 0.45 0.03 0.00 0.22 0.10 0.00 0.00 179.97 180.77 2k4v h ASP 63 N 0.05 0.00 0.00 0.08 3.58 -1.91 -3.19 116.42 115.02 2k4v h ASP 63 Ca 0.85 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.30 2k4v h ASP 63 Cb 2.85 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.90 2k4v h ASP 63 CO -0.35 0.00 -0.00 0.35 -2.88 0.00 0.00 179.24 176.35 2k4v n THR 64 N -3.07 0.42 -0.18 2.25 -2.24 -0.12 -4.83 114.28 106.51 2k4v n THR 64 Ca 0.01 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 2k4v n THR 64 Cb 0.32 0.79 0.01 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.66 0.00 6.98 0.00 -0.88 -2.02 119.26 124.00 2k4v h ALA 65 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2k4v h ALA 65 Cb 0.80 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k4v h ALA 65 CO 0.00 0.29 -0.11 0.74 0.00 0.00 0.00 179.25 180.17 2k4v h PHE 66 N 0.68 0.00 -0.00 0.00 0.04 -1.87 -3.04 116.94 112.75 2k4v h PHE 66 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 2k4v h PHE 66 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2k4v h PHE 66 CO 0.01 0.11 -0.03 -1.71 -0.60 0.00 0.00 178.31 176.09 2k4v n ASN 67 N -3.28 0.04 -0.10 2.17 2.85 -0.77 -3.85 115.26 112.33 2k4v n ASN 67 Ca 0.00 0.27 0.23 0.00 -0.11 0.00 0.00 54.58 54.97 2k4v n ASN 67 Cb 0.35 -0.40 0.68 0.00 1.24 0.00 0.00 39.78 41.65 2k4v n ASN 67 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 2k4v h PHE 68 N 0.02 0.07 -1.00 1.20 -0.00 -1.43 -1.43 116.94 114.37 2k4v h PHE 68 Ca 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 57.97 58.23 2k4v h PHE 68 Cb 0.44 -0.02 -0.07 0.00 -0.00 0.00 0.00 35.95 36.30 2k4v h PHE 68 CO 0.00 0.02 0.67 0.00 -0.00 0.00 0.00 178.31 179.00 2k4v h ALA 69 N 1.65 2.44 -0.07 12.09 0.00 -1.85 0.35 119.26 133.86 2k4v h ALA 69 Ca 0.34 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2k4v h ALA 69 Cb 1.29 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k4v h ALA 69 CO -0.02 -0.77 -0.06 0.77 0.00 0.00 0.00 179.25 179.16 2k4v h SER 70 N 0.29 0.17 0.56 0.00 0.02 -1.58 -2.98 113.55 110.03 2k4v h SER 70 Ca 0.53 -0.47 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2k4v h SER 70 Cb 1.54 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 64.04 2k4v h SER 70 CO -0.18 0.61 -0.27 0.44 -1.14 0.00 0.00 176.83 176.29 2k4v h ASP 71 N -0.26 -0.64 -0.91 3.07 3.32 -1.25 -2.21 116.42 117.54 2k4v h ASP 71 Ca 0.01 -0.04 0.25 0.00 0.02 0.00 0.00 57.03 57.27 2k4v h ASP 71 Cb 0.56 0.17 -0.16 0.00 0.22 0.00 0.00 39.33 40.12 2k4v h ASP 71 CO 0.02 -0.32 0.16 0.00 -1.72 0.00 0.00 179.24 177.38 2k4v h ALA 72 N -0.68 1.24 -0.43 3.45 0.00 -0.51 0.26 119.26 122.59 2k4v h ALA 72 Ca -0.08 0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2k4v h ALA 72 Cb 0.64 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2k4v h ALA 72 CO 0.13 -0.53 -0.26 1.15 0.00 0.00 0.00 179.25 179.74 2k4v h THR 73 N 0.11 1.27 -0.42 0.00 2.02 -1.52 -2.47 112.91 111.91 2k4v h THR 73 Ca 0.57 -1.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.19 2k4v h THR 73 Cb 1.18 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2k4v h THR 73 CO -0.75 0.48 -0.27 -0.09 0.37 0.00 0.00 175.52 175.26 2k4v h ARG 74 N 0.77 0.90 0.02 6.66 2.43 -0.35 -0.83 114.38 123.97 2k4v h ARG 74 Ca 0.09 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2k4v h ARG 74 Cb 0.84 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2k4v h ARG 74 CO 0.07 1.06 -0.01 0.28 -1.51 0.00 0.00 179.97 179.87 2k4v h VAL 75 N 0.77 1.02 -0.67 0.20 2.07 -0.63 -2.42 116.25 116.59 2k4v h VAL 75 Ca 0.09 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k4v h VAL 75 Cb 0.84 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2k4v h VAL 75 CO 0.07 0.03 0.41 0.00 0.02 0.00 0.00 177.57 178.10 2k4v h ALA 76 N 0.90 0.85 -0.17 1.67 0.00 -1.26 -1.75 119.26 119.51 2k4v h ALA 76 Ca -0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2k4v h ALA 76 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k4v h ALA 76 CO 0.00 0.32 -0.54 -0.56 0.00 0.00 0.00 179.25 178.47 2k4v h GLN 77 N 0.91 0.50 -0.11 0.00 3.07 -1.14 -1.80 115.11 116.53 2k4v h GLN 77 Ca 0.24 -0.31 -0.06 0.00 0.09 0.00 0.00 58.65 58.61 2k4v h GLN 77 Cb -0.04 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 2k4v h GLN 77 CO -0.05 0.91 -0.19 0.87 0.09 0.00 0.00 178.83 180.46 2k4v h LYS 78 N 0.38 0.19 -0.20 0.06 1.57 -1.20 -2.78 116.57 114.59 2k4v h LYS 78 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k4v h LYS 78 Cb 1.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2k4v h LYS 78 CO 0.10 0.38 0.00 0.72 -0.57 0.00 0.00 179.45 180.08 2k4v n HIS 79 N -4.23 0.25 0.00 -1.35 8.25 -0.68 -4.89 115.22 112.57 2k4v n HIS 79 Ca -0.01 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2k4v n HIS 79 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 1.11 1.30 3.78 -1.41 0.00 -0.84 -4.94 105.19 104.19 2k4v n GLY 80 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 3.19 -0.41 0.99 1.02 -0.74 -4.95 118.68 117.78 2k4v s LEU 81 Ca 0.00 1.85 0.06 0.00 0.02 0.00 0.00 54.13 56.06 2k4v s LEU 81 Cb 0.00 -4.53 0.21 0.00 0.02 0.00 0.00 46.19 41.90 2k4v s LEU 81 CO 0.00 -1.76 0.48 1.41 0.02 0.00 0.00 176.35 176.50 2k4v n HIS 82 N -3.01 -0.93 -0.24 0.29 8.25 -1.26 -4.32 115.22 114.00 2k4v n HIS 82 Ca 0.09 -3.25 -0.12 0.00 -0.26 0.00 0.00 57.72 54.18 2k4v n HIS 82 Cb 0.53 0.09 0.11 0.00 1.12 0.00 0.00 29.99 31.84 2k4v n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2k4v n PRO 83 N 2.07 1.83 -0.15 -0.41 -0.04 -1.26 -4.56 135.00 132.48 2k4v n PRO 83 Ca 0.24 -1.70 -0.09 0.00 -0.04 0.00 0.00 63.50 61.91 2k4v n PRO 83 Cb 0.52 -1.69 0.05 0.00 -0.04 0.00 0.00 33.50 32.34 2k4v n PRO 83 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2k4v h LYS 84 N 0.71 0.94 0.18 0.54 1.79 -2.01 -3.00 116.57 115.72 2k4v h LYS 84 Ca 0.33 -0.34 -0.26 0.00 -2.18 0.00 0.00 60.65 58.20 2k4v h LYS 84 Cb 2.00 -0.06 0.02 0.00 -1.58 0.00 0.00 32.23 32.61 2k4v h LYS 84 CO 0.60 1.00 -1.17 0.74 -1.08 0.00 0.00 179.45 179.54 2k4v h PHE 85 N 0.83 0.70 0.00 -1.35 0.04 -2.06 -3.49 116.94 111.61 2k4v h PHE 85 Ca 0.13 -0.51 0.00 0.00 2.80 0.00 0.00 57.97 60.39 2k4v h PHE 85 Cb 0.66 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.78 2k4v h PHE 85 CO 0.04 1.45 0.00 0.41 -0.60 0.00 0.00 178.31 179.61 2k4v n GLY 86 N 1.71 2.70 4.53 -1.45 0.00 -1.14 -4.97 105.19 106.56 2k4v n GLY 86 Ca -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2k4v n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v n ALA 87 N 0.00 0.00 -1.99 4.61 0.00 -1.26 -4.88 120.51 116.98 2k4v n ALA 87 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2k4v n ALA 87 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2k4v n ALA 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k4v s ILE 88 N 0.00 3.49 0.07 0.00 1.01 -1.26 -4.35 121.20 120.16 2k4v s ILE 88 Ca 0.00 0.52 -0.18 0.00 0.00 0.00 0.00 60.65 60.99 2k4v s ILE 88 Cb 0.00 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 2k4v s ILE 88 CO 0.00 -0.33 1.45 0.74 0.00 0.00 0.00 174.94 176.80 2k4v h THR 89 N 6.59 1.30 -0.53 2.92 2.02 -1.94 -3.31 112.91 119.96 2k4v h THR 89 Ca -0.35 -1.13 -0.68 0.00 0.77 0.00 0.00 66.41 65.02 2k4v h THR 89 Cb 1.17 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 69.07 2k4v h THR 89 CO 1.01 0.35 2.52 0.54 0.37 0.00 0.00 175.52 180.31 2k4v n ARG 90 N -4.54 3.02 -1.85 6.66 5.12 -1.26 -4.95 116.66 118.85 2k4v n ARG 90 Ca -0.04 -3.00 -0.43 0.00 -1.93 0.00 0.00 57.85 52.45 2k4v n ARG 90 Cb 0.32 -3.42 -0.03 0.00 -1.16 0.00 0.00 32.46 28.17 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 4.01 3.32 -0.86 1.55 1.01 -1.25 -4.91 120.40 123.27 2k4v s VAL 91 Ca 0.52 0.36 -0.25 0.00 0.00 0.00 0.00 61.98 62.61 2k4v s VAL 91 Cb 0.08 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 33.15 2k4v s VAL 91 CO 0.02 -0.14 1.52 -1.00 0.00 0.00 0.00 175.10 175.51 2k4v s HIS 92 N 5.90 2.23 -0.43 5.22 3.76 -1.26 -4.80 115.29 125.91 2k4v s HIS 92 Ca 0.84 -0.16 0.09 0.00 -0.15 0.00 0.00 55.06 55.68 2k4v s HIS 92 Cb -0.32 -4.50 0.58 0.00 1.11 0.00 0.00 32.58 29.45 2k4v s HIS 92 CO 0.34 -2.00 1.46 1.63 -0.85 0.00 0.00 174.74 175.32 2k4v n LYS 93 N 9.08 3.48 -0.43 1.40 4.76 -1.26 -4.50 118.16 130.69 2k4v n LYS 93 Ca 0.23 -2.28 -0.07 0.00 -2.87 0.00 0.00 58.31 53.32 2k4v n LYS 93 Cb 0.50 -2.02 0.04 0.00 -1.84 0.00 0.00 35.03 31.70 2k4v n LYS 93 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k4v n GLU 94 N 0.23 1.35 0.10 1.97 4.71 -1.26 -4.13 120.64 123.61 2k4v n GLU 94 Ca 0.25 -0.79 0.02 0.00 -0.01 0.00 0.00 57.16 56.63 2k4v n GLU 94 Cb 1.02 -1.31 0.37 0.00 -1.01 0.00 0.00 31.44 30.52 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 2k4v h TYR 95 N 0.54 0.30 -0.05 -0.32 3.20 -2.00 -2.01 116.97 116.63 2k4v h TYR 95 Ca 0.16 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 2k4v h TYR 95 Cb 1.33 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2k4v h TYR 95 CO 0.45 0.40 -0.46 0.22 -1.64 0.00 0.00 178.16 177.13 2k4v h ASP 96 N 0.27 0.13 -0.04 -2.11 3.58 -1.99 -0.59 116.42 115.68 2k4v h ASP 96 Ca 0.06 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2k4v h ASP 96 Cb 0.38 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 2k4v h ASP 96 CO 0.02 0.57 -0.05 0.00 -2.88 0.00 0.00 179.24 176.90 2k4v h ALA 97 N 1.43 0.06 -0.09 -0.78 0.00 -1.70 -2.44 119.26 115.74 2k4v h ALA 97 Ca 0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2k4v h ALA 97 Cb 0.85 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k4v h ALA 97 CO 0.07 -0.13 -0.25 0.00 0.00 0.00 0.00 179.25 178.93 2k4v h MET 98 N -0.39 0.16 -0.51 0.00 -0.00 -1.47 -2.68 114.93 110.04 2k4v h MET 98 Ca 0.00 -0.05 0.05 0.00 -0.00 0.00 0.00 59.70 59.71 2k4v h MET 98 Cb 0.59 -0.02 -0.05 0.00 -0.00 0.00 0.00 31.60 32.13 2k4v h MET 98 CO 0.01 0.41 0.23 0.35 -0.00 0.00 0.00 176.91 177.91 2k4v h PHE 99 N 0.14 0.42 0.00 -0.10 3.04 -1.00 -0.49 116.94 118.96 2k4v h PHE 99 Ca 0.02 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.86 2k4v h PHE 99 Cb 0.53 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 2k4v h PHE 99 CO 0.01 0.19 -0.64 1.05 -2.02 0.00 0.00 178.31 176.89 2k4v h GLU 100 N 0.45 0.00 0.57 1.11 4.11 -1.37 -2.24 114.58 117.22 2k4v h GLU 100 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.64 2k4v h GLU 100 Cb 0.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2k4v h GLU 100 CO -0.19 0.64 -0.27 0.22 0.07 0.00 0.00 179.01 179.48 2k4v h ASP 101 N 0.00 -0.65 -0.87 3.06 3.58 -1.18 -3.14 116.42 117.22 2k4v h ASP 101 Ca -0.01 -0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.50 2k4v h ASP 101 Cb 1.33 0.17 -0.06 0.00 1.72 0.00 0.00 39.33 42.49 2k4v h ASP 101 CO 0.08 -0.26 0.56 0.40 -2.88 0.00 0.00 179.24 177.15 2k4v h ILE 102 N -1.14 1.04 0.00 2.25 2.04 -1.17 -1.66 117.51 118.87 2k4v h ILE 102 Ca -0.08 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2k4v h ILE 102 Cb 0.63 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2k4v h ILE 102 CO 0.13 0.17 -0.18 0.08 0.00 0.00 0.00 178.15 178.35 2k4v h ARG 103 N 0.95 0.00 -0.06 2.37 -0.00 -1.49 -0.39 114.38 115.76 2k4v h ARG 103 Ca 0.38 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 60.14 2k4v h ARG 103 Cb 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.24 2k4v h ARG 103 CO -0.14 0.18 -0.82 0.00 -0.00 0.00 0.00 179.97 179.18 2k4v h ALA 104 N 1.82 0.18 -0.56 0.08 0.00 -1.27 -2.08 119.26 117.44 2k4v h ALA 104 Ca -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 54.91 54.33 2k4v h ALA 104 Cb 0.32 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2k4v h ALA 104 CO 0.02 0.59 0.30 0.87 0.00 0.00 0.00 179.25 181.03 2k4v h LYS 105 N 0.32 0.57 0.00 0.00 1.79 -1.04 -0.41 116.57 117.80 2k4v h LYS 105 Ca -0.09 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 2k4v h LYS 105 Cb 1.48 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.99 2k4v h LYS 105 CO 0.16 0.37 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.73 2k4v h LEU 106 N 0.58 0.00 0.00 2.94 4.07 -1.06 -1.20 115.31 120.65 2k4v h LEU 106 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 2k4v h LEU 106 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 2k4v h LEU 106 CO -0.15 0.10 -0.48 -0.74 -1.08 0.00 0.00 178.44 176.09 2k4v h HIS 107 N 0.00 0.00 -0.09 1.13 2.76 -0.81 -3.48 115.15 114.66 2k4v h HIS 107 Ca -0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2k4v h HIS 107 Cb 0.29 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 2k4v h HIS 107 CO 0.00 0.00 -0.04 0.00 -1.30 0.00 0.00 177.93 176.59 2k4v n ALA 108 N -1.95 -0.03 -3.32 5.26 0.00 -0.21 -4.99 120.51 115.27 2k4v n ALA 108 Ca 0.03 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 2k4v n ALA 108 Cb 0.48 -0.59 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.88 -0.34 -0.43 0.00 3.76 -0.99 -5.01 115.29 110.40 2k4v s HIS 109 Ca 0.00 0.80 -0.28 0.00 -0.15 0.00 0.00 55.06 55.44 2k4v s HIS 109 Cb 0.00 0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.78 2k4v s HIS 109 CO 0.00 -0.18 1.80 -1.25 -0.85 0.00 0.00 174.74 174.25 2k4v s PRO 110 N 0.47 3.10 -0.34 8.40 0.04 -1.26 -4.54 135.00 140.87 2k4v s PRO 110 Ca -0.03 1.12 0.14 0.00 0.04 0.00 0.00 61.00 62.27 2k4v s PRO 110 Cb -0.04 -4.25 0.46 0.00 0.04 0.00 0.00 34.50 30.71 2k4v s PRO 110 CO -0.02 -2.14 1.06 0.41 0.04 0.00 0.00 177.00 176.35 2k4v n GLY 111 N 5.49 3.54 3.77 0.56 0.00 -1.26 -5.10 105.19 112.19 2k4v n GLY 111 Ca 0.22 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 2k4v n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4v s GLU 112 N -3.44 4.17 0.52 1.61 2.02 -1.26 -4.94 118.70 117.38 2k4v s GLU 112 Ca 0.36 1.73 -0.21 0.00 0.02 0.00 0.00 54.97 56.88 2k4v s GLU 112 Cb 0.41 -2.70 -0.06 0.00 0.10 0.00 0.00 34.13 31.87 2k4v s GLU 112 CO -0.04 -0.19 1.15 -2.14 0.02 0.00 0.00 175.26 174.06 2k4v s PRO 113 N -2.24 3.45 0.44 0.39 0.02 -1.26 -5.02 135.00 130.78 2k4v s PRO 113 Ca 0.56 1.69 -0.21 0.00 0.02 0.00 0.00 61.00 63.06 2k4v s PRO 113 Cb -0.28 -2.13 -0.10 0.00 0.02 0.00 0.00 34.50 32.01 2k4v s PRO 113 CO 0.35 -0.79 0.97 0.54 -0.33 0.00 0.00 177.00 177.74 2k4v s VAL 114 N -1.68 4.27 -0.07 3.83 0.11 -1.26 -5.00 120.40 120.60 2k4v s VAL 114 Ca 0.70 1.41 0.24 0.00 -2.93 0.00 0.00 61.98 61.41 2k4v s VAL 114 Cb -0.26 -3.57 0.44 0.00 -1.53 0.00 0.00 36.38 31.46 2k4v s VAL 114 CO 0.30 -0.30 1.15 -0.90 -3.33 0.00 0.00 175.10 172.02 2k4v n ASP 115 N -0.70 1.06 -0.22 3.54 5.75 -1.26 -4.91 116.55 119.80 2k4v n ASP 115 Ca 0.07 -2.01 -0.07 0.00 -0.01 0.00 0.00 54.79 52.78 2k4v n ASP 115 Cb 0.54 -0.32 0.04 0.00 -1.03 0.00 0.00 41.12 40.34 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2k4v h LEU 116 N 1.38 0.79 -0.52 -2.12 8.10 -2.04 -2.58 115.31 118.31 2k4v h LEU 116 Ca -0.22 -0.11 -0.04 0.00 0.11 0.00 0.00 57.88 57.62 2k4v h LEU 116 Cb 1.72 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 41.73 2k4v h LEU 116 CO 0.11 0.68 -0.20 1.05 -4.11 0.00 0.00 178.44 175.96 2k4v h GLU 117 N 0.84 0.00 -0.53 0.17 9.09 -1.99 -3.37 114.58 118.79 2k4v h GLU 117 Ca 0.21 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.73 2k4v h GLU 117 Cb 0.08 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.09 2k4v h GLU 117 CO -0.03 0.20 -0.06 -0.09 0.05 0.00 0.00 179.01 179.08 2k4v h ARG 118 N 0.00 0.06 0.00 1.06 9.65 -1.83 0.57 114.38 123.89 2k4v h ARG 118 Ca -0.00 -0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.70 2k4v h ARG 118 Cb 0.96 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.51 2k4v h ARG 118 CO 0.03 0.04 -0.82 0.82 2.80 0.00 0.00 179.97 182.83 2k4v h ILE 119 N 0.06 1.51 0.00 1.20 1.08 -1.73 -3.27 117.51 116.37 2k4v h ILE 119 Ca 0.26 -2.90 -0.07 0.00 -0.39 0.00 0.00 64.86 61.77 2k4v h ILE 119 Cb 0.41 2.60 -0.01 0.00 -3.07 0.00 0.00 36.82 36.74 2k4v h ILE 119 CO -0.49 0.81 -0.31 0.40 -0.69 0.00 0.00 178.15 177.87 2k4v h ILE 120 N 0.00 0.66 -0.29 -0.67 2.04 -1.14 -3.42 117.51 114.69 2k4v h ILE 120 Ca -0.01 -1.47 -0.12 0.00 1.00 0.00 0.00 64.86 64.26 2k4v h ILE 120 Cb 1.53 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 39.57 2k4v h ILE 120 CO 0.11 0.31 0.38 -0.13 0.00 0.00 0.00 178.15 178.81 2k4v s ARG 121 N -3.44 1.69 -0.22 2.37 1.81 -0.22 -4.80 118.95 116.15 2k4v s ARG 121 Ca 0.02 -0.47 -0.22 0.00 -1.72 0.00 0.00 55.73 53.33 2k4v s ARG 121 Cb 0.09 -5.03 0.06 0.00 -0.45 0.00 0.00 34.95 29.63 2k4v s ARG 121 CO 0.68 -4.78 0.63 -1.01 -0.68 0.00 0.00 175.30 170.13 2k4v s HIS 122 N 14.57 -0.68 -0.49 -0.53 3.76 -1.26 -5.08 115.29 125.58 2k4v s HIS 122 Ca 0.79 1.62 0.06 0.00 -0.15 0.00 0.00 55.06 57.38 2k4v s HIS 122 Cb -0.05 0.25 0.18 0.00 1.11 0.00 0.00 32.58 34.07 2k4v s HIS 122 CO 0.14 -0.35 0.64 -1.83 -0.85 0.00 0.00 174.74 172.48 2k4v s GLU 123 N 0.19 1.01 0.00 1.40 1.03 -1.26 -5.06 118.70 116.01 2k4v s GLU 123 Ca -0.01 -1.18 0.00 0.00 0.03 0.00 0.00 54.97 53.81 2k4v s GLU 123 Cb -0.04 -0.30 0.00 0.00 -0.80 0.00 0.00 34.13 32.99 2k4v s GLU 123 CO 0.02 -1.32 0.00 0.41 -1.33 0.00 0.00 175.26 173.03 2k4v n GLY 124 N 3.09 -0.32 0.00 -3.83 0.00 -1.26 -5.35 105.19 97.51 2k4v n GLY 124 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2k4v n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76