#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 0.17 3.58 1.08 0.00 -1.26 -4.84 105.19 103.92 2k4v n GLY 2 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.96 -0.58 -0.32 1.61 -3.43 -1.26 -1.60 115.29 108.75 2k4v s HIS 3 Ca 0.00 1.19 0.04 0.00 -0.80 0.00 0.00 55.06 55.49 2k4v s HIS 3 Cb 0.00 0.38 0.17 0.00 -1.43 0.00 0.00 32.58 31.70 2k4v s HIS 3 CO 0.00 -0.42 0.47 1.41 -2.00 0.00 0.00 174.74 174.20 2k4v s MET 4 N -0.55 0.55 -0.07 -0.38 0.00 -0.76 -4.96 119.30 113.13 2k4v s MET 4 Ca -0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 55.69 55.55 2k4v s MET 4 Cb -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 34.83 34.56 2k4v s MET 4 CO 0.03 -1.09 0.21 0.12 0.00 0.00 0.00 175.02 174.28 2k4v s PHE 5 N 2.29 3.61 0.08 4.11 5.36 -1.26 -1.00 117.98 131.17 2k4v s PHE 5 Ca 0.12 0.59 -0.18 0.00 -0.96 0.00 0.00 56.93 56.51 2k4v s PHE 5 Cb -0.11 -1.99 0.04 0.00 -0.34 0.00 0.00 43.02 40.61 2k4v s PHE 5 CO -0.21 0.70 0.42 -1.83 -1.46 0.00 0.00 175.22 172.84 2k4v s GLU 6 N -1.24 1.00 -0.89 10.12 -1.05 -0.24 -5.00 118.70 121.40 2k4v s GLU 6 Ca 0.20 -0.50 -0.25 0.00 -0.15 0.00 0.00 54.97 54.27 2k4v s GLU 6 Cb -0.13 0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 2k4v s GLU 6 CO 0.09 -0.37 2.02 -1.25 0.95 0.00 0.00 175.26 176.70 2k4v s PRO 7 N -3.05 2.40 0.00 -4.83 0.04 -1.26 -2.06 135.00 126.24 2k4v s PRO 7 Ca -0.02 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 60.84 2k4v s PRO 7 Cb 0.00 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.52 2k4v s PRO 7 CO -0.07 -3.57 0.00 0.41 0.04 0.00 0.00 177.00 173.82 2k4v n GLY 8 N 6.83 0.88 3.53 0.56 0.00 -1.26 -5.09 105.19 110.64 2k4v n GLY 8 Ca 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.29 -0.48 -0.06 1.61 5.65 -0.87 -1.73 115.29 119.12 2k4v s HIS 9 Ca 0.00 0.68 -0.03 0.00 0.25 0.00 0.00 55.06 55.96 2k4v s HIS 9 Cb 0.00 0.47 0.03 0.00 -1.18 0.00 0.00 32.58 31.90 2k4v s HIS 9 CO 0.00 -0.53 0.13 -1.17 -0.65 0.00 0.00 174.74 172.52 2k4v s LEU 10 N -1.59 0.97 -0.09 8.88 0.20 0.25 -1.07 118.68 126.23 2k4v s LEU 10 Ca -0.03 0.27 0.02 0.00 0.69 0.00 0.00 54.13 55.07 2k4v s LEU 10 Cb -0.00 0.35 -0.02 0.00 -0.43 0.00 0.00 46.19 46.09 2k4v s LEU 10 CO 0.01 -0.12 -0.14 -2.28 -0.29 0.00 0.00 176.35 173.53 2k4v s HIS 11 N 0.86 2.74 -0.15 5.38 5.65 -0.17 -0.53 115.29 129.07 2k4v s HIS 11 Ca -0.07 -0.47 -0.02 0.00 0.25 0.00 0.00 55.06 54.75 2k4v s HIS 11 Cb -0.09 -1.75 -0.02 0.00 -1.18 0.00 0.00 32.58 29.55 2k4v s HIS 11 CO -0.04 -0.06 -0.07 -0.51 -0.65 0.00 0.00 174.74 173.41 2k4v s LEU 12 N -0.09 3.03 -0.39 8.88 1.43 -0.84 -1.82 118.68 128.87 2k4v s LEU 12 Ca -0.02 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2k4v s LEU 12 Cb -0.14 -1.72 0.14 0.00 0.03 0.00 0.00 46.19 44.50 2k4v s LEU 12 CO 0.04 0.15 0.22 -0.69 0.23 0.00 0.00 176.35 176.29 2k4v s VAL 13 N 0.48 0.70 -0.58 -1.59 1.01 -0.63 -2.20 120.40 117.60 2k4v s VAL 13 Ca -0.05 -2.07 -0.20 0.00 0.00 0.00 0.00 61.98 59.65 2k4v s VAL 13 Cb -0.15 -1.50 0.08 0.00 0.00 0.00 0.00 36.38 34.81 2k4v s VAL 13 CO 0.03 -0.94 0.76 -0.55 0.00 0.00 0.00 175.10 174.40 2k4v s SER 14 N 0.77 6.21 0.54 3.32 0.15 -1.19 -4.04 113.70 119.46 2k4v s SER 14 Ca 0.18 -1.06 -0.16 0.00 0.70 0.00 0.00 55.95 55.61 2k4v s SER 14 Cb -0.24 -2.34 -0.07 0.00 -1.71 0.00 0.00 66.02 61.66 2k4v s SER 14 CO 0.00 -1.13 1.00 -1.48 1.20 0.00 0.00 173.24 172.83 2k4v s LEU 15 N 3.11 3.56 0.13 3.45 2.34 -1.26 -2.19 118.68 127.82 2k4v s LEU 15 Ca 0.17 1.57 -0.17 0.00 0.06 0.00 0.00 54.13 55.76 2k4v s LEU 15 Cb -0.20 -4.51 -0.02 0.00 -0.56 0.00 0.00 46.19 40.90 2k4v s LEU 15 CO 0.10 -0.67 1.68 1.55 -1.06 0.00 0.00 176.35 177.95 2k4v h PRO 16 N 0.71 0.52 0.00 1.48 0.13 -1.87 -3.44 132.00 129.53 2k4v h PRO 16 Ca -0.46 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2k4v h PRO 16 Cb 1.19 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2k4v h PRO 16 CO 0.61 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 179.29 2k4v n GLY 17 N -0.80 0.25 2.25 1.56 0.00 -1.26 -1.53 105.19 105.66 2k4v n GLY 17 Ca -0.01 0.76 -0.31 0.00 0.00 0.00 0.00 46.02 46.46 2k4v n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4v n LEU 18 N 0.00 7.44 -2.87 0.99 4.77 -1.26 -4.88 117.00 121.19 2k4v n LEU 18 Ca 0.00 -4.07 -0.12 0.00 -0.03 0.00 0.00 56.01 51.78 2k4v n LEU 18 Cb 0.00 -0.98 0.06 0.00 -2.33 0.00 0.00 43.42 40.17 2k4v n LEU 18 CO 0.00 1.40 0.06 0.47 -1.33 0.00 0.00 177.39 177.99 2k4v n ASP 19 N -0.72 -3.68 -3.09 -1.43 8.00 -0.92 -5.08 116.55 109.64 2k4v n ASP 19 Ca 0.57 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2k4v n ASP 19 Cb 0.70 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.69 2k4v n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k4v n GLN 20 N -3.15 1.68 -4.02 -1.24 6.02 -0.58 -5.05 117.38 111.04 2k4v n GLN 20 Ca -0.15 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.48 2k4v n GLN 20 Cb 0.61 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.80 2k4v n GLN 20 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2k4v s GLN 21 N 0.00 3.31 -0.40 -1.09 0.74 -1.26 -4.78 119.66 116.18 2k4v s GLN 21 Ca 0.00 -0.21 -0.22 0.00 0.05 0.00 0.00 55.36 54.97 2k4v s GLN 21 Cb 0.00 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 31.05 2k4v s GLN 21 CO 0.00 0.76 0.74 0.34 -0.55 0.00 0.00 175.29 176.58 2k4v s ASP 22 N -1.02 6.45 -0.08 6.67 -1.08 -1.26 -4.38 116.67 121.97 2k4v s ASP 22 Ca 0.15 0.07 0.01 0.00 -0.52 0.00 0.00 52.55 52.26 2k4v s ASP 22 Cb -0.12 -2.37 -0.03 0.00 -1.46 0.00 0.00 42.92 38.94 2k4v s ASP 22 CO 0.04 -0.78 -0.08 0.27 0.52 0.00 0.00 175.17 175.14 2k4v s ILE 23 N 3.07 3.61 -0.18 4.11 -5.25 -0.93 -1.33 121.20 124.30 2k4v s ILE 23 Ca 0.28 -0.51 -0.09 0.00 -0.99 0.00 0.00 60.65 59.35 2k4v s ILE 23 Cb -0.13 -2.48 0.07 0.00 2.95 0.00 0.00 42.46 42.87 2k4v s ILE 23 CO 0.19 0.59 0.42 0.54 -1.79 0.00 0.00 174.94 174.89 2k4v s ASN 24 N -0.65 -0.47 -0.03 4.36 6.03 -1.26 -3.17 114.94 119.75 2k4v s ASN 24 Ca 0.10 0.94 0.00 0.00 -1.03 0.00 0.00 52.86 52.87 2k4v s ASN 24 Cb -0.11 0.92 0.03 0.00 -3.03 0.00 0.00 41.25 39.05 2k4v s ASN 24 CO 0.02 -0.20 0.00 -0.63 -2.03 0.00 0.00 177.10 174.26 2k4v s ILE 25 N 1.69 0.17 -0.12 0.54 1.01 -0.93 -3.29 121.20 120.27 2k4v s ILE 25 Ca -0.08 0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.52 2k4v s ILE 25 Cb -0.09 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 2k4v s ILE 25 CO -0.13 0.15 0.39 -1.00 0.00 0.00 0.00 174.94 174.35 2k4v s HIS 26 N 1.12 3.53 -0.31 3.97 3.76 0.04 -1.99 115.29 125.40 2k4v s HIS 26 Ca -0.08 0.79 0.03 0.00 -0.15 0.00 0.00 55.06 55.65 2k4v s HIS 26 Cb -0.13 -2.42 0.08 0.00 1.11 0.00 0.00 32.58 31.22 2k4v s HIS 26 CO -0.02 0.27 -0.01 0.42 -0.85 0.00 0.00 174.74 174.55 2k4v s ILE 27 N 0.29 2.19 0.03 0.60 1.01 0.31 -2.26 121.20 123.37 2k4v s ILE 27 Ca 0.22 -2.04 -0.16 0.00 0.00 0.00 0.00 60.65 58.67 2k4v s ILE 27 Cb -0.14 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.77 2k4v s ILE 27 CO 0.08 -0.38 0.46 -0.13 0.00 0.00 0.00 174.94 174.98 2k4v s ARG 28 N 1.00 4.01 -0.14 2.79 0.52 0.23 -0.58 118.95 126.78 2k4v s ARG 28 Ca 0.03 0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 55.64 2k4v s ARG 28 Cb -0.19 -3.22 0.04 0.00 0.52 0.00 0.00 34.95 32.10 2k4v s ARG 28 CO -0.07 0.67 0.37 1.52 0.02 0.00 0.00 175.30 177.81 2k4v s TYR 29 N -1.10 -0.44 -0.04 -0.53 1.13 -0.71 -1.33 117.35 114.33 2k4v s TYR 29 Ca 0.26 1.03 0.01 0.00 -1.41 0.00 0.00 57.07 56.96 2k4v s TYR 29 Cb -0.18 0.16 0.02 0.00 -1.10 0.00 0.00 41.96 40.86 2k4v s TYR 29 CO 0.15 -0.22 -0.05 -1.21 -2.51 0.00 0.00 175.55 171.71 2k4v s GLU 30 N 0.45 0.83 -0.30 -3.49 2.02 -0.71 -4.18 118.70 113.32 2k4v s GLU 30 Ca -0.02 -0.13 -0.28 0.00 0.02 0.00 0.00 54.97 54.56 2k4v s GLU 30 Cb -0.04 -0.82 0.01 0.00 0.10 0.00 0.00 34.13 33.38 2k4v s GLU 30 CO -0.02 -0.05 1.04 0.08 0.02 0.00 0.00 175.26 176.32 2k4v s VAL 31 N 0.79 4.58 0.22 2.63 1.01 -1.26 -1.34 120.40 127.03 2k4v s VAL 31 Ca -0.11 1.74 0.02 0.00 0.00 0.00 0.00 61.98 63.64 2k4v s VAL 31 Cb -0.14 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 2k4v s VAL 31 CO 0.00 -0.39 0.03 -0.60 0.00 0.00 0.00 175.10 174.14 2k4v s ARG 32 N 3.48 1.30 -0.19 2.72 3.52 -0.50 -5.00 118.95 124.28 2k4v s ARG 32 Ca 0.44 -1.67 -0.06 0.00 -0.13 0.00 0.00 55.73 54.31 2k4v s ARG 32 Cb -0.13 -0.43 -0.03 0.00 -1.56 0.00 0.00 34.95 32.80 2k4v s ARG 32 CO 0.13 -0.16 0.03 -0.65 -0.81 0.00 0.00 175.30 173.83 2k4v s GLN 33 N -3.92 3.79 0.01 5.12 -1.52 -1.26 -0.88 119.66 121.00 2k4v s GLN 33 Ca 0.30 -0.44 -0.01 0.00 -1.95 0.00 0.00 55.36 53.26 2k4v s GLN 33 Cb 0.06 -3.12 -0.04 0.00 -0.22 0.00 0.00 33.01 29.69 2k4v s GLN 33 CO 0.09 0.16 0.12 0.54 -0.25 0.00 0.00 175.29 175.94 2k4v s ASN 34 N 0.65 5.91 0.17 5.90 2.20 0.92 -4.96 114.94 125.72 2k4v s ASN 34 Ca 0.01 0.19 0.21 0.00 -0.94 0.00 0.00 52.86 52.34 2k4v s ASN 34 Cb -0.14 -1.74 0.87 0.00 -2.00 0.00 0.00 41.25 38.25 2k4v s ASN 34 CO 0.02 0.25 1.66 0.00 -2.94 0.00 0.00 177.10 176.09 2k4v n ALA 35 N 0.96 1.74 -0.02 3.54 0.00 -1.26 -1.62 120.51 123.86 2k4v n ALA 35 Ca -0.11 0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2k4v n ALA 35 Cb 0.52 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.07 0.00 0.00 4.57 -1.99 -3.41 114.58 113.68 2k4v h GLU 36 Ca 0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2k4v h GLU 36 Cb 0.37 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2k4v h GLU 36 CO 0.00 0.44 -1.36 0.45 -1.18 0.00 0.00 179.01 177.36 2k4v n SER 37 N -4.77 3.39 0.00 1.04 2.88 -1.25 -5.11 113.62 109.80 2k4v n SER 37 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2k4v n SER 37 Cb 0.27 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.85 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 2.25 0.78 3.75 0.46 0.00 -0.64 -4.98 105.19 106.82 2k4v n GLY 38 Ca -0.04 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 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 2.54 0.32 4.61 0.00 -1.26 -0.06 121.76 125.92 2k4v s ALA 39 Ca 0.00 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 2k4v s ALA 39 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.67 2k4v s ALA 39 CO 0.00 -1.24 0.72 1.52 0.00 0.00 0.00 175.76 176.76 2k4v s TYR 40 N -1.53 0.01 -0.11 0.00 1.13 -0.05 -1.64 117.35 115.15 2k4v s TYR 40 Ca 0.78 -0.54 0.01 0.00 -1.41 0.00 0.00 57.07 55.91 2k4v s TYR 40 Cb -0.32 0.70 0.02 0.00 -1.10 0.00 0.00 41.96 41.25 2k4v s TYR 40 CO 0.35 -1.35 -0.15 0.08 -2.51 0.00 0.00 175.55 171.98 2k4v s VAL 41 N -3.27 1.47 -0.20 -3.49 1.01 -0.86 -1.41 120.40 113.65 2k4v s VAL 41 Ca 0.14 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 2k4v s VAL 41 Cb -0.05 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2k4v s VAL 41 CO 0.09 0.44 0.70 -2.28 0.00 0.00 0.00 175.10 174.05 2k4v s HIS 42 N 1.09 3.37 -0.09 5.22 2.46 -0.45 -2.66 115.29 124.23 2k4v s HIS 42 Ca -0.05 1.02 -0.01 0.00 0.47 0.00 0.00 55.06 56.49 2k4v s HIS 42 Cb -0.14 -2.88 -0.03 0.00 -0.13 0.00 0.00 32.58 29.39 2k4v s HIS 42 CO -0.03 -0.23 -0.02 -0.06 -2.47 0.00 0.00 174.74 171.93 2k4v s PHE 43 N 2.13 3.08 -0.10 3.88 0.08 -0.21 -1.74 117.98 125.09 2k4v s PHE 43 Ca 0.31 0.08 -0.00 0.00 0.12 0.00 0.00 56.93 57.44 2k4v s PHE 43 Cb -0.16 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 2k4v s PHE 43 CO 0.10 0.36 -0.07 -0.51 -0.10 0.00 0.00 175.22 175.01 2k4v s ASP 44 N -0.69 2.06 -0.12 1.36 1.01 -0.44 -2.00 116.67 117.86 2k4v s ASP 44 Ca 0.11 -0.27 0.01 0.00 0.71 0.00 0.00 52.55 53.12 2k4v s ASP 44 Cb -0.12 -0.77 -0.01 0.00 1.01 0.00 0.00 42.92 43.03 2k4v s ASP 44 CO 0.02 -0.12 -0.17 -0.04 0.21 0.00 0.00 175.17 175.07 2k4v s MET 45 N 1.70 3.22 0.16 8.23 -1.94 0.13 -0.60 119.30 130.21 2k4v s MET 45 Ca 0.04 -0.75 -0.18 0.00 -1.71 0.00 0.00 55.69 53.09 2k4v s MET 45 Cb -0.13 -2.51 0.04 0.00 2.01 0.00 0.00 34.83 34.25 2k4v s MET 45 CO -0.07 0.23 0.49 0.16 -0.01 0.00 0.00 175.02 175.81 2k4v s ASP 46 N 0.28 -0.32 0.00 3.03 -4.77 -0.96 -1.45 116.67 112.48 2k4v s ASP 46 Ca -0.12 -0.31 0.00 0.00 -3.30 0.00 0.00 52.55 48.82 2k4v s ASP 46 Cb -0.16 0.54 0.00 0.00 -1.09 0.00 0.00 42.92 42.21 2k4v s ASP 46 CO 0.06 -0.95 0.00 0.61 0.70 0.00 0.00 175.17 175.59 2k4v n GLY 47 N -0.30 -0.46 2.83 2.12 0.00 -1.15 -0.78 105.19 107.45 2k4v n GLY 47 Ca -0.14 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 0.28 -0.25 1.61 1.03 -1.21 -1.91 118.70 116.25 2k4v s GLU 48 Ca 0.00 0.35 -0.11 0.00 0.03 0.00 0.00 54.97 55.23 2k4v s GLU 48 Cb 0.00 -0.82 -0.05 0.00 -0.80 0.00 0.00 34.13 32.46 2k4v s GLU 48 CO 0.00 -0.67 0.19 0.42 -1.33 0.00 0.00 175.26 173.87 2k4v s ILE 49 N 2.44 5.33 -1.73 1.83 1.01 -0.85 -4.07 121.20 125.16 2k4v s ILE 49 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2k4v s ILE 49 Cb -0.15 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2k4v s ILE 49 CO -0.15 0.31 0.00 -0.67 0.00 0.00 0.00 174.94 174.43 2k4v n ASP 50 N 4.48 -5.08 0.00 3.58 2.03 -0.44 -1.63 116.55 119.49 2k4v n ASP 50 Ca -0.14 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2k4v n ASP 50 Cb 0.52 -4.13 0.00 0.00 -0.72 0.00 0.00 41.12 36.79 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 -0.90 0.77 3.49 0.27 0.00 -1.26 -5.04 105.19 102.52 2k4v n GLY 51 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.30 3.20 0.05 1.61 1.02 -0.65 -4.99 119.74 119.68 2k4v s LYS 52 Ca 0.00 -0.59 -0.31 0.00 0.02 0.00 0.00 55.97 55.10 2k4v s LYS 52 Cb 0.00 -4.00 -0.06 0.00 -0.52 0.00 0.00 37.83 33.25 2k4v s LYS 52 CO 0.00 -1.08 1.29 -1.25 -0.92 0.00 0.00 175.35 173.40 2k4v s PRO 53 N 2.72 4.36 0.07 -1.68 0.04 -1.26 -2.01 135.00 137.23 2k4v s PRO 53 Ca 0.19 1.88 0.05 0.00 0.04 0.00 0.00 61.00 63.16 2k4v s PRO 53 Cb -0.16 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 2k4v s PRO 53 CO 0.16 -0.40 -0.13 -0.59 0.04 0.00 0.00 177.00 176.08 2k4v s PHE 54 N 1.51 1.14 -0.03 0.56 -0.71 -0.80 -4.99 117.98 114.65 2k4v s PHE 54 Ca 0.61 -0.47 -0.01 0.00 -1.04 0.00 0.00 56.93 56.02 2k4v s PHE 54 Cb -0.31 -0.64 0.03 0.00 -1.21 0.00 0.00 43.02 40.88 2k4v s PHE 54 CO 0.28 0.04 0.03 -1.54 -1.34 0.00 0.00 175.22 172.69 2k4v s SER 55 N -1.74 0.59 0.01 1.98 1.04 -1.26 -2.92 113.70 111.40 2k4v s SER 55 Ca -0.03 0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 2k4v s SER 55 Cb -0.10 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 2k4v s SER 55 CO 0.02 -0.17 0.04 -0.62 0.98 0.00 0.00 173.24 173.49 2k4v s ASP 56 N 1.51 0.11 -0.11 7.02 -1.08 -0.53 -5.04 116.67 118.54 2k4v s ASP 56 Ca -0.03 -0.27 -0.11 0.00 -0.52 0.00 0.00 52.55 51.62 2k4v s ASP 56 Cb -0.13 0.13 0.03 0.00 -1.46 0.00 0.00 42.92 41.50 2k4v s ASP 56 CO -0.03 -0.25 0.31 -0.94 0.52 0.00 0.00 175.17 174.77 2k4v s SER 57 N -1.08 -0.32 0.01 -0.34 1.04 -1.26 -0.70 113.70 111.05 2k4v s SER 57 Ca -0.12 0.61 -0.09 0.00 0.48 0.00 0.00 55.95 56.83 2k4v s SER 57 Cb -0.07 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.68 2k4v s SER 57 CO -0.00 -0.11 0.18 0.72 0.98 0.00 0.00 173.24 175.01 2k4v s PHE 58 N 0.15 0.01 -0.06 5.02 -0.71 -0.84 -5.02 117.98 116.52 2k4v s PHE 58 Ca -0.00 -0.10 0.03 0.00 -1.04 0.00 0.00 56.93 55.82 2k4v s PHE 58 Cb -0.02 -0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.78 2k4v s PHE 58 CO 0.00 -0.34 -0.16 -1.21 -1.34 0.00 0.00 175.22 172.18 2k4v s GLU 59 N -1.65 1.94 -0.09 1.99 2.02 -1.26 -1.05 118.70 120.60 2k4v s GLU 59 Ca -0.12 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.33 2k4v s GLU 59 Cb -0.06 -1.59 0.02 0.00 0.10 0.00 0.00 34.13 32.60 2k4v s GLU 59 CO 0.01 0.12 -0.12 -0.51 0.02 0.00 0.00 175.26 174.77 2k4v s LEU 60 N 0.42 1.56 0.84 1.80 1.43 -1.09 -5.03 118.68 118.62 2k4v s LEU 60 Ca -0.12 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 2k4v s LEU 60 Cb -0.15 -0.93 0.10 0.00 0.03 0.00 0.00 46.19 45.24 2k4v s LEU 60 CO 0.04 -0.01 1.17 -0.81 0.23 0.00 0.00 176.35 176.96 2k4v n PRO 61 N 4.24 -0.02 -0.22 1.29 -0.04 -1.26 -2.04 135.00 136.96 2k4v n PRO 61 Ca -0.19 0.07 0.31 0.00 -0.04 0.00 0.00 63.50 63.65 2k4v n PRO 61 Cb 0.51 -2.40 0.62 0.00 -0.04 0.00 0.00 33.50 32.19 2k4v n PRO 61 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2k4v h ARG 62 N -1.21 0.00 0.00 0.54 0.11 -1.64 0.49 114.38 112.67 2k4v h ARG 62 Ca -0.45 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.51 2k4v h ARG 62 Cb 1.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.35 2k4v h ARG 62 CO 0.44 0.00 -0.56 0.22 0.10 0.00 0.00 179.97 180.17 2k4v h ASP 63 N 0.00 0.00 0.00 0.08 3.58 -1.90 -3.33 116.42 114.85 2k4v h ASP 63 Ca 0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.94 2k4v h ASP 63 Cb 2.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.50 2k4v h ASP 63 CO -0.01 0.56 0.00 0.35 -2.88 0.00 0.00 179.24 177.27 2k4v n THR 64 N -3.68 0.30 0.10 2.25 -2.24 0.02 -4.78 114.28 106.26 2k4v n THR 64 Ca -0.01 -0.36 0.05 0.00 -2.27 0.00 0.00 64.05 61.46 2k4v n THR 64 Cb 0.61 1.01 0.49 0.00 -2.10 0.00 0.00 70.33 70.33 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 1.77 0.00 6.98 0.00 -0.25 -1.54 119.26 126.23 2k4v h ALA 65 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k4v h ALA 65 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k4v h ALA 65 CO 0.00 0.20 0.00 1.19 0.00 0.00 0.00 179.25 180.64 2k4v n PHE 66 N -4.47 0.00 1.44 0.00 3.72 -1.26 -2.29 117.46 114.60 2k4v n PHE 66 Ca 0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.54 2k4v n PHE 66 Cb 0.10 -0.41 0.49 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.41 1.59 -0.27 4.37 4.13 -0.58 -4.38 115.26 118.72 2k4v n ASN 67 Ca 0.06 -1.55 0.04 0.00 1.68 0.00 0.00 54.58 54.81 2k4v n ASN 67 Cb 0.16 -0.01 0.18 0.00 -1.54 0.00 0.00 39.78 38.57 2k4v n ASN 67 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 2k4v h PHE 68 N 2.45 0.64 -0.23 3.10 -0.00 -1.60 -2.22 116.94 119.09 2k4v h PHE 68 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 57.97 58.06 2k4v h PHE 68 Cb 0.52 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 36.29 2k4v h PHE 68 CO 0.01 0.17 0.16 0.00 -0.00 0.00 0.00 178.31 178.65 2k4v h ALA 69 N 1.51 2.17 0.02 12.09 0.00 -1.85 0.14 119.26 133.34 2k4v h ALA 69 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 2k4v h ALA 69 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k4v h ALA 69 CO -0.34 -0.23 -0.01 1.03 0.00 0.00 0.00 179.25 179.70 2k4v h SER 70 N 0.03 -0.02 -0.14 0.00 0.87 -1.73 -3.04 113.55 109.54 2k4v h SER 70 Ca 0.11 -0.62 -0.08 0.00 -1.23 0.00 0.00 61.79 59.96 2k4v h SER 70 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2k4v h SER 70 CO -0.01 0.62 -0.24 -0.78 -0.53 0.00 0.00 176.83 175.90 2k4v h ASP 71 N -0.67 0.45 -1.04 6.23 3.58 -1.38 -1.98 116.42 121.60 2k4v h ASP 71 Ca -0.00 -0.54 0.29 0.00 0.42 0.00 0.00 57.03 57.19 2k4v h ASP 71 Cb 0.64 -0.13 -0.13 0.00 1.72 0.00 0.00 39.33 41.43 2k4v h ASP 71 CO 0.00 0.90 0.62 0.00 -2.88 0.00 0.00 179.24 177.89 2k4v h ALA 72 N 0.55 2.01 -0.21 -0.78 0.00 -0.89 0.18 119.26 120.13 2k4v h ALA 72 Ca 0.01 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2k4v h ALA 72 Cb 0.82 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k4v h ALA 72 CO 0.05 -0.53 -0.61 1.15 0.00 0.00 0.00 179.25 179.31 2k4v h THR 73 N 0.42 1.30 -0.25 0.00 2.02 -1.38 -2.70 112.91 112.32 2k4v h THR 73 Ca 0.68 -1.84 0.03 0.00 0.77 0.00 0.00 66.41 66.05 2k4v h THR 73 Cb 1.54 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 69.71 2k4v h THR 73 CO -0.48 0.58 0.07 -0.09 0.37 0.00 0.00 175.52 175.98 2k4v h ARG 74 N 0.53 0.17 -0.22 6.66 2.43 -0.32 -0.80 114.38 122.84 2k4v h ARG 74 Ca -0.01 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2k4v h ARG 74 Cb 1.20 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 2k4v h ARG 74 CO 0.12 0.11 0.08 0.28 -1.51 0.00 0.00 179.97 179.05 2k4v h VAL 75 N 0.18 0.95 -0.48 0.20 2.07 -1.09 -2.70 116.25 115.38 2k4v h VAL 75 Ca 0.11 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 2k4v h VAL 75 Cb 0.09 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2k4v h VAL 75 CO -0.13 0.03 -0.05 0.00 0.02 0.00 0.00 177.57 177.45 2k4v h ALA 76 N 1.14 0.65 -0.14 1.67 0.00 -1.23 -2.90 119.26 118.45 2k4v h ALA 76 Ca 0.10 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 2k4v h ALA 76 Cb 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2k4v h ALA 76 CO -0.10 0.49 -0.65 -0.56 0.00 0.00 0.00 179.25 178.44 2k4v h GLN 77 N 0.73 0.52 0.00 0.00 3.07 -1.14 -2.43 115.11 115.85 2k4v h GLN 77 Ca 0.13 -0.37 -0.04 0.00 0.09 0.00 0.00 58.65 58.46 2k4v h GLN 77 Cb 0.57 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.19 2k4v h GLN 77 CO 0.03 0.99 -0.18 0.87 0.09 0.00 0.00 178.83 180.63 2k4v h LYS 78 N 0.38 0.00 -0.51 0.06 1.57 -1.41 -2.25 116.57 114.41 2k4v h LYS 78 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k4v h LYS 78 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2k4v h LYS 78 CO 0.12 0.18 0.00 0.72 -0.57 0.00 0.00 179.45 179.90 2k4v n HIS 79 N -4.02 0.67 0.00 -1.35 8.25 -1.06 -4.98 115.22 112.72 2k4v n HIS 79 Ca -0.02 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 2k4v n HIS 79 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 1.51 0.12 3.03 -1.41 0.00 -0.84 -4.75 105.19 102.84 2k4v n GLY 80 Ca 0.21 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2k4v n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4v s LEU 81 N 0.00 1.72 -0.63 0.99 2.96 -1.23 -4.82 118.68 117.68 2k4v s LEU 81 Ca 0.00 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2k4v s LEU 81 Cb 0.00 0.43 0.16 0.00 0.50 0.00 0.00 46.19 47.28 2k4v s LEU 81 CO 0.00 -0.23 0.42 -1.38 -1.32 0.00 0.00 176.35 173.84 2k4v s HIS 82 N -0.84 3.17 0.19 5.38 -3.43 -1.26 -4.86 115.29 113.64 2k4v s HIS 82 Ca -0.09 -3.16 0.15 0.00 -0.80 0.00 0.00 55.06 51.16 2k4v s HIS 82 Cb -0.05 -2.51 0.52 0.00 -1.43 0.00 0.00 32.58 29.11 2k4v s HIS 82 CO 0.00 -0.62 1.67 -1.35 -2.00 0.00 0.00 174.74 172.44 2k4v h PRO 83 N 5.71 0.00 0.00 -0.38 0.11 -2.00 -2.67 132.00 132.77 2k4v h PRO 83 Ca 0.10 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 2k4v h PRO 83 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2k4v h PRO 83 CO 0.67 0.48 -0.46 -0.22 -0.21 0.00 0.00 178.00 178.25 2k4v h LYS 84 N 0.00 0.00 0.00 1.05 3.64 -2.01 -3.37 116.57 115.89 2k4v h LYS 84 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k4v h LYS 84 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2k4v h LYS 84 CO 0.06 1.00 0.00 0.35 -2.27 0.00 0.00 179.45 178.59 2k4v h PHE 85 N -1.00 0.00 -0.16 1.91 3.57 -1.99 -2.81 116.94 116.46 2k4v h PHE 85 Ca -0.13 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.38 2k4v h PHE 85 Cb 1.11 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2k4v h PHE 85 CO 0.21 0.00 0.11 0.78 -2.23 0.00 0.00 178.31 177.18 2k4v h GLY 86 N 1.97 0.20 -0.52 2.40 0.00 -1.63 -3.46 103.07 102.02 2k4v h GLY 86 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 2k4v h GLY 86 CO 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 176.54 176.41 2k4v n ALA 87 N -2.52 -0.17 -2.38 3.60 0.00 -1.06 -4.94 120.51 113.04 2k4v n ALA 87 Ca -0.00 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 2k4v n ALA 87 Cb 0.11 -1.56 -0.02 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.13 3.95 0.15 0.00 -1.09 -1.26 -4.88 121.20 115.94 2k4v s ILE 88 Ca 0.00 0.97 0.22 0.00 -2.23 0.00 0.00 60.65 59.61 2k4v s ILE 88 Cb 0.00 -4.25 0.21 0.00 -1.58 0.00 0.00 42.46 36.84 2k4v s ILE 88 CO 0.00 -0.78 1.81 0.71 -1.23 0.00 0.00 174.94 175.45 2k4v h THR 89 N 6.42 0.65 -4.03 2.92 1.35 -2.00 -3.39 112.91 114.83 2k4v h THR 89 Ca -0.27 -1.21 -0.49 0.00 -0.55 0.00 0.00 66.41 63.89 2k4v h THR 89 Cb 1.10 1.80 0.02 0.00 -1.73 0.00 0.00 68.15 69.34 2k4v h THR 89 CO 1.09 0.26 0.29 -0.13 -0.25 0.00 0.00 175.52 176.77 2k4v s ARG 90 N -3.66 3.81 -0.31 4.72 0.52 -1.26 -4.10 118.95 118.67 2k4v s ARG 90 Ca 0.00 0.72 0.00 0.00 -0.52 0.00 0.00 55.73 55.93 2k4v s ARG 90 Cb 0.11 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.36 2k4v s ARG 90 CO 0.65 -0.25 0.00 1.33 0.02 0.00 0.00 175.30 177.05 2k4v n VAL 91 N -1.75 -0.15 0.02 3.52 0.24 -1.26 -4.81 118.33 114.14 2k4v n VAL 91 Ca 0.05 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.13 2k4v n VAL 91 Cb 0.54 -0.48 -0.14 0.00 -1.47 0.00 0.00 33.84 32.29 2k4v n VAL 91 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2k4v h HIS 92 N 0.00 0.51 0.00 6.34 6.17 -1.76 -3.40 115.15 123.01 2k4v h HIS 92 Ca -0.08 -0.37 -0.11 0.00 0.71 0.00 0.00 60.37 60.52 2k4v h HIS 92 Cb 0.96 -0.02 -0.23 0.00 2.52 0.00 0.00 27.41 30.64 2k4v h HIS 92 CO 0.75 1.70 -0.80 0.36 0.71 0.00 0.00 177.93 180.66 2k4v n LYS 93 N -3.66 0.29 -0.25 5.26 2.85 -1.26 -4.91 118.16 116.49 2k4v n LYS 93 Ca -0.29 -2.01 -0.05 0.00 -1.05 0.00 0.00 58.31 54.91 2k4v n LYS 93 Cb 1.00 -0.41 0.03 0.00 -0.65 0.00 0.00 35.03 35.01 2k4v n LYS 93 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k4v n GLU 94 N 0.07 1.24 -0.27 -1.58 -0.58 -1.26 -4.30 120.64 113.96 2k4v n GLU 94 Ca 0.07 -0.58 0.04 0.00 -0.42 0.00 0.00 57.16 56.27 2k4v n GLU 94 Cb 0.97 -1.23 0.17 0.00 -0.57 0.00 0.00 31.44 30.78 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2k4v h TYR 95 N 0.23 0.69 -0.30 -0.32 5.03 -1.92 -2.19 116.97 118.18 2k4v h TYR 95 Ca 0.12 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.44 2k4v h TYR 95 Cb 1.35 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.42 2k4v h TYR 95 CO 0.31 0.21 0.07 -0.44 -1.32 0.00 0.00 178.16 176.99 2k4v h ASP 96 N 0.61 0.40 0.11 -2.11 3.32 -1.99 -0.88 116.42 115.88 2k4v h ASP 96 Ca 0.40 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 2k4v h ASP 96 Cb 0.48 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2k4v h ASP 96 CO -0.31 0.41 -0.05 0.00 -1.72 0.00 0.00 179.24 177.57 2k4v h ALA 97 N 1.65 -0.14 -0.37 3.45 0.00 -1.74 -1.51 119.26 120.60 2k4v h ALA 97 Ca 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2k4v h ALA 97 Cb 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k4v h ALA 97 CO -0.00 -0.30 0.14 0.52 0.00 0.00 0.00 179.25 179.60 2k4v h MET 98 N -0.70 0.53 0.45 0.00 2.86 -1.54 -1.46 114.93 115.06 2k4v h MET 98 Ca -0.01 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2k4v h MET 98 Cb 0.53 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2k4v h MET 98 CO 0.02 0.45 -0.22 0.35 1.06 0.00 0.00 176.91 178.58 2k4v h PHE 99 N 0.52 -0.56 0.00 -0.22 3.04 -1.09 -2.10 116.94 116.54 2k4v h PHE 99 Ca 0.13 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 2k4v h PHE 99 Cb 0.13 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 2k4v h PHE 99 CO 0.01 -0.31 -0.37 0.93 -2.02 0.00 0.00 178.31 176.54 2k4v h GLU 100 N -0.67 0.00 0.68 1.11 5.08 -1.21 -1.49 114.58 118.09 2k4v h GLU 100 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2k4v h GLU 100 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 2k4v h GLU 100 CO 0.10 0.37 -0.33 0.22 -1.00 0.00 0.00 179.01 178.37 2k4v h ASP 101 N 0.00 -0.78 -0.83 1.42 3.58 -1.22 -3.00 116.42 115.60 2k4v h ASP 101 Ca -0.00 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.45 2k4v h ASP 101 Cb 0.78 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.99 2k4v h ASP 101 CO 0.05 -0.43 0.55 0.40 -2.88 0.00 0.00 179.24 176.92 2k4v h ILE 102 N -1.13 1.21 -0.34 2.25 2.04 -1.36 -2.62 117.51 117.55 2k4v h ILE 102 Ca -0.09 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2k4v h ILE 102 Cb 0.74 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2k4v h ILE 102 CO 0.15 0.21 -0.00 0.08 0.00 0.00 0.00 178.15 178.59 2k4v h ARG 103 N 1.12 0.54 -0.05 2.37 -0.00 -1.32 -0.73 114.38 116.31 2k4v h ARG 103 Ca 0.31 -0.12 -0.07 0.00 -0.00 0.00 0.00 59.98 60.10 2k4v h ARG 103 Cb -0.13 -0.08 0.00 0.00 -0.00 0.00 0.00 29.97 29.77 2k4v h ARG 103 CO -0.07 0.57 -0.24 0.00 -0.00 0.00 0.00 179.97 180.23 2k4v h ALA 104 N 1.49 0.10 -0.86 0.08 0.00 -1.37 -2.40 119.26 116.31 2k4v h ALA 104 Ca 0.11 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2k4v h ALA 104 Cb 0.34 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2k4v h ALA 104 CO 0.01 0.10 0.54 -0.22 0.00 0.00 0.00 179.25 179.68 2k4v h LYS 105 N -0.27 0.98 -0.59 0.00 1.63 -1.32 -0.95 116.57 116.05 2k4v h LYS 105 Ca -0.01 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.66 2k4v h LYS 105 Cb 0.89 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 2k4v h LYS 105 CO 0.05 0.65 0.09 -0.07 -3.45 0.00 0.00 179.45 176.72 2k4v h LEU 106 N 1.01 0.90 -0.67 5.20 4.07 -1.13 -2.63 115.31 122.06 2k4v h LEU 106 Ca 0.36 -0.20 -0.14 0.00 0.08 0.00 0.00 57.88 57.98 2k4v h LEU 106 Cb 0.11 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 2k4v h LEU 106 CO -0.15 0.90 -0.64 -0.74 -1.08 0.00 0.00 178.44 176.73 2k4v h HIS 107 N 0.89 0.13 0.00 1.13 2.76 -1.18 -3.48 115.15 115.41 2k4v h HIS 107 Ca 0.18 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2k4v h HIS 107 Cb 0.40 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.33 2k4v h HIS 107 CO 0.03 0.71 0.00 0.00 -1.30 0.00 0.00 177.93 177.37 2k4v n ALA 108 N -2.44 0.00 -2.93 5.26 0.00 -0.38 -4.96 120.51 115.06 2k4v n ALA 108 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 2k4v n ALA 108 Cb 0.64 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.49 0.19 -0.81 0.00 3.76 -1.26 -5.06 115.29 110.62 2k4v s HIS 109 Ca 0.00 -0.43 -0.22 0.00 -0.15 0.00 0.00 55.06 54.26 2k4v s HIS 109 Cb 0.00 -0.15 -0.18 0.00 1.11 0.00 0.00 32.58 33.36 2k4v s HIS 109 CO 0.00 -0.27 2.38 -2.30 -0.85 0.00 0.00 174.74 173.71 2k4v n PRO 110 N 1.31 0.45 -1.04 8.40 -0.02 -1.26 -4.51 135.00 138.33 2k4v n PRO 110 Ca -0.22 -0.40 -0.05 0.00 -2.02 0.00 0.00 63.50 60.81 2k4v n PRO 110 Cb 0.56 -2.76 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 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 6.31 0.61 3.81 -1.23 0.00 -1.26 -5.15 105.19 108.28 2k4v n GLY 111 Ca 0.52 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 4.32 0.00 1.61 -1.05 -1.26 -5.03 118.70 117.29 2k4v s GLU 112 Ca 0.05 1.06 0.00 0.00 -0.15 0.00 0.00 54.97 55.93 2k4v s GLU 112 Cb 0.06 -2.60 0.00 0.00 -0.44 0.00 0.00 34.13 31.15 2k4v s GLU 112 CO -0.03 0.21 0.00 -0.35 0.95 0.00 0.00 175.26 176.04 2k4v n PRO 113 N 0.14 0.75 -4.85 -4.83 -0.04 -1.26 -5.13 135.00 119.77 2k4v n PRO 113 Ca 0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 2k4v n PRO 113 Cb 0.52 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 2k4v n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k4v s VAL 114 N 0.07 2.11 -1.62 0.52 0.11 -1.26 -5.05 120.40 115.28 2k4v s VAL 114 Ca 0.00 -1.40 0.29 0.00 -2.93 0.00 0.00 61.98 57.94 2k4v s VAL 114 Cb 0.00 -1.81 0.44 0.00 -1.53 0.00 0.00 36.38 33.48 2k4v s VAL 114 CO 0.00 0.34 1.85 -0.90 -3.33 0.00 0.00 175.10 173.06 2k4v n ASP 115 N 1.72 0.46 0.08 3.54 5.75 -1.26 -3.84 116.55 123.00 2k4v n ASP 115 Ca -0.17 -0.54 0.01 0.00 -0.01 0.00 0.00 54.79 54.07 2k4v n ASP 115 Cb 0.52 -0.08 0.32 0.00 -1.03 0.00 0.00 41.12 40.86 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 0.54 0.31 -0.40 -2.12 8.10 -1.99 -2.38 115.31 117.37 2k4v h LEU 116 Ca 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 57.88 57.91 2k4v h LEU 116 Cb 0.36 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.50 2k4v h LEU 116 CO 0.00 0.50 -0.06 1.21 -4.11 0.00 0.00 178.44 175.97 2k4v n GLU 117 N -4.22 1.05 0.14 0.17 2.13 -1.25 -3.64 120.64 115.02 2k4v n GLU 117 Ca -0.00 -0.40 0.11 0.00 0.66 0.00 0.00 57.16 57.52 2k4v n GLU 117 Cb 0.31 -1.49 0.05 0.00 0.27 0.00 0.00 31.44 30.58 2k4v n GLU 117 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2k4v h ARG 118 N 0.99 0.00 0.00 5.31 9.65 -1.64 -3.23 114.38 125.46 2k4v h ARG 118 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2k4v h ARG 118 Cb 0.32 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.90 2k4v h ARG 118 CO 0.00 0.04 -0.06 0.82 2.80 0.00 0.00 179.97 183.57 2k4v h ILE 119 N 0.00 0.01 -3.41 1.20 5.03 -1.66 -3.43 117.51 115.25 2k4v h ILE 119 Ca -0.01 -1.01 -0.77 0.00 -0.12 0.00 0.00 64.86 62.96 2k4v h ILE 119 Cb 1.05 0.02 -0.24 0.00 -3.03 0.00 0.00 36.82 34.61 2k4v h ILE 119 CO 0.01 0.00 -0.00 -0.63 -0.68 0.00 0.00 178.15 176.85 2k4v s ILE 120 N -1.63 5.37 -0.01 -0.67 -1.09 -1.25 -4.93 121.20 116.98 2k4v s ILE 120 Ca -0.02 -1.95 -0.00 0.00 -2.23 0.00 0.00 60.65 56.45 2k4v s ILE 120 Cb 0.00 -4.43 -0.00 0.00 -1.58 0.00 0.00 42.46 36.45 2k4v s ILE 120 CO 0.03 -0.99 -0.00 0.03 -1.23 0.00 0.00 174.94 172.78 2k4v h ARG 121 N 8.36 0.00 -1.49 2.79 -0.00 -1.83 -3.42 114.38 118.79 2k4v h ARG 121 Ca -0.08 0.00 0.12 0.00 -0.50 0.00 0.00 59.98 59.51 2k4v h ARG 121 Cb 1.07 0.00 -0.26 0.00 0.00 0.00 0.00 29.97 30.78 2k4v h ARG 121 CO 0.90 0.00 0.30 -1.58 0.00 0.00 0.00 179.97 179.60 2k4v s HIS 122 N -1.06 -0.66 0.00 3.04 5.65 -1.26 -5.06 115.29 115.94 2k4v s HIS 122 Ca -0.00 1.28 0.00 0.00 0.25 0.00 0.00 55.06 56.59 2k4v s HIS 122 Cb 0.00 0.40 0.00 0.00 -1.18 0.00 0.00 32.58 31.80 2k4v s HIS 122 CO 0.00 -0.33 0.00 0.39 -0.65 0.00 0.00 174.74 174.15 2k4v n GLU 123 N 4.07 0.00 0.00 2.88 -0.58 -1.26 -4.51 120.64 121.24 2k4v n GLU 123 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2k4v n GLU 123 Cb 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.43 2k4v n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k4v n GLY 124 N 0.00 0.44 0.89 0.62 0.00 -1.26 -5.22 105.19 100.66 2k4v n GLY 124 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k4v n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18