#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 1.72 3.51 1.69 0.00 -0.34 -4.76 105.19 107.01 2k4v n GLY 2 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2k4v n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k4v s HIS 3 N 0.00 0.06 -0.30 1.61 -3.43 -1.26 -1.26 115.29 110.71 2k4v s HIS 3 Ca 0.00 -0.42 -0.02 0.00 -0.80 0.00 0.00 55.06 53.82 2k4v s HIS 3 Cb 0.00 0.29 0.19 0.00 -1.43 0.00 0.00 32.58 31.62 2k4v s HIS 3 CO 0.00 -0.91 0.67 1.41 -2.00 0.00 0.00 174.74 173.91 2k4v s MET 4 N -3.92 0.51 -0.07 -0.38 1.75 -0.72 -4.98 119.30 111.49 2k4v s MET 4 Ca 0.13 0.85 -0.02 0.00 -1.25 0.00 0.00 55.69 55.40 2k4v s MET 4 Cb -0.00 0.46 -0.04 0.00 2.84 0.00 0.00 34.83 38.09 2k4v s MET 4 CO 0.00 -0.60 0.04 0.12 -0.65 0.00 0.00 175.02 173.93 2k4v s PHE 5 N 2.87 3.24 0.05 4.11 5.36 -1.26 -0.89 117.98 131.46 2k4v s PHE 5 Ca 0.17 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 2k4v s PHE 5 Cb -0.14 -1.79 -0.03 0.00 -0.34 0.00 0.00 43.02 40.72 2k4v s PHE 5 CO -0.20 0.53 -0.05 -1.83 -1.46 0.00 0.00 175.22 172.21 2k4v s GLU 6 N -1.14 0.54 -0.54 10.12 -1.05 -0.47 -5.02 118.70 121.14 2k4v s GLU 6 Ca 0.16 -0.95 -0.26 0.00 -0.15 0.00 0.00 54.97 53.77 2k4v s GLU 6 Cb -0.12 -0.00 -0.06 0.00 -0.44 0.00 0.00 34.13 33.51 2k4v s GLU 6 CO 0.06 -0.04 2.26 -2.14 0.95 0.00 0.00 175.26 176.35 2k4v s PRO 7 N -2.62 2.22 0.00 -4.83 0.02 -1.26 -1.96 135.00 126.56 2k4v s PRO 7 Ca -0.03 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.13 2k4v s PRO 7 Cb -0.02 -4.55 0.00 0.00 0.02 0.00 0.00 34.50 29.95 2k4v s PRO 7 CO -0.04 -3.19 0.00 0.41 -0.33 0.00 0.00 177.00 173.85 2k4v n GLY 8 N 5.97 1.79 3.46 0.52 0.00 -1.26 -5.11 105.19 110.56 2k4v n GLY 8 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.46 -0.56 0.05 1.61 5.65 -0.83 -2.33 115.29 117.42 2k4v s HIS 9 Ca 0.00 0.89 0.03 0.00 0.25 0.00 0.00 55.06 56.23 2k4v s HIS 9 Cb 0.00 0.37 -0.03 0.00 -1.18 0.00 0.00 32.58 31.75 2k4v s HIS 9 CO 0.00 -0.60 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.22 2k4v s LEU 10 N -1.41 2.26 -0.02 8.88 2.96 0.62 -1.37 118.68 130.61 2k4v s LEU 10 Ca -0.10 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.31 2k4v s LEU 10 Cb -0.01 -0.26 -0.02 0.00 0.50 0.00 0.00 46.19 46.41 2k4v s LEU 10 CO 0.06 -0.17 -0.21 -2.28 -1.32 0.00 0.00 176.35 172.44 2k4v s HIS 11 N -1.36 1.85 -0.10 5.38 5.65 -0.07 -1.02 115.29 125.62 2k4v s HIS 11 Ca -0.08 -0.36 0.03 0.00 0.25 0.00 0.00 55.06 54.89 2k4v s HIS 11 Cb -0.10 -1.20 0.01 0.00 -1.18 0.00 0.00 32.58 30.11 2k4v s HIS 11 CO 0.01 -0.04 -0.17 -0.51 -0.65 0.00 0.00 174.74 173.37 2k4v s LEU 12 N -0.45 1.83 -0.36 8.88 1.43 -0.05 -1.75 118.68 128.20 2k4v s LEU 12 Ca 0.07 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2k4v s LEU 12 Cb -0.08 -1.12 0.16 0.00 0.03 0.00 0.00 46.19 45.17 2k4v s LEU 12 CO -0.01 0.06 0.40 0.54 0.23 0.00 0.00 176.35 177.58 2k4v s VAL 13 N 0.70 -0.45 -0.49 -1.59 0.11 -0.39 -1.09 120.40 117.21 2k4v s VAL 13 Ca -0.12 -0.75 -0.28 0.00 -2.93 0.00 0.00 61.98 57.89 2k4v s VAL 13 Cb -0.16 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 2k4v s VAL 13 CO 0.03 -0.47 1.54 -0.55 -3.33 0.00 0.00 175.10 172.32 2k4v s SER 14 N 1.70 6.02 0.23 3.54 0.15 0.18 -1.20 113.70 124.33 2k4v s SER 14 Ca 0.15 0.61 -0.30 0.00 0.70 0.00 0.00 55.95 57.11 2k4v s SER 14 Cb -0.14 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 2k4v s SER 14 CO -0.10 -1.73 1.08 -1.48 1.20 0.00 0.00 173.24 172.20 2k4v s LEU 15 N 6.47 4.54 0.00 3.45 0.05 -1.26 -2.21 118.68 129.71 2k4v s LEU 15 Ca 0.61 2.15 0.00 0.00 0.05 0.00 0.00 54.13 56.95 2k4v s LEU 15 Cb -0.14 -3.62 0.00 0.00 -2.05 0.00 0.00 46.19 40.39 2k4v s LEU 15 CO 0.28 -0.13 0.00 -0.81 -0.55 0.00 0.00 176.35 175.14 2k4v n PRO 16 N 1.71 0.00 0.00 1.48 -0.04 -1.25 -4.75 135.00 132.14 2k4v n PRO 16 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2k4v n PRO 16 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 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 3.47 1.41 0.14 0.55 0.00 -1.26 -1.91 105.19 107.57 2k4v n GLY 17 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00-10.42 0.99 3.38 -2.03 -3.45 115.31 103.79 2k4v h LEU 18 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 2k4v h LEU 18 Cb 0.00 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.81 2k4v h LEU 18 CO 0.00 0.57 0.24 -0.62 0.09 0.00 0.00 178.44 178.72 2k4v s ASP 19 N -6.51 5.71 -0.23 -0.43 2.15 -0.81 -5.05 116.67 111.51 2k4v s ASP 19 Ca 0.03 0.89 0.06 0.00 0.43 0.00 0.00 52.55 53.96 2k4v s ASP 19 Cb 0.09 -1.89 -0.20 0.00 -0.30 0.00 0.00 42.92 40.61 2k4v s ASP 19 CO 0.75 -1.04 -0.08 0.00 -0.17 0.00 0.00 175.17 174.62 2k4v n GLN 20 N -2.65 0.67 -2.44 4.34 1.13 -1.26 -4.57 117.38 112.60 2k4v n GLN 20 Ca 0.05 0.12 -0.42 0.00 -1.94 0.00 0.00 57.00 54.80 2k4v n GLN 20 Cb 0.57 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.36 2k4v n GLN 20 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2k4v s GLN 21 N -2.52 3.49 -0.36 -1.09 2.00 -1.26 -4.81 119.66 115.11 2k4v s GLN 21 Ca -0.26 0.60 -0.13 0.00 -2.00 0.00 0.00 55.36 53.57 2k4v s GLN 21 Cb 0.08 -4.04 -0.00 0.00 0.80 0.00 0.00 33.01 29.85 2k4v s GLN 21 CO 0.68 -1.69 0.25 0.34 -0.50 0.00 0.00 175.29 174.38 2k4v s ASP 22 N 3.74 6.03 -0.08 6.67 -1.08 -1.26 -3.95 116.67 126.74 2k4v s ASP 22 Ca 0.53 -0.62 0.05 0.00 -0.52 0.00 0.00 52.55 51.99 2k4v s ASP 22 Cb -0.11 -2.13 -0.00 0.00 -1.46 0.00 0.00 42.92 39.22 2k4v s ASP 22 CO 0.29 -0.31 -0.24 0.27 0.52 0.00 0.00 175.17 175.70 2k4v s ILE 23 N 1.69 2.02 -0.05 4.11 -5.25 -0.94 -1.78 121.20 121.00 2k4v s ILE 23 Ca 0.05 -1.02 -0.02 0.00 -0.99 0.00 0.00 60.65 58.68 2k4v s ILE 23 Cb -0.18 -1.73 0.03 0.00 2.95 0.00 0.00 42.46 43.53 2k4v s ILE 23 CO 0.10 0.56 0.06 0.20 -1.79 0.00 0.00 174.94 174.06 2k4v s ASN 24 N 0.13 1.20 0.02 4.36 0.01 -1.17 -0.64 114.94 118.85 2k4v s ASN 24 Ca -0.12 0.05 -0.06 0.00 -0.71 0.00 0.00 52.86 52.02 2k4v s ASN 24 Cb -0.16 -0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.34 2k4v s ASN 24 CO 0.07 -0.25 0.10 -0.63 -1.51 0.00 0.00 177.10 174.87 2k4v s ILE 25 N 2.16 0.10 0.06 0.60 1.01 -0.25 -1.23 121.20 123.65 2k4v s ILE 25 Ca 0.05 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.91 2k4v s ILE 25 Cb -0.12 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 2k4v s ILE 25 CO -0.03 -0.47 -0.18 -1.00 0.00 0.00 0.00 174.94 173.25 2k4v s HIS 26 N -1.79 1.61 -0.27 3.97 3.76 0.15 -0.87 115.29 121.85 2k4v s HIS 26 Ca -0.12 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.42 2k4v s HIS 26 Cb -0.06 -0.94 0.07 0.00 1.11 0.00 0.00 32.58 32.77 2k4v s HIS 26 CO -0.01 0.10 -0.01 0.42 -0.85 0.00 0.00 174.74 174.39 2k4v s ILE 27 N -0.92 1.55 -0.15 0.60 1.01 -0.19 -2.90 121.20 120.20 2k4v s ILE 27 Ca 0.05 -1.45 -0.12 0.00 0.00 0.00 0.00 60.65 59.13 2k4v s ILE 27 Cb -0.09 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2k4v s ILE 27 CO 0.02 -0.29 0.24 -0.60 0.00 0.00 0.00 174.94 174.31 2k4v s ARG 28 N 1.35 4.08 -0.06 2.79 3.52 -0.21 -0.28 118.95 130.14 2k4v s ARG 28 Ca -0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 55.73 55.62 2k4v s ARG 28 Cb -0.19 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.86 2k4v s ARG 28 CO -0.10 0.38 -0.02 1.52 -0.81 0.00 0.00 175.30 176.27 2k4v s TYR 29 N 0.06 0.70 -0.17 5.12 1.13 -0.98 -1.67 117.35 121.53 2k4v s TYR 29 Ca 0.15 -0.19 -0.00 0.00 -1.41 0.00 0.00 57.07 55.62 2k4v s TYR 29 Cb -0.13 -0.72 0.04 0.00 -1.10 0.00 0.00 41.96 40.06 2k4v s TYR 29 CO 0.04 -0.25 -0.07 -1.21 -2.51 0.00 0.00 175.55 171.54 2k4v s GLU 30 N 1.40 1.68 -0.35 -3.49 2.02 -0.54 -4.59 118.70 114.82 2k4v s GLU 30 Ca -0.04 -0.61 -0.23 0.00 0.02 0.00 0.00 54.97 54.11 2k4v s GLU 30 Cb -0.13 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 31.98 2k4v s GLU 30 CO -0.03 -0.41 0.79 0.08 0.02 0.00 0.00 175.26 175.72 2k4v s VAL 31 N 1.55 4.74 0.27 2.63 1.01 -1.26 -1.09 120.40 128.25 2k4v s VAL 31 Ca 0.01 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.05 2k4v s VAL 31 Cb -0.15 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 2k4v s VAL 31 CO -0.08 -0.39 -0.08 -0.60 0.00 0.00 0.00 175.10 173.95 2k4v s ARG 32 N 3.09 1.53 -0.29 2.72 3.52 -0.49 -5.00 118.95 124.03 2k4v s ARG 32 Ca 0.32 -1.76 -0.03 0.00 -0.13 0.00 0.00 55.73 54.13 2k4v s ARG 32 Cb -0.13 -1.22 0.03 0.00 -1.56 0.00 0.00 34.95 32.07 2k4v s ARG 32 CO 0.16 0.09 0.01 -0.65 -0.81 0.00 0.00 175.30 174.10 2k4v s GLN 33 N -3.69 2.71 0.04 5.12 -1.52 -1.26 -1.46 119.66 119.60 2k4v s GLN 33 Ca 0.28 -1.08 -0.09 0.00 -1.95 0.00 0.00 55.36 52.52 2k4v s GLN 33 Cb 0.02 -3.20 -0.05 0.00 -0.22 0.00 0.00 33.01 29.56 2k4v s GLN 33 CO 0.11 -0.52 0.35 0.54 -0.25 0.00 0.00 175.29 175.52 2k4v s ASN 34 N 1.35 6.60 0.53 5.90 6.03 0.21 -4.98 114.94 130.57 2k4v s ASN 34 Ca -0.02 0.72 0.34 0.00 -1.03 0.00 0.00 52.86 52.87 2k4v s ASN 34 Cb -0.18 -2.15 1.54 0.00 -3.03 0.00 0.00 41.25 37.43 2k4v s ASN 34 CO -0.01 0.22 2.02 0.00 -2.03 0.00 0.00 177.10 177.30 2k4v h ALA 35 N 3.93 1.00 0.13 3.54 0.00 -2.00 0.12 119.26 125.99 2k4v h ALA 35 Ca -0.50 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2k4v h ALA 35 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k4v h ALA 35 CO 0.66 0.00 -0.06 1.49 0.00 0.00 0.00 179.25 181.33 2k4v h GLU 36 N 0.00 -0.17 0.00 0.00 4.81 -2.03 -3.40 114.58 113.79 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 0.36 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2k4v h GLU 36 CO 0.00 0.19 -0.38 0.45 -0.73 0.00 0.00 179.01 178.55 2k4v n SER 37 N -4.99 1.88 0.00 1.04 2.88 -1.21 -5.12 113.62 108.08 2k4v n SER 37 Ca -0.09 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 2k4v n SER 37 Cb 0.23 0.83 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 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 1.39 0.98 3.74 0.46 0.00 0.43 -4.90 105.19 107.29 2k4v n GLY 38 Ca 0.00 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 3.55 0.26 4.61 0.00 -1.26 -0.62 121.76 126.29 2k4v s ALA 39 Ca 0.00 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.99 2k4v s ALA 39 Cb 0.00 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 2k4v s ALA 39 CO 0.00 -0.58 0.50 1.52 0.00 0.00 0.00 175.76 177.19 2k4v s TYR 40 N 0.09 0.38 -0.12 0.00 1.13 -0.54 -1.09 117.35 117.20 2k4v s TYR 40 Ca 0.57 -0.75 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 2k4v s TYR 40 Cb -0.38 0.21 0.02 0.00 -1.10 0.00 0.00 41.96 40.72 2k4v s TYR 40 CO 0.39 -1.03 -0.11 0.08 -2.51 0.00 0.00 175.55 172.38 2k4v s VAL 41 N -3.90 1.23 -0.23 -3.49 1.01 -0.51 -1.39 120.40 113.12 2k4v s VAL 41 Ca 0.22 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 2k4v s VAL 41 Cb -0.01 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2k4v s VAL 41 CO 0.10 0.40 0.63 -2.28 0.00 0.00 0.00 175.10 173.94 2k4v s HIS 42 N 1.44 3.32 -0.10 5.22 2.46 -0.25 -2.18 115.29 125.20 2k4v s HIS 42 Ca 0.01 0.86 -0.02 0.00 0.47 0.00 0.00 55.06 56.38 2k4v s HIS 42 Cb -0.13 -2.82 -0.03 0.00 -0.13 0.00 0.00 32.58 29.46 2k4v s HIS 42 CO -0.07 -0.27 -0.01 -0.06 -2.47 0.00 0.00 174.74 171.87 2k4v s PHE 43 N 2.27 3.12 -0.11 3.88 0.08 -0.20 -1.47 117.98 125.55 2k4v s PHE 43 Ca 0.27 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.43 2k4v s PHE 43 Cb -0.16 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2k4v s PHE 43 CO 0.09 0.36 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.94 2k4v s ASP 44 N -0.62 2.31 -0.11 1.36 1.01 -0.67 -2.35 116.67 117.61 2k4v s ASP 44 Ca 0.10 -0.38 0.03 0.00 0.71 0.00 0.00 52.55 53.01 2k4v s ASP 44 Cb -0.12 -0.99 -0.00 0.00 1.01 0.00 0.00 42.92 42.81 2k4v s ASP 44 CO 0.02 -0.04 -0.22 -0.04 0.21 0.00 0.00 175.17 175.10 2k4v s MET 45 N 1.26 3.11 0.12 8.23 -1.94 -0.14 -1.04 119.30 128.90 2k4v s MET 45 Ca -0.02 -0.84 -0.15 0.00 -1.71 0.00 0.00 55.69 52.97 2k4v s MET 45 Cb -0.14 -2.36 0.03 0.00 2.01 0.00 0.00 34.83 34.37 2k4v s MET 45 CO -0.05 0.19 0.38 0.16 -0.01 0.00 0.00 175.02 175.69 2k4v s ASP 46 N 0.34 -0.20 0.00 3.03 -4.77 -1.14 -0.96 116.67 112.97 2k4v s ASP 46 Ca -0.17 -0.34 0.00 0.00 -3.30 0.00 0.00 52.55 48.73 2k4v s ASP 46 Cb -0.18 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.11 2k4v s ASP 46 CO 0.08 -0.83 0.00 0.61 0.70 0.00 0.00 175.17 175.73 2k4v n GLY 47 N -0.18 -0.56 2.83 2.12 0.00 -1.01 0.32 105.19 108.71 2k4v n GLY 47 Ca -0.16 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 2k4v n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4v s GLU 48 N -1.66 0.29 -0.23 1.61 1.03 -0.36 -1.63 118.70 117.74 2k4v s GLU 48 Ca 0.00 0.30 -0.12 0.00 0.03 0.00 0.00 54.97 55.18 2k4v s GLU 48 Cb 0.00 -0.78 -0.05 0.00 -0.80 0.00 0.00 34.13 32.51 2k4v s GLU 48 CO 0.00 -0.71 0.22 0.42 -1.33 0.00 0.00 175.26 173.86 2k4v s ILE 49 N 2.44 5.32 -0.88 1.83 1.01 -0.78 -3.06 121.20 127.09 2k4v s ILE 49 Ca 0.10 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2k4v s ILE 49 Cb -0.15 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2k4v s ILE 49 CO -0.17 0.32 0.00 -0.67 0.00 0.00 0.00 174.94 174.42 2k4v n ASP 50 N 4.35 -4.58 0.00 3.58 2.03 -0.74 -1.16 116.55 120.03 2k4v n ASP 50 Ca -0.13 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2k4v n ASP 50 Cb 0.52 -2.81 0.00 0.00 -0.72 0.00 0.00 41.12 38.11 2k4v n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4v n GLY 51 N -1.19 1.83 3.58 0.27 0.00 -1.26 -5.07 105.19 103.35 2k4v n GLY 51 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.98 3.59 0.27 1.61 1.02 -0.31 -4.98 119.74 119.97 2k4v s LYS 52 Ca 0.00 0.30 -0.29 0.00 0.02 0.00 0.00 55.97 55.99 2k4v s LYS 52 Cb 0.00 -3.92 -0.09 0.00 -0.52 0.00 0.00 37.83 33.29 2k4v s LYS 52 CO 0.00 -1.29 1.20 -1.25 -0.92 0.00 0.00 175.35 173.09 2k4v s PRO 53 N 4.02 4.50 0.05 -1.68 0.04 -1.26 -1.86 135.00 138.81 2k4v s PRO 53 Ca 0.41 1.97 -0.08 0.00 0.04 0.00 0.00 61.00 63.35 2k4v s PRO 53 Cb -0.09 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 2k4v s PRO 53 CO 0.28 -0.01 0.15 -0.59 0.04 0.00 0.00 177.00 176.88 2k4v s PHE 54 N -0.86 0.13 -0.16 0.56 -0.71 -0.64 -4.98 117.98 111.33 2k4v s PHE 54 Ca 0.48 -0.42 -0.08 0.00 -1.04 0.00 0.00 56.93 55.87 2k4v s PHE 54 Cb -0.35 -0.09 0.06 0.00 -1.21 0.00 0.00 43.02 41.43 2k4v s PHE 54 CO 0.44 -0.42 0.38 -1.54 -1.34 0.00 0.00 175.22 172.74 2k4v s SER 55 N -2.23 -0.47 0.06 1.98 1.04 -1.26 -2.40 113.70 110.41 2k4v s SER 55 Ca -0.03 0.82 -0.07 0.00 0.48 0.00 0.00 55.95 57.15 2k4v s SER 55 Cb 0.00 0.70 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 2k4v s SER 55 CO -0.05 -0.19 0.13 -0.62 0.98 0.00 0.00 173.24 173.49 2k4v s ASP 56 N 1.37 0.17 -0.04 7.02 -1.08 -0.13 -5.01 116.67 118.97 2k4v s ASP 56 Ca -0.09 -0.60 -0.05 0.00 -0.52 0.00 0.00 52.55 51.28 2k4v s ASP 56 Cb -0.09 0.27 0.01 0.00 -1.46 0.00 0.00 42.92 41.66 2k4v s ASP 56 CO -0.12 -0.61 0.12 -0.44 0.52 0.00 0.00 175.17 174.65 2k4v s SER 57 N -2.48 -0.09 0.01 -0.34 0.01 -1.26 -0.97 113.70 108.58 2k4v s SER 57 Ca 0.00 0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.39 2k4v s SER 57 Cb 0.02 0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 2k4v s SER 57 CO -0.07 -0.11 0.02 0.72 0.41 0.00 0.00 173.24 174.20 2k4v s PHE 58 N -0.25 0.12 -0.08 2.43 -0.71 -0.99 -5.03 117.98 113.48 2k4v s PHE 58 Ca -0.03 -0.25 0.03 0.00 -1.04 0.00 0.00 56.93 55.63 2k4v s PHE 58 Cb -0.02 -0.10 0.01 0.00 -1.21 0.00 0.00 43.02 41.70 2k4v s PHE 58 CO 0.00 -0.15 -0.16 -1.21 -1.34 0.00 0.00 175.22 172.37 2k4v s GLU 59 N -0.94 2.09 -0.13 1.99 2.02 -1.26 -1.03 118.70 121.43 2k4v s GLU 59 Ca -0.10 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.35 2k4v s GLU 59 Cb -0.06 -1.67 0.02 0.00 0.10 0.00 0.00 34.13 32.52 2k4v s GLU 59 CO -0.00 0.07 -0.13 -0.51 0.02 0.00 0.00 175.26 174.70 2k4v s LEU 60 N 0.59 1.59 0.96 1.80 1.43 -0.92 -5.02 118.68 119.11 2k4v s LEU 60 Ca -0.15 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 2k4v s LEU 60 Cb -0.16 -1.07 0.17 0.00 0.03 0.00 0.00 46.19 45.15 2k4v s LEU 60 CO 0.05 -0.04 1.09 -2.16 0.23 0.00 0.00 176.35 175.52 2k4v s PRO 61 N 1.35 0.72 0.53 1.29 0.04 -1.26 -1.42 135.00 136.24 2k4v s PRO 61 Ca 0.01 1.10 0.34 0.00 0.04 0.00 0.00 61.00 62.49 2k4v s PRO 61 Cb -0.13 -1.72 1.50 0.00 0.04 0.00 0.00 34.50 34.18 2k4v s PRO 61 CO -0.07 -2.69 1.81 -0.09 0.04 0.00 0.00 177.00 176.00 2k4v h ARG 62 N -1.89 0.04 -0.96 4.56 2.43 -1.46 0.56 114.38 117.66 2k4v h ARG 62 Ca -0.50 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.72 2k4v h ARG 62 Cb 1.29 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.77 2k4v h ARG 62 CO 0.49 0.02 0.62 0.22 -1.51 0.00 0.00 179.97 179.81 2k4v h ASP 63 N 0.04 1.01 0.00 -3.80 3.58 -1.91 -3.29 116.42 112.05 2k4v h ASP 63 Ca 0.55 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.00 2k4v h ASP 63 Cb 2.12 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.96 2k4v h ASP 63 CO -0.03 0.66 -0.09 0.35 -2.88 0.00 0.00 179.24 177.25 2k4v n THR 64 N -4.51 0.80 0.23 2.25 -2.24 0.05 -4.79 114.28 106.07 2k4v n THR 64 Ca 0.14 -0.89 0.06 0.00 -2.27 0.00 0.00 64.05 61.09 2k4v n THR 64 Cb 0.15 0.44 0.53 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 1.65 0.00 6.98 0.00 -0.05 -2.19 119.26 125.65 2k4v h ALA 65 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k4v h ALA 65 Cb 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k4v h ALA 65 CO 0.00 0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.66 2k4v n PHE 66 N -4.24 0.00 0.56 0.00 3.72 -1.26 -1.71 117.46 114.52 2k4v n PHE 66 Ca -0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 2k4v n PHE 66 Cb 0.24 -0.06 0.26 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.06 2.93 -0.10 4.37 3.02 -0.82 -4.68 115.26 118.92 2k4v n ASN 67 Ca 0.12 -1.92 -0.06 0.00 -0.03 0.00 0.00 54.58 52.69 2k4v n ASN 67 Cb 0.07 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 3.74 -0.12 0.00 3.10 -0.00 -1.51 -2.09 116.94 120.06 2k4v h PHE 68 Ca 0.00 0.03 -0.15 0.00 -0.00 0.00 0.00 57.97 57.84 2k4v h PHE 68 Cb 0.83 0.11 -0.02 0.00 -0.00 0.00 0.00 35.95 36.86 2k4v h PHE 68 CO 0.22 -0.12 -0.74 0.00 -0.00 0.00 0.00 178.31 177.68 2k4v h ALA 69 N 1.32 0.76 -0.13 12.09 0.00 -1.85 -0.13 119.26 131.32 2k4v h ALA 69 Ca 0.16 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2k4v h ALA 69 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k4v h ALA 69 CO -0.32 0.92 -0.26 0.77 0.00 0.00 0.00 179.25 180.36 2k4v h SER 70 N 0.00 0.46 -0.15 0.00 0.02 -1.78 -0.41 113.55 111.69 2k4v h SER 70 Ca -0.01 -0.55 -0.20 0.00 -0.84 0.00 0.00 61.79 60.19 2k4v h SER 70 Cb 1.32 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.74 2k4v h SER 70 CO 0.10 0.93 -0.69 -0.78 -1.14 0.00 0.00 176.83 175.25 2k4v h ASP 71 N 0.01 0.86 -0.98 3.07 3.58 -1.40 -1.12 116.42 120.45 2k4v h ASP 71 Ca 0.01 -0.62 0.19 0.00 0.42 0.00 0.00 57.03 57.02 2k4v h ASP 71 Cb 0.85 -0.25 -0.11 0.00 1.72 0.00 0.00 39.33 41.53 2k4v h ASP 71 CO 0.06 1.35 0.57 0.00 -2.88 0.00 0.00 179.24 178.34 2k4v h ALA 72 N 0.54 1.61 -0.20 -0.78 0.00 -1.02 -0.13 119.26 119.28 2k4v h ALA 72 Ca -0.04 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2k4v h ALA 72 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k4v h ALA 72 CO 0.14 -0.10 -0.36 1.15 0.00 0.00 0.00 179.25 180.08 2k4v h THR 73 N 0.70 1.33 0.04 0.00 2.02 -0.96 -2.75 112.91 113.29 2k4v h THR 73 Ca 0.57 -1.59 0.02 0.00 0.77 0.00 0.00 66.41 66.19 2k4v h THR 73 Cb 0.91 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 2k4v h THR 73 CO -0.40 0.49 -0.20 -0.09 0.37 0.00 0.00 175.52 175.69 2k4v h ARG 74 N 0.28 -0.33 -0.08 6.66 2.43 -0.38 -1.54 114.38 121.42 2k4v h ARG 74 Ca 0.01 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2k4v h ARG 74 Cb 0.96 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2k4v h ARG 74 CO 0.08 -0.22 -0.47 -0.24 -1.51 0.00 0.00 179.97 177.61 2k4v h VAL 75 N -0.34 1.33 -0.64 0.20 3.04 -1.16 -1.14 116.25 117.55 2k4v h VAL 75 Ca 0.05 -1.65 -0.02 0.00 -1.01 0.00 0.00 66.70 64.07 2k4v h VAL 75 Cb 0.40 1.79 -0.03 0.00 -2.01 0.00 0.00 31.29 31.44 2k4v h VAL 75 CO -0.16 0.49 0.32 0.00 -1.01 0.00 0.00 177.57 177.21 2k4v h ALA 76 N 1.35 1.37 0.03 3.17 0.00 -1.16 -2.90 119.26 121.12 2k4v h ALA 76 Ca 0.01 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 2k4v h ALA 76 Cb 0.89 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k4v h ALA 76 CO 0.07 0.50 -1.08 1.96 0.00 0.00 0.00 179.25 180.70 2k4v h GLN 77 N 0.89 0.69 -0.86 0.00 4.20 -0.87 -3.30 115.11 115.86 2k4v h GLN 77 Ca 0.22 -0.77 0.17 0.00 0.06 0.00 0.00 58.65 58.33 2k4v h GLN 77 Cb 0.06 0.23 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 2k4v h GLN 77 CO -0.03 1.34 0.57 0.87 -0.67 0.00 0.00 178.83 180.90 2k4v h LYS 78 N 0.36 0.49 -1.00 1.46 1.57 -1.02 -1.79 116.57 116.65 2k4v h LYS 78 Ca -0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2k4v h LYS 78 Cb 1.74 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.94 2k4v h LYS 78 CO 0.21 0.33 0.00 0.72 -0.57 0.00 0.00 179.45 180.14 2k4v n HIS 79 N -4.53 0.00 -3.37 -1.35 8.25 -1.16 -4.87 115.22 108.19 2k4v n HIS 79 Ca 0.18 -0.25 -0.19 0.00 -0.26 0.00 0.00 57.72 57.20 2k4v n HIS 79 Cb 0.58 -0.17 0.06 0.00 1.12 0.00 0.00 29.99 31.58 2k4v n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k4v n GLY 80 N 0.26 -1.08 0.11 -1.41 0.00 -0.67 -4.89 105.19 97.50 2k4v n GLY 80 Ca 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 46.02 46.52 2k4v n GLY 80 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2k4v h LEU 81 N -1.32 0.00 -2.34 0.99 -0.00 -1.72 -3.46 115.31 107.47 2k4v h LEU 81 Ca -0.62 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 2k4v h LEU 81 Cb 1.32 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.94 2k4v h LEU 81 CO 0.45 0.76 -1.11 1.57 -0.00 0.00 0.00 178.44 180.12 2k4v n HIS 82 N -3.51 -3.36 -1.57 0.17 -0.00 -1.26 -4.70 115.22 100.99 2k4v n HIS 82 Ca -0.00 1.68 -0.13 0.00 -0.00 0.00 0.00 57.72 59.26 2k4v n HIS 82 Cb 0.77 -3.39 -0.07 0.00 -0.00 0.00 0.00 29.99 27.29 2k4v n HIS 82 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2k4v s PRO 83 N -1.15 1.56 0.13 1.57 0.04 -1.26 -4.74 135.00 131.14 2k4v s PRO 83 Ca -0.09 0.45 -0.08 0.00 0.04 0.00 0.00 61.00 61.32 2k4v s PRO 83 Cb 0.01 -4.79 -0.08 0.00 0.04 0.00 0.00 34.50 29.68 2k4v s PRO 83 CO 0.63 -4.53 1.35 -0.22 0.04 0.00 0.00 177.00 174.27 2k4v h LYS 84 N 12.64 0.62 0.00 4.56 3.64 -1.98 -3.13 116.57 132.91 2k4v h LYS 84 Ca 0.00 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2k4v h LYS 84 Cb 1.00 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2k4v h LYS 84 CO 1.00 1.15 0.00 0.74 -2.27 0.00 0.00 179.45 180.07 2k4v h PHE 85 N 0.41 0.00 0.00 1.91 0.04 -1.98 -3.48 116.94 113.84 2k4v h PHE 85 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2k4v h PHE 85 Cb 1.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.55 2k4v h PHE 85 CO 0.07 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.19 2k4v n GLY 86 N -0.59 2.10 2.74 -1.45 0.00 -1.19 -4.16 105.19 102.64 2k4v n GLY 86 Ca -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 9.17 -2.26 -2.97 4.61 0.00 -1.26 -4.97 120.51 122.82 2k4v n ALA 87 Ca 0.00 -0.82 -0.44 0.00 0.00 0.00 0.00 53.44 52.18 2k4v n ALA 87 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 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 0.88 4.68 -1.83 0.00 -1.09 -1.26 -4.85 121.20 117.73 2k4v s ILE 88 Ca 0.29 -1.15 0.30 0.00 -2.23 0.00 0.00 60.65 57.86 2k4v s ILE 88 Cb 0.04 -4.67 0.58 0.00 -1.58 0.00 0.00 42.46 36.83 2k4v s ILE 88 CO -0.07 -1.38 1.94 0.35 -1.23 0.00 0.00 174.94 174.55 2k4v n THR 89 N 5.54 0.00 0.10 2.92 -2.24 -1.26 -4.12 114.28 115.22 2k4v n THR 89 Ca 0.08 -0.07 -0.23 0.00 -2.27 0.00 0.00 64.05 61.56 2k4v n THR 89 Cb 0.46 -0.14 -0.13 0.00 -2.10 0.00 0.00 70.33 68.42 2k4v n THR 89 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2k4v h ARG 90 N 0.64 0.60 -7.36 -0.78 -0.00 -2.05 -3.47 114.38 101.97 2k4v h ARG 90 Ca 0.00 -0.84 -0.44 0.00 -0.50 0.00 0.00 59.98 58.20 2k4v h ARG 90 Cb 0.29 0.29 0.17 0.00 0.00 0.00 0.00 29.97 30.72 2k4v h ARG 90 CO 0.00 1.39 0.17 0.14 0.00 0.00 0.00 179.97 181.66 2k4v s VAL 91 N -2.90 1.90 -1.12 2.04 -7.23 -1.26 -4.93 120.40 106.90 2k4v s VAL 91 Ca -0.09 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 59.86 2k4v s VAL 91 Cb 0.05 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.55 2k4v s VAL 91 CO 0.94 0.00 1.67 -1.00 -0.31 0.00 0.00 175.10 176.40 2k4v s HIS 92 N -2.96 2.45 0.16 2.82 3.76 -1.26 -4.98 115.29 115.29 2k4v s HIS 92 Ca 0.67 -0.76 -0.32 0.00 -0.15 0.00 0.00 55.06 54.50 2k4v s HIS 92 Cb -0.17 -4.55 -0.12 0.00 1.11 0.00 0.00 32.58 28.86 2k4v s HIS 92 CO 0.58 -1.78 1.77 0.36 -0.85 0.00 0.00 174.74 174.81 2k4v n LYS 93 N 8.64 2.74 -0.41 1.40 0.00 -1.26 -4.91 118.16 124.36 2k4v n LYS 93 Ca 0.41 0.99 -0.07 0.00 -0.00 0.00 0.00 58.31 59.65 2k4v n LYS 93 Cb 0.48 -2.86 0.08 0.00 -0.00 0.00 0.00 35.03 32.73 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 4.72 1.59 0.22 -1.58 1.02 -1.26 -4.33 120.64 121.01 2k4v n GLU 94 Ca 0.17 -1.06 -0.14 0.00 -0.02 0.00 0.00 57.16 56.11 2k4v n GLU 94 Cb 0.35 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 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 0.52 -0.53 -0.95 -0.32 3.20 -1.99 -2.71 116.97 114.19 2k4v h TYR 95 Ca 0.19 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.12 2k4v h TYR 95 Cb 1.56 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.94 2k4v h TYR 95 CO 0.53 -0.20 0.61 0.22 -1.64 0.00 0.00 178.16 177.68 2k4v h ASP 96 N -0.89 0.94 0.04 -2.11 3.58 -1.99 0.57 116.42 116.57 2k4v h ASP 96 Ca -0.06 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2k4v h ASP 96 Cb 0.56 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2k4v h ASP 96 CO 0.10 0.59 -0.02 0.00 -2.88 0.00 0.00 179.24 177.02 2k4v h ALA 97 N 1.50 -0.06 -0.04 -0.78 0.00 -1.85 -1.54 119.26 116.49 2k4v h ALA 97 Ca 0.42 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2k4v h ALA 97 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k4v h ALA 97 CO -0.17 -0.42 -0.53 1.98 0.00 0.00 0.00 179.25 180.11 2k4v h MET 98 N -0.27 0.12 0.51 0.00 1.85 -1.31 -2.73 114.93 113.09 2k4v h MET 98 Ca -0.01 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 2k4v h MET 98 Cb 0.25 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.29 2k4v h MET 98 CO 0.01 0.62 -0.24 0.35 -0.40 0.00 0.00 176.91 177.25 2k4v h PHE 99 N 0.09 -0.63 0.00 1.39 3.04 -0.75 -1.87 116.94 118.21 2k4v h PHE 99 Ca -0.00 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 2k4v h PHE 99 Cb 0.97 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 2k4v h PHE 99 CO 0.01 -0.32 -0.41 0.93 -2.02 0.00 0.00 178.31 176.50 2k4v h GLU 100 N -0.87 0.00 -0.03 1.11 4.39 -1.36 -2.00 114.58 115.81 2k4v h GLU 100 Ca -0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2k4v h GLU 100 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2k4v h GLU 100 CO 0.11 0.41 -0.01 0.22 -1.16 0.00 0.00 179.01 178.58 2k4v h ASP 101 N 0.00 0.07 -0.69 1.42 1.82 -1.48 -2.71 116.42 114.85 2k4v h ASP 101 Ca -0.00 -0.41 -0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2k4v h ASP 101 Cb 0.80 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 2k4v h ASP 101 CO 0.05 0.46 0.41 0.40 -1.61 0.00 0.00 179.24 178.96 2k4v h ILE 102 N -0.33 1.20 -0.07 2.25 2.04 -1.17 -2.11 117.51 119.32 2k4v h ILE 102 Ca 0.01 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 2k4v h ILE 102 Cb 0.44 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2k4v h ILE 102 CO 0.00 0.21 -0.26 0.08 0.00 0.00 0.00 178.15 178.18 2k4v h ARG 103 N 0.94 0.13 -0.41 2.37 -0.00 -1.43 0.15 114.38 116.13 2k4v h ARG 103 Ca 0.25 -0.04 -0.08 0.00 -0.00 0.00 0.00 59.98 60.11 2k4v h ARG 103 Cb -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 29.92 2k4v h ARG 103 CO -0.05 0.39 -0.05 0.00 -0.00 0.00 0.00 179.97 180.26 2k4v h ALA 104 N 1.62 0.55 0.00 0.08 0.00 -1.18 -2.79 119.26 117.54 2k4v h ALA 104 Ca 0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 2k4v h ALA 104 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2k4v h ALA 104 CO 0.04 0.38 -0.55 -0.22 0.00 0.00 0.00 179.25 178.90 2k4v h LYS 105 N 0.57 0.00 -0.31 0.00 1.63 -0.84 -3.02 116.57 114.60 2k4v h LYS 105 Ca 0.11 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 2k4v h LYS 105 Cb 0.55 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 2k4v h LYS 105 CO 0.03 0.55 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.50 2k4v h LEU 106 N 0.00 0.45 -1.35 5.20 3.38 -0.64 -1.36 115.31 120.99 2k4v h LEU 106 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k4v h LEU 106 Cb 1.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2k4v h LEU 106 CO 0.07 0.53 0.00 -0.74 0.09 0.00 0.00 178.44 178.40 2k4v h HIS 107 N 0.46 0.00 0.00 1.13 2.76 -1.39 -3.45 115.15 114.67 2k4v h HIS 107 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2k4v h HIS 107 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.29 2k4v h HIS 107 CO 0.01 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.64 2k4v n ALA 108 N -1.97 0.00 -2.49 5.26 0.00 -0.51 -4.88 120.51 115.92 2k4v n ALA 108 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2k4v n ALA 108 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 2k4v n ALA 108 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2k4v s HIS 109 N 0.00 3.55 -0.83 0.00 3.76 -1.26 -4.81 115.29 115.71 2k4v s HIS 109 Ca 0.00 1.50 -0.22 0.00 -0.15 0.00 0.00 55.06 56.19 2k4v s HIS 109 Cb 0.00 -3.28 -0.19 0.00 1.11 0.00 0.00 32.58 30.22 2k4v s HIS 109 CO 0.00 -0.67 2.36 -2.30 -0.85 0.00 0.00 174.74 173.28 2k4v n PRO 110 N 3.72 0.43 -2.20 8.40 -0.02 -1.25 -4.71 135.00 139.37 2k4v n PRO 110 Ca 0.07 -0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 60.63 2k4v n PRO 110 Cb 0.48 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 6.36 4.69 3.82 -1.23 0.00 -1.15 -5.02 105.19 112.65 2k4v n GLY 111 Ca 0.53 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 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 1.02 2.96 -0.62 1.61 2.02 -1.26 -4.07 118.70 120.36 2k4v s GLU 112 Ca 0.41 0.99 -0.26 0.00 0.02 0.00 0.00 54.97 56.14 2k4v s GLU 112 Cb 0.11 -1.99 -0.10 0.00 0.10 0.00 0.00 34.13 32.24 2k4v s GLU 112 CO -0.02 -1.09 2.42 -0.35 0.02 0.00 0.00 175.26 176.25 2k4v n PRO 113 N -3.02 0.82 -3.64 0.39 -0.04 -1.26 -4.87 135.00 123.38 2k4v n PRO 113 Ca 0.08 -0.31 -0.07 0.00 -0.04 0.00 0.00 63.50 63.15 2k4v n PRO 113 Cb 0.53 -3.46 -0.07 0.00 -0.04 0.00 0.00 33.50 30.47 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 12.95 0.00 -0.30 0.52 0.11 -1.26 -5.08 120.40 127.34 2k4v s VAL 114 Ca 0.98 0.00 0.12 0.00 -2.93 0.00 0.00 61.98 60.15 2k4v s VAL 114 Cb -0.20 -1.00 0.47 0.00 -1.53 0.00 0.00 36.38 34.12 2k4v s VAL 114 CO 0.21 0.00 1.14 0.47 -3.33 0.00 0.00 175.10 173.59 2k4v n ASP 115 N 2.77 3.64 -0.08 3.54 8.00 -1.26 -4.87 116.55 128.28 2k4v n ASP 115 Ca -0.15 -3.15 0.01 0.00 0.71 0.00 0.00 54.79 52.22 2k4v n ASP 115 Cb 0.56 -0.41 0.31 0.00 -0.02 0.00 0.00 41.12 41.56 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2k4v h LEU 116 N 2.41 0.64 -0.39 0.64 8.10 -2.00 -2.40 115.31 122.31 2k4v h LEU 116 Ca 0.17 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.11 2k4v h LEU 116 Cb 1.36 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 41.42 2k4v h LEU 116 CO 0.57 0.54 -0.37 1.21 -4.11 0.00 0.00 178.44 176.28 2k4v n GLU 117 N -4.39 0.63 0.00 0.17 2.13 -1.26 -4.21 120.64 113.71 2k4v n GLU 117 Ca 0.04 -0.39 0.07 0.00 0.66 0.00 0.00 57.16 57.54 2k4v n GLU 117 Cb 0.11 -1.49 0.41 0.00 0.27 0.00 0.00 31.44 30.74 2k4v n GLU 117 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2k4v n ARG 118 N -0.84 0.87 0.02 5.31 0.63 -0.90 -3.59 116.66 118.15 2k4v n ARG 118 Ca 0.10 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 57.01 2k4v n ARG 118 Cb 0.35 -1.25 -0.01 0.00 0.45 0.00 0.00 32.46 32.01 2k4v n ARG 118 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2k4v h ILE 119 N 0.00 0.00 -3.53 5.15 1.08 -1.76 -3.43 117.51 115.01 2k4v h ILE 119 Ca 0.00 -0.44 -0.71 0.00 -0.39 0.00 0.00 64.86 63.32 2k4v h ILE 119 Cb 0.00 0.00 -0.29 0.00 -3.07 0.00 0.00 36.82 33.46 2k4v h ILE 119 CO 0.00 0.00 -0.53 -0.63 -0.69 0.00 0.00 178.15 176.30 2k4v s ILE 120 N -1.74 3.92 -0.56 -0.67 1.01 -1.24 -5.01 121.20 116.92 2k4v s ILE 120 Ca -0.01 -1.42 0.06 0.00 0.00 0.00 0.00 60.65 59.28 2k4v s ILE 120 Cb 0.00 -3.38 0.21 0.00 0.01 0.00 0.00 42.46 39.31 2k4v s ILE 120 CO 0.04 -0.42 0.56 0.54 0.00 0.00 0.00 174.94 175.65 2k4v n ARG 121 N 4.83 1.49 -2.62 2.79 1.74 -1.26 -5.01 116.66 118.62 2k4v n ARG 121 Ca -0.10 -4.01 -0.42 0.00 -0.77 0.00 0.00 57.85 52.55 2k4v n ARG 121 Cb 0.43 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.45 3.51 0.05 -1.55 5.65 -1.26 -5.04 115.29 115.20 2k4v s HIS 122 Ca 0.34 1.54 -0.30 0.00 0.25 0.00 0.00 55.06 56.88 2k4v s HIS 122 Cb 0.08 -3.23 -0.05 0.00 -1.18 0.00 0.00 32.58 28.21 2k4v s HIS 122 CO -0.11 -0.46 1.08 -1.21 -0.65 0.00 0.00 174.74 173.39 2k4v s GLU 123 N 1.52 4.52 0.01 2.88 2.02 -1.26 -4.98 118.70 123.40 2k4v s GLU 123 Ca 0.52 1.59 -0.25 0.00 0.02 0.00 0.00 54.97 56.85 2k4v s GLU 123 Cb -0.22 -3.39 -0.19 0.00 0.10 0.00 0.00 34.13 30.43 2k4v s GLU 123 CO 0.24 -0.10 1.37 0.78 0.02 0.00 0.00 175.26 177.57 2k4v h GLY 124 N 6.58 0.04 0.00 -1.39 0.00 -2.06 -3.58 103.07 102.65 2k4v h GLY 124 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k4v h GLY 124 CO 0.77 0.03 0.00 1.44 0.00 0.00 0.00 176.54 178.78