#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 2.13 3.36 1.69 0.00 -1.26 -4.88 105.19 106.22 2k4v n GLY 2 Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 3.61 -3.01 1.61 -0.00 -1.26 -4.48 115.22 111.69 2k4v n HIS 3 Ca 0.00 -2.39 -0.43 0.00 -0.00 0.00 0.00 57.72 54.90 2k4v n HIS 3 Cb 0.00 -2.50 -0.05 0.00 -0.00 0.00 0.00 29.99 27.43 2k4v n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2k4v s MET 4 N 4.70 3.20 -0.08 1.57 -1.94 -1.20 -4.87 119.30 120.68 2k4v s MET 4 Ca 0.57 -0.66 -0.11 0.00 -1.71 0.00 0.00 55.69 53.78 2k4v s MET 4 Cb 0.06 -4.10 -0.05 0.00 2.01 0.00 0.00 34.83 32.75 2k4v s MET 4 CO 0.07 -1.39 0.27 0.12 -0.01 0.00 0.00 175.02 174.08 2k4v s PHE 5 N 3.27 3.63 0.08 -0.03 5.36 -1.26 -1.03 117.98 128.00 2k4v s PHE 5 Ca 0.21 0.73 -0.15 0.00 -0.96 0.00 0.00 56.93 56.76 2k4v s PHE 5 Cb -0.17 -2.14 0.03 0.00 -0.34 0.00 0.00 43.02 40.40 2k4v s PHE 5 CO 0.14 0.63 0.36 -1.83 -1.46 0.00 0.00 175.22 173.06 2k4v s GLU 6 N -0.85 0.93 -0.42 10.12 -1.05 -0.43 -5.01 118.70 121.99 2k4v s GLU 6 Ca 0.19 -0.58 -0.27 0.00 -0.15 0.00 0.00 54.97 54.16 2k4v s GLU 6 Cb -0.14 0.41 -0.07 0.00 -0.44 0.00 0.00 34.13 33.89 2k4v s GLU 6 CO 0.08 -0.33 2.37 -0.35 0.95 0.00 0.00 175.26 177.98 2k4v n PRO 7 N 0.21 1.28 0.00 -4.83 -0.04 -1.26 -2.15 135.00 128.21 2k4v n PRO 7 Ca -0.17 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2k4v n PRO 7 Cb 0.61 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.70 2k4v n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4v n GLY 8 N 5.96 0.98 3.45 0.55 0.00 -1.26 -5.09 105.19 109.77 2k4v n GLY 8 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 2k4v n GLY 8 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k4v s HIS 9 N -2.00 -0.54 -0.00 1.61 5.65 -0.91 -1.93 115.29 117.17 2k4v s HIS 9 Ca 0.00 0.82 -0.01 0.00 0.25 0.00 0.00 55.06 56.12 2k4v s HIS 9 Cb 0.00 0.36 -0.00 0.00 -1.18 0.00 0.00 32.58 31.76 2k4v s HIS 9 CO 0.00 -0.60 0.01 -1.17 -0.65 0.00 0.00 174.74 172.33 2k4v s LEU 10 N -1.48 1.98 -0.08 8.88 2.96 0.37 -1.32 118.68 130.00 2k4v s LEU 10 Ca -0.09 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2k4v s LEU 10 Cb -0.01 0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.74 2k4v s LEU 10 CO 0.05 -0.07 -0.09 -2.28 -1.32 0.00 0.00 176.35 172.63 2k4v s HIS 11 N -0.32 2.87 -0.13 5.38 5.65 -0.20 -0.91 115.29 127.63 2k4v s HIS 11 Ca -0.04 -0.11 0.02 0.00 0.25 0.00 0.00 55.06 55.18 2k4v s HIS 11 Cb -0.02 -1.72 0.00 0.00 -1.18 0.00 0.00 32.58 29.66 2k4v s HIS 11 CO -0.00 0.21 -0.20 -0.51 -0.65 0.00 0.00 174.74 173.59 2k4v s LEU 12 N -0.59 2.25 0.37 8.88 1.43 -0.23 -3.26 118.68 127.53 2k4v s LEU 12 Ca 0.09 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2k4v s LEU 12 Cb -0.12 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 2k4v s LEU 12 CO 0.02 0.11 -0.04 -0.69 0.23 0.00 0.00 176.35 175.97 2k4v s VAL 13 N 0.67 2.10 0.64 -1.59 1.01 -1.26 -1.38 120.40 120.60 2k4v s VAL 13 Ca -0.10 -2.11 -0.11 0.00 0.00 0.00 0.00 61.98 59.67 2k4v s VAL 13 Cb -0.16 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2k4v s VAL 13 CO 0.02 -0.11 1.05 -0.94 0.00 0.00 0.00 175.10 175.12 2k4v s SER 14 N -3.65 6.01 0.20 3.32 1.04 -1.26 -4.92 113.70 114.44 2k4v s SER 14 Ca 0.34 1.35 -0.32 0.00 0.48 0.00 0.00 55.95 57.80 2k4v s SER 14 Cb 0.06 -2.33 -0.15 0.00 0.10 0.00 0.00 66.02 63.70 2k4v s SER 14 CO 0.17 -1.01 1.17 0.18 0.98 0.00 0.00 173.24 174.73 2k4v n LEU 15 N -2.83 1.76 -4.68 2.42 4.77 -1.26 -4.71 117.00 112.48 2k4v n LEU 15 Ca 0.06 1.15 -0.46 0.00 -0.03 0.00 0.00 56.01 56.73 2k4v n LEU 15 Cb 0.55 -1.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 2k4v n LEU 15 CO 0.58 -1.22 1.33 -0.81 -1.33 0.00 0.00 177.39 175.94 2k4v n PRO 16 N 1.62 2.23 0.00 3.23 -0.04 -1.26 -2.08 135.00 138.70 2k4v n PRO 16 Ca 0.14 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2k4v n PRO 16 Cb 0.27 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 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 3.85 2.39 3.20 0.55 0.00 -1.26 -4.79 105.19 109.14 2k4v n GLY 17 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.58 -0.14 0.99 4.77 -0.88 -4.94 117.00 113.22 2k4v n LEU 18 Ca 0.00 -0.52 -0.06 0.00 -0.03 0.00 0.00 56.01 55.41 2k4v n LEU 18 Cb 0.00 -2.77 0.12 0.00 -2.33 0.00 0.00 43.42 38.44 2k4v n LEU 18 CO 0.00 0.42 0.86 -2.24 -1.33 0.00 0.00 177.39 175.10 2k4v h ASP 19 N -1.93 0.86 -4.19 -1.43 2.03 -1.87 -3.43 116.42 106.46 2k4v h ASP 19 Ca -0.51 -0.22 -0.46 0.00 -0.73 0.00 0.00 57.03 55.11 2k4v h ASP 19 Cb 1.31 -0.23 0.13 0.00 -0.83 0.00 0.00 39.33 39.71 2k4v h ASP 19 CO 0.46 0.92 0.29 -1.58 -1.03 0.00 0.00 179.24 178.30 2k4v s GLN 20 N -5.00 1.00 0.80 4.15 2.00 -1.26 -5.08 119.66 116.27 2k4v s GLN 20 Ca -0.10 0.26 -0.13 0.00 -2.00 0.00 0.00 55.36 53.38 2k4v s GLN 20 Cb 0.14 -1.83 0.19 0.00 0.80 0.00 0.00 33.01 32.32 2k4v s GLN 20 CO 0.83 -2.29 0.82 0.00 -0.50 0.00 0.00 175.29 174.15 2k4v n GLN 21 N -3.82 -1.97 -2.64 1.67 10.64 -1.26 -4.90 117.38 115.10 2k4v n GLN 21 Ca 0.07 -1.29 -0.42 0.00 -1.83 0.00 0.00 57.00 53.53 2k4v n GLN 21 Cb 0.59 -1.08 -0.01 0.00 -0.86 0.00 0.00 30.24 28.88 2k4v n GLN 21 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2k4v s ASP 22 N -3.84 6.71 0.01 2.61 2.15 -1.26 -4.79 116.67 118.27 2k4v s ASP 22 Ca 0.50 -2.09 0.01 0.00 0.43 0.00 0.00 52.55 51.41 2k4v s ASP 22 Cb -0.04 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.00 2k4v s ASP 22 CO 0.38 -1.25 0.02 0.27 -0.17 0.00 0.00 175.17 174.42 2k4v s ILE 23 N 4.13 4.30 -0.16 4.11 -5.25 -1.26 -1.28 121.20 125.79 2k4v s ILE 23 Ca 0.48 -0.60 -0.14 0.00 -0.99 0.00 0.00 60.65 59.40 2k4v s ILE 23 Cb 0.01 -2.95 0.04 0.00 2.95 0.00 0.00 42.46 42.51 2k4v s ILE 23 CO -0.01 0.33 0.42 0.54 -1.79 0.00 0.00 174.94 174.43 2k4v s ASN 24 N -1.72 -0.46 -0.04 4.36 2.20 -1.25 -4.06 114.94 113.96 2k4v s ASN 24 Ca 0.21 0.86 -0.03 0.00 -0.94 0.00 0.00 52.86 52.97 2k4v s ASN 24 Cb -0.12 0.85 0.02 0.00 -2.00 0.00 0.00 41.25 40.00 2k4v s ASN 24 CO 0.13 -0.16 0.10 -0.63 -2.94 0.00 0.00 177.10 173.60 2k4v s ILE 25 N 0.44 -0.02 -0.11 0.54 1.01 -0.48 -3.47 121.20 119.12 2k4v s ILE 25 Ca -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 2k4v s ILE 25 Cb -0.04 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 2k4v s ILE 25 CO -0.02 0.03 -0.01 -1.00 0.00 0.00 0.00 174.94 173.94 2k4v s HIS 26 N 0.44 3.12 -0.23 3.97 3.76 0.33 -1.07 115.29 125.61 2k4v s HIS 26 Ca -0.03 0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.91 2k4v s HIS 26 Cb -0.05 -1.86 0.07 0.00 1.11 0.00 0.00 32.58 31.85 2k4v s HIS 26 CO -0.02 0.29 0.01 0.42 -0.85 0.00 0.00 174.74 174.59 2k4v s ILE 27 N -0.41 1.00 -0.07 0.60 1.01 -0.09 -2.43 121.20 120.81 2k4v s ILE 27 Ca 0.07 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 2k4v s ILE 27 Cb -0.12 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 2k4v s ILE 27 CO 0.02 -0.24 0.43 -0.13 0.00 0.00 0.00 174.94 175.02 2k4v s ARG 28 N 1.63 4.14 -0.14 2.79 0.52 0.02 -0.48 118.95 127.43 2k4v s ARG 28 Ca -0.01 0.39 -0.01 0.00 -0.52 0.00 0.00 55.73 55.59 2k4v s ARG 28 Cb -0.18 -3.34 0.03 0.00 0.52 0.00 0.00 34.95 31.99 2k4v s ARG 28 CO -0.10 0.41 -0.06 1.52 0.02 0.00 0.00 175.30 177.10 2k4v s TYR 29 N -0.19 1.60 -0.12 -0.53 1.13 -0.81 -1.37 117.35 117.06 2k4v s TYR 29 Ca 0.24 -0.94 -0.01 0.00 -1.41 0.00 0.00 57.07 54.95 2k4v s TYR 29 Cb -0.16 -1.27 0.04 0.00 -1.10 0.00 0.00 41.96 39.47 2k4v s TYR 29 CO 0.11 -0.57 -0.02 -1.21 -2.51 0.00 0.00 175.55 171.35 2k4v s GLU 30 N 1.67 0.98 -0.34 -3.49 2.02 -1.02 -4.42 118.70 114.10 2k4v s GLU 30 Ca 0.02 -0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.53 2k4v s GLU 30 Cb -0.14 -1.53 0.02 0.00 0.10 0.00 0.00 34.13 32.58 2k4v s GLU 30 CO -0.08 -0.39 1.08 0.08 0.02 0.00 0.00 175.26 175.98 2k4v s VAL 31 N 1.83 4.47 0.30 2.63 1.01 -1.26 -1.25 120.40 128.12 2k4v s VAL 31 Ca 0.03 1.68 0.10 0.00 0.00 0.00 0.00 61.98 63.79 2k4v s VAL 31 Cb -0.14 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 2k4v s VAL 31 CO -0.07 -0.54 -0.14 -0.60 0.00 0.00 0.00 175.10 173.75 2k4v s ARG 32 N 3.75 1.70 -0.21 2.72 3.52 -0.17 -4.98 118.95 125.27 2k4v s ARG 32 Ca 0.46 -1.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.17 2k4v s ARG 32 Cb -0.12 -1.64 -0.03 0.00 -1.56 0.00 0.00 34.95 31.60 2k4v s ARG 32 CO 0.17 0.22 0.04 -0.65 -0.81 0.00 0.00 175.30 174.27 2k4v s GLN 33 N -3.58 3.72 0.05 5.12 -1.52 -1.26 -1.18 119.66 121.01 2k4v s GLN 33 Ca 0.30 -0.46 -0.10 0.00 -1.95 0.00 0.00 55.36 53.16 2k4v s GLN 33 Cb -0.01 -3.18 -0.05 0.00 -0.22 0.00 0.00 33.01 29.54 2k4v s GLN 33 CO 0.15 0.03 0.36 0.54 -0.25 0.00 0.00 175.29 176.12 2k4v s ASN 34 N 1.00 6.62 0.16 5.90 2.20 0.59 -4.99 114.94 126.42 2k4v s ASN 34 Ca 0.03 0.75 0.20 0.00 -0.94 0.00 0.00 52.86 52.90 2k4v s ASN 34 Cb -0.14 -2.16 0.84 0.00 -2.00 0.00 0.00 41.25 37.79 2k4v s ASN 34 CO 0.02 0.22 1.62 0.00 -2.94 0.00 0.00 177.10 176.02 2k4v n ALA 35 N 1.09 1.68 -0.07 3.54 0.00 -1.26 -1.24 120.51 124.26 2k4v n ALA 35 Ca -0.10 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 2k4v n ALA 35 Cb 0.52 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 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 0.00 0.00 0.00 4.81 -2.02 -3.42 114.58 113.96 2k4v h GLU 36 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k4v h GLU 36 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2k4v h GLU 36 CO 0.00 0.98 0.00 0.45 -0.73 0.00 0.00 179.01 179.71 2k4v n SER 37 N -4.61 0.29 0.00 1.04 2.88 -1.23 -5.12 113.62 106.87 2k4v n SER 37 Ca -0.10 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.79 2k4v n SER 37 Cb 0.48 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 2k4v n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k4v n GLY 38 N 0.27 1.37 3.75 0.46 0.00 -0.37 -4.93 105.19 105.73 2k4v n GLY 38 Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.94 3.44 0.27 4.61 0.00 -1.26 -0.30 121.76 126.58 2k4v s ALA 39 Ca 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 2k4v s ALA 39 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2k4v s ALA 39 CO 0.00 -0.35 0.52 1.52 0.00 0.00 0.00 175.76 177.45 2k4v s TYR 40 N -0.71 0.34 -0.11 0.00 1.13 -0.33 -1.70 117.35 115.96 2k4v s TYR 40 Ca 0.49 -0.72 0.03 0.00 -1.41 0.00 0.00 57.07 55.46 2k4v s TYR 40 Cb -0.34 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 40.79 2k4v s TYR 40 CO 0.42 -1.07 -0.22 0.08 -2.51 0.00 0.00 175.55 172.25 2k4v s VAL 41 N -3.84 1.98 -0.48 -3.49 1.01 -0.47 -1.00 120.40 114.11 2k4v s VAL 41 Ca 0.21 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 2k4v s VAL 41 Cb -0.02 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.66 2k4v s VAL 41 CO 0.10 0.54 0.79 -2.28 0.00 0.00 0.00 175.10 174.24 2k4v s HIS 42 N 0.59 2.96 -0.08 5.22 2.46 -0.38 -2.05 115.29 124.01 2k4v s HIS 42 Ca -0.13 0.03 -0.14 0.00 0.47 0.00 0.00 55.06 55.29 2k4v s HIS 42 Cb -0.17 -3.70 -0.05 0.00 -0.13 0.00 0.00 32.58 28.53 2k4v s HIS 42 CO 0.04 -1.06 0.36 -0.06 -2.47 0.00 0.00 174.74 171.55 2k4v s PHE 43 N 3.31 3.60 -0.04 3.88 0.40 -0.19 -2.42 117.98 126.52 2k4v s PHE 43 Ca 0.28 0.82 0.05 0.00 -0.60 0.00 0.00 56.93 57.47 2k4v s PHE 43 Cb -0.13 -2.32 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 2k4v s PHE 43 CO 0.21 0.45 -0.18 0.34 0.70 0.00 0.00 175.22 176.74 2k4v s ASP 44 N -0.33 2.18 -0.03 1.36 2.15 -0.47 -2.13 116.67 119.40 2k4v s ASP 44 Ca 0.21 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.85 2k4v s ASP 44 Cb -0.15 -0.55 0.02 0.00 -0.30 0.00 0.00 42.92 41.94 2k4v s ASP 44 CO 0.09 0.17 -0.02 -0.04 -0.17 0.00 0.00 175.17 175.20 2k4v s MET 45 N -0.04 0.51 0.16 4.34 -1.94 -0.09 -0.80 119.30 121.44 2k4v s MET 45 Ca -0.02 -0.03 -0.18 0.00 -1.71 0.00 0.00 55.69 53.75 2k4v s MET 45 Cb -0.11 -0.60 0.04 0.00 2.01 0.00 0.00 34.83 36.17 2k4v s MET 45 CO 0.02 -0.08 0.49 0.16 -0.01 0.00 0.00 175.02 175.60 2k4v s ASP 46 N 0.82 -0.30 0.00 3.03 -4.77 -1.02 -1.54 116.67 112.88 2k4v s ASP 46 Ca -0.09 -0.34 0.00 0.00 -3.30 0.00 0.00 52.55 48.81 2k4v s ASP 46 Cb -0.12 0.54 0.00 0.00 -1.09 0.00 0.00 42.92 42.25 2k4v s ASP 46 CO -0.01 -0.97 0.00 0.61 0.70 0.00 0.00 175.17 175.51 2k4v n GLY 47 N -0.30 -0.43 2.87 2.12 0.00 -1.07 -0.51 105.19 107.86 2k4v n GLY 47 Ca -0.13 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 0.27 -0.22 1.61 1.03 -1.23 -1.86 118.70 116.30 2k4v s GLU 48 Ca 0.00 0.44 -0.13 0.00 0.03 0.00 0.00 54.97 55.31 2k4v s GLU 48 Cb 0.00 -0.70 -0.05 0.00 -0.80 0.00 0.00 34.13 32.58 2k4v s GLU 48 CO 0.00 -0.61 0.26 0.42 -1.33 0.00 0.00 175.26 174.00 2k4v s ILE 49 N 2.46 5.30 -1.67 1.83 1.01 -0.79 -3.87 121.20 125.46 2k4v s ILE 49 Ca 0.09 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2k4v s ILE 49 Cb -0.15 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2k4v s ILE 49 CO -0.14 0.31 0.00 -0.67 0.00 0.00 0.00 174.94 174.44 2k4v n ASP 50 N 4.31 -5.14 0.00 3.58 2.03 -0.41 -1.69 116.55 119.23 2k4v n ASP 50 Ca -0.12 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2k4v n ASP 50 Cb 0.52 -4.21 0.00 0.00 -0.72 0.00 0.00 41.12 36.71 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 -0.93 0.78 3.50 0.27 0.00 -1.25 -5.03 105.19 102.53 2k4v n GLY 51 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.06 3.21 0.33 1.61 1.02 -0.68 -4.96 119.74 120.21 2k4v s LYS 52 Ca 0.00 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.15 2k4v s LYS 52 Cb 0.00 -3.95 -0.10 0.00 -0.52 0.00 0.00 37.83 33.27 2k4v s LYS 52 CO 0.00 -0.90 1.23 -1.25 -0.92 0.00 0.00 175.35 173.51 2k4v s PRO 53 N 2.42 4.36 0.00 -1.68 0.04 -1.26 -1.88 135.00 137.00 2k4v s PRO 53 Ca 0.17 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 2k4v s PRO 53 Cb -0.16 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 2k4v s PRO 53 CO 0.16 -0.12 0.03 -0.59 0.04 0.00 0.00 177.00 176.52 2k4v s PHE 54 N -1.20 0.09 -0.11 0.56 -0.71 -0.78 -4.97 117.98 110.86 2k4v s PHE 54 Ca 0.50 -0.17 -0.04 0.00 -1.04 0.00 0.00 56.93 56.18 2k4v s PHE 54 Cb -0.36 -0.07 0.05 0.00 -1.21 0.00 0.00 43.02 41.42 2k4v s PHE 54 CO 0.47 -0.14 0.09 -1.54 -1.34 0.00 0.00 175.22 172.77 2k4v s SER 55 N -0.80 1.64 0.02 1.98 1.04 -1.26 -2.61 113.70 113.71 2k4v s SER 55 Ca -0.09 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.04 2k4v s SER 55 Cb -0.05 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2k4v s SER 55 CO -0.00 -0.30 0.17 -0.62 0.98 0.00 0.00 173.24 173.48 2k4v s ASP 56 N 2.18 0.02 0.05 7.02 -1.08 -0.59 -5.04 116.67 119.22 2k4v s ASP 56 Ca 0.04 -0.28 -0.10 0.00 -0.52 0.00 0.00 52.55 51.69 2k4v s ASP 56 Cb -0.14 0.25 0.01 0.00 -1.46 0.00 0.00 42.92 41.58 2k4v s ASP 56 CO -0.06 -0.47 0.22 -0.44 0.52 0.00 0.00 175.17 174.94 2k4v s SER 57 N -1.74 0.01 -0.02 -0.34 0.01 -1.26 -0.92 113.70 109.44 2k4v s SER 57 Ca -0.10 -0.38 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 2k4v s SER 57 Cb -0.04 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.52 2k4v s SER 57 CO -0.01 -0.61 0.19 0.72 0.41 0.00 0.00 173.24 173.94 2k4v s PHE 58 N -2.83 -0.07 -0.09 2.43 -0.71 -0.91 -5.03 117.98 110.77 2k4v s PHE 58 Ca -0.03 0.12 0.02 0.00 -1.04 0.00 0.00 56.93 56.01 2k4v s PHE 58 Cb 0.00 0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.83 2k4v s PHE 58 CO -0.05 -0.26 -0.17 -1.21 -1.34 0.00 0.00 175.22 172.19 2k4v s GLU 59 N -0.98 2.28 -0.09 1.99 2.02 -1.26 -1.02 118.70 121.64 2k4v s GLU 59 Ca -0.11 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.29 2k4v s GLU 59 Cb -0.06 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.34 2k4v s GLU 59 CO 0.02 0.03 -0.09 -0.51 0.02 0.00 0.00 175.26 174.73 2k4v s LEU 60 N 0.71 1.34 0.99 1.80 1.43 -0.87 -5.00 118.68 119.08 2k4v s LEU 60 Ca -0.12 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 2k4v s LEU 60 Cb -0.16 -0.81 0.19 0.00 0.03 0.00 0.00 46.19 45.44 2k4v s LEU 60 CO 0.03 -0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.47 2k4v s PRO 61 N 1.32 0.45 0.47 1.29 0.04 -1.26 -1.37 135.00 135.94 2k4v s PRO 61 Ca -0.02 1.10 0.32 0.00 0.04 0.00 0.00 61.00 62.44 2k4v s PRO 61 Cb -0.14 -1.69 1.44 0.00 0.04 0.00 0.00 34.50 34.15 2k4v s PRO 61 CO -0.04 -2.88 1.69 -0.09 0.04 0.00 0.00 177.00 175.72 2k4v h ARG 62 N -2.02 0.12 -0.19 4.56 2.43 -1.69 0.27 114.38 117.85 2k4v h ARG 62 Ca -0.51 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.49 2k4v h ARG 62 Cb 1.29 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2k4v h ARG 62 CO 0.48 0.08 -0.56 0.22 -1.51 0.00 0.00 179.97 178.68 2k4v h ASP 63 N 0.12 0.66 -0.05 -3.80 3.58 -1.91 -3.32 116.42 111.70 2k4v h ASP 63 Ca 0.73 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2k4v h ASP 63 Cb 2.47 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 43.33 2k4v h ASP 63 CO -0.23 1.08 0.00 0.35 -2.88 0.00 0.00 179.24 177.56 2k4v n THR 64 N -3.96 0.96 0.20 2.25 -2.24 -0.23 -4.60 114.28 106.67 2k4v n THR 64 Ca -0.03 -0.98 0.12 0.00 -2.27 0.00 0.00 64.05 60.89 2k4v n THR 64 Cb 0.61 0.52 0.70 0.00 -2.10 0.00 0.00 70.33 70.06 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 0.32 2.04 0.00 6.98 0.00 -0.65 -1.36 119.26 126.60 2k4v h ALA 65 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4v h ALA 65 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k4v h ALA 65 CO 0.00 -0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.26 2k4v n PHE 66 N -4.36 0.00 0.87 0.00 3.72 -1.26 -2.18 117.46 114.26 2k4v n PHE 66 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 2k4v n PHE 66 Cb 0.23 -0.43 0.24 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.43 2.03 -0.23 4.37 3.02 -0.51 -4.45 115.26 118.05 2k4v n ASN 67 Ca 0.05 -1.91 0.04 0.00 -0.03 0.00 0.00 54.58 52.73 2k4v n ASN 67 Cb 0.17 -0.21 0.16 0.00 -0.61 0.00 0.00 39.78 39.29 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 2.37 0.37 -0.03 3.10 -0.00 -1.61 -1.57 116.94 119.58 2k4v h PHE 68 Ca 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 57.97 57.97 2k4v h PHE 68 Cb 0.53 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 36.42 2k4v h PHE 68 CO 0.21 0.01 -0.14 0.00 -0.00 0.00 0.00 178.31 178.40 2k4v h ALA 69 N 1.53 1.73 0.02 12.09 0.00 -1.86 -0.99 119.26 131.78 2k4v h ALA 69 Ca 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2k4v h ALA 69 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k4v h ALA 69 CO -0.42 0.21 -0.01 0.77 0.00 0.00 0.00 179.25 179.80 2k4v h SER 70 N 0.04 -0.03 -0.03 0.00 0.02 -1.61 -1.98 113.55 109.96 2k4v h SER 70 Ca 0.01 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 2k4v h SER 70 Cb 0.27 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k4v h SER 70 CO 0.02 0.28 -0.05 0.44 -1.14 0.00 0.00 176.83 176.37 2k4v h ASP 71 N -0.33 0.11 -0.40 3.07 3.32 -1.53 -2.31 116.42 118.35 2k4v h ASP 71 Ca -0.00 -0.54 0.08 0.00 0.02 0.00 0.00 57.03 56.59 2k4v h ASP 71 Cb 0.31 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.75 2k4v h ASP 71 CO 0.01 0.63 -0.16 0.00 -1.72 0.00 0.00 179.24 178.00 2k4v h ALA 72 N 0.48 0.17 -0.65 3.45 0.00 -1.26 -0.41 119.26 121.04 2k4v h ALA 72 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2k4v h ALA 72 Cb 0.61 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2k4v h ALA 72 CO 0.01 -0.52 0.43 1.15 0.00 0.00 0.00 179.25 180.33 2k4v h THR 73 N -0.08 1.16 -0.20 0.00 2.02 -1.45 -2.84 112.91 111.52 2k4v h THR 73 Ca 0.20 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.09 2k4v h THR 73 Cb 0.38 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2k4v h THR 73 CO -0.45 0.16 0.09 -0.09 0.37 0.00 0.00 175.52 175.60 2k4v h ARG 74 N 0.88 0.19 -0.42 6.66 2.43 -0.70 -1.21 114.38 122.20 2k4v h ARG 74 Ca 0.24 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2k4v h ARG 74 Cb -0.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2k4v h ARG 74 CO -0.06 0.13 0.12 0.28 -1.51 0.00 0.00 179.97 178.93 2k4v h VAL 75 N 0.20 1.18 0.16 0.20 2.07 -1.09 -2.37 116.25 116.59 2k4v h VAL 75 Ca 0.08 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2k4v h VAL 75 Cb 0.03 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2k4v h VAL 75 CO -0.07 0.23 -0.08 0.00 0.02 0.00 0.00 177.57 177.67 2k4v h ALA 76 N 1.54 -0.21 -0.13 1.67 0.00 -1.16 -3.21 119.26 117.76 2k4v h ALA 76 Ca 0.14 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2k4v h ALA 76 Cb 0.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k4v h ALA 76 CO -0.01 -0.34 -0.55 -0.56 0.00 0.00 0.00 179.25 177.79 2k4v h GLN 77 N -0.76 0.38 -0.25 0.00 3.07 -1.21 -2.37 115.11 113.98 2k4v h GLN 77 Ca -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 58.65 58.47 2k4v h GLN 77 Cb 0.52 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 2k4v h GLN 77 CO 0.04 0.83 0.12 0.87 0.09 0.00 0.00 178.83 180.78 2k4v h LYS 78 N 0.29 0.33 -0.62 0.06 1.57 -1.55 -2.31 116.57 114.36 2k4v h LYS 78 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2k4v h LYS 78 Cb 1.06 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2k4v h LYS 78 CO 0.09 0.27 0.00 0.72 -0.57 0.00 0.00 179.45 179.96 2k4v n HIS 79 N -4.45 1.01 -0.06 -1.35 8.25 -0.90 -4.90 115.22 112.82 2k4v n HIS 79 Ca 0.01 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 2k4v n HIS 79 Cb 0.11 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 0.78 0.87 0.00 -1.41 0.00 -0.88 -4.76 105.19 99.79 2k4v n GLY 80 Ca 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2k4v n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4v n LEU 81 N -0.06 0.00 -0.92 0.99 7.99 -1.15 -4.90 117.00 118.95 2k4v n LEU 81 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.11 2k4v n LEU 81 Cb 0.02 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.28 2k4v n LEU 81 CO 0.00 0.00 -0.35 1.41 -1.51 0.00 0.00 177.39 176.94 2k4v n HIS 82 N -1.27 -2.44 -1.48 -1.77 8.25 -1.22 -4.69 115.22 110.61 2k4v n HIS 82 Ca 0.00 1.31 -0.43 0.00 -0.26 0.00 0.00 57.72 58.34 2k4v n HIS 82 Cb 0.05 -2.22 -0.10 0.00 1.12 0.00 0.00 29.99 28.84 2k4v n HIS 82 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2k4v n PRO 83 N -3.58 0.48 0.17 -0.41 -0.02 -1.26 -4.65 135.00 125.74 2k4v n PRO 83 Ca -0.04 0.05 0.14 0.00 -2.02 0.00 0.00 63.50 61.63 2k4v n PRO 83 Cb 0.43 -2.20 0.55 0.00 -0.02 0.00 0.00 33.50 32.27 2k4v n PRO 83 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2k4v h LYS 84 N 13.84 0.00 0.02 -0.52 5.09 -1.83 -0.95 116.57 132.22 2k4v h LYS 84 Ca -0.15 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.36 2k4v h LYS 84 Cb 1.31 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.61 2k4v h LYS 84 CO 1.23 0.00 -1.14 0.35 -2.09 0.00 0.00 179.45 177.80 2k4v h PHE 85 N 0.00 0.08 0.00 0.07 3.57 -1.97 -2.85 116.94 115.84 2k4v h PHE 85 Ca 0.00 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 2k4v h PHE 85 Cb 0.40 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2k4v h PHE 85 CO 0.00 1.05 -0.45 0.78 -2.23 0.00 0.00 178.31 177.46 2k4v h GLY 86 N 2.84 0.00 -6.80 2.40 0.00 -1.57 -3.34 103.07 96.59 2k4v h GLY 86 Ca -0.07 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.66 2k4v h GLY 86 CO 0.13 0.00 -0.77 0.00 0.00 0.00 0.00 176.54 175.90 2k4v s ALA 87 N -3.89 2.34 0.94 3.60 0.00 -0.82 -5.09 121.76 118.84 2k4v s ALA 87 Ca -0.02 -2.88 -0.11 0.00 0.00 0.00 0.00 51.96 48.96 2k4v s ALA 87 Cb 0.13 -1.86 0.16 0.00 0.00 0.00 0.00 23.12 21.55 2k4v s ALA 87 CO 0.72 -2.05 1.11 0.96 0.00 0.00 0.00 175.76 176.50 2k4v s ILE 88 N -0.23 2.33 0.16 0.00 -4.36 -1.08 -4.66 121.20 113.37 2k4v s ILE 88 Ca 0.24 0.11 -0.14 0.00 -0.26 0.00 0.00 60.65 60.60 2k4v s ILE 88 Cb -0.10 -2.27 0.04 0.00 1.25 0.00 0.00 42.46 41.38 2k4v s ILE 88 CO -0.11 -0.14 1.73 0.71 0.24 0.00 0.00 174.94 177.37 2k4v h THR 89 N -1.88 1.20 0.00 8.37 1.35 -1.96 -3.47 112.91 116.52 2k4v h THR 89 Ca -0.48 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2k4v h THR 89 Cb 1.28 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2k4v h THR 89 CO 0.47 0.22 0.00 -1.14 -0.25 0.00 0.00 175.52 174.82 2k4v n ARG 90 N -4.60 0.00 -0.01 4.72 0.00 -1.26 -4.92 116.66 110.59 2k4v n ARG 90 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.86 2k4v n ARG 90 Cb 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 32.46 32.40 2k4v n ARG 90 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2k4v n VAL 91 N 0.00 0.00 -1.68 5.15 0.24 -1.26 -4.96 118.33 115.82 2k4v n VAL 91 Ca 0.00 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 2k4v n VAL 91 Cb 0.00 -0.34 -0.00 0.00 -1.47 0.00 0.00 33.84 32.03 2k4v n VAL 91 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2k4v n HIS 92 N -2.90 2.05 -4.66 6.34 -0.00 -1.26 -5.01 115.22 109.78 2k4v n HIS 92 Ca 0.00 0.57 -0.30 0.00 0.46 0.00 0.00 57.72 58.45 2k4v n HIS 92 Cb 0.01 -2.37 -0.17 0.00 -0.12 0.00 0.00 29.99 27.34 2k4v n HIS 92 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2k4v s LYS 93 N -1.89 2.60 -0.22 1.57 2.20 -1.26 -5.04 119.74 117.69 2k4v s LYS 93 Ca 0.57 -0.70 0.15 0.00 -0.36 0.00 0.00 55.97 55.62 2k4v s LYS 93 Cb -0.58 -2.11 0.61 0.00 -1.51 0.00 0.00 37.83 34.24 2k4v s LYS 93 CO 0.61 -0.00 1.54 0.39 -0.36 0.00 0.00 175.35 177.53 2k4v n GLU 94 N 4.03 3.30 0.22 4.03 4.71 -1.26 -4.69 120.64 130.98 2k4v n GLU 94 Ca -0.20 -2.97 -0.15 0.00 -0.01 0.00 0.00 57.16 53.83 2k4v n GLU 94 Cb 0.52 -1.98 -0.08 0.00 -1.01 0.00 0.00 31.44 28.89 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 2.25 -0.49 -0.06 -0.32 3.20 -1.99 -1.37 116.97 118.19 2k4v h TYR 95 Ca 0.06 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2k4v h TYR 95 Cb 1.69 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 40.12 2k4v h TYR 95 CO 0.77 -0.25 -0.21 0.22 -1.64 0.00 0.00 178.16 177.05 2k4v h ASP 96 N -0.63 0.09 -0.01 -2.11 3.58 -1.98 0.95 116.42 116.31 2k4v h ASP 96 Ca -0.05 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 2k4v h ASP 96 Cb 0.46 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 2k4v h ASP 96 CO 0.09 0.31 -0.00 0.00 -2.88 0.00 0.00 179.24 176.75 2k4v h ALA 97 N 1.70 0.02 -0.38 -0.78 0.00 -1.84 -1.64 119.26 116.34 2k4v h ALA 97 Ca 0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2k4v h ALA 97 Cb 0.43 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k4v h ALA 97 CO 0.03 -0.28 0.01 1.98 0.00 0.00 0.00 179.25 180.99 2k4v h MET 98 N -0.36 0.60 0.13 0.00 1.85 -1.11 -2.35 114.93 113.69 2k4v h MET 98 Ca 0.00 -0.13 -0.01 0.00 -0.61 0.00 0.00 59.70 58.95 2k4v h MET 98 Cb 0.40 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.35 2k4v h MET 98 CO 0.00 0.62 -0.06 0.35 -0.40 0.00 0.00 176.91 177.41 2k4v h PHE 99 N 0.57 -0.17 0.00 1.39 3.04 -0.73 -0.28 116.94 120.77 2k4v h PHE 99 Ca 0.12 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.00 2k4v h PHE 99 Cb 0.35 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 2k4v h PHE 99 CO 0.01 -0.05 -0.34 0.93 -2.02 0.00 0.00 178.31 176.84 2k4v h GLU 100 N -0.25 0.00 -0.06 1.11 4.39 -1.25 -0.94 114.58 117.58 2k4v h GLU 100 Ca -0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 2k4v h GLU 100 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2k4v h GLU 100 CO 0.03 0.34 -0.14 0.22 -1.16 0.00 0.00 179.01 178.31 2k4v h ASP 101 N 0.00 0.23 -0.61 1.42 3.58 -1.26 -3.00 116.42 116.77 2k4v h ASP 101 Ca -0.00 -0.58 0.03 0.00 0.42 0.00 0.00 57.03 56.90 2k4v h ASP 101 Cb 0.66 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 2k4v h ASP 101 CO 0.04 0.76 0.38 0.40 -2.88 0.00 0.00 179.24 177.94 2k4v h ILE 102 N -0.30 1.08 0.00 2.25 2.04 -0.87 -0.83 117.51 120.89 2k4v h ILE 102 Ca 0.00 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2k4v h ILE 102 Cb 0.73 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2k4v h ILE 102 CO 0.03 0.14 -0.13 0.08 0.00 0.00 0.00 178.15 178.27 2k4v h ARG 103 N 0.74 0.00 0.09 2.37 -0.00 -1.26 -1.15 114.38 115.17 2k4v h ARG 103 Ca 0.24 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.22 2k4v h ARG 103 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.99 2k4v h ARG 103 CO -0.10 0.13 -0.04 0.00 -0.00 0.00 0.00 179.97 179.96 2k4v h ALA 104 N 1.87 -0.11 -0.76 0.08 0.00 -1.22 -3.00 119.26 116.12 2k4v h ALA 104 Ca -0.00 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2k4v h ALA 104 Cb 0.24 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2k4v h ALA 104 CO 0.02 -0.24 0.49 0.87 0.00 0.00 0.00 179.25 180.38 2k4v h LYS 105 N -0.76 0.93 0.00 0.00 1.79 -0.80 -2.05 116.57 115.67 2k4v h LYS 105 Ca -0.01 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 2k4v h LYS 105 Cb 0.58 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2k4v h LYS 105 CO 0.02 0.62 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.81 2k4v h LEU 106 N 0.96 0.00 -0.61 2.94 -0.00 -1.36 -1.44 115.31 115.80 2k4v h LEU 106 Ca 0.30 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.11 2k4v h LEU 106 Cb -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2k4v h LEU 106 CO -0.10 0.13 -0.35 -0.74 -0.00 0.00 0.00 178.44 177.37 2k4v h HIS 107 N 0.00 0.00 -3.57 1.13 2.76 -1.27 -3.45 115.15 110.74 2k4v h HIS 107 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k4v h HIS 107 Cb 0.67 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 2k4v h HIS 107 CO 0.00 0.35 -0.29 0.00 -1.30 0.00 0.00 177.93 176.69 2k4v n ALA 108 N -2.23 -3.14 -2.56 5.26 0.00 -0.54 -5.10 120.51 112.18 2k4v n ALA 108 Ca 0.01 0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.42 2k4v n ALA 108 Cb 0.57 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.41 2.69 -0.99 0.00 3.76 -1.23 -5.02 115.29 114.09 2k4v s HIS 109 Ca -0.01 -0.34 -0.23 0.00 -0.15 0.00 0.00 55.06 54.33 2k4v s HIS 109 Cb 0.00 -1.48 -0.13 0.00 1.11 0.00 0.00 32.58 32.08 2k4v s HIS 109 CO 0.21 0.45 1.92 -2.30 -0.85 0.00 0.00 174.74 174.17 2k4v n PRO 110 N -1.05 1.43 0.00 8.40 -0.02 -1.26 -4.72 135.00 137.78 2k4v n PRO 110 Ca -0.04 -2.16 0.00 0.00 -2.02 0.00 0.00 63.50 59.28 2k4v n PRO 110 Cb 0.61 -3.41 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 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 5.33 2.21 3.81 -1.23 0.00 -1.26 -4.92 105.19 109.14 2k4v n GLY 111 Ca 0.46 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 4.26 1.04 1.61 2.02 -1.26 -4.85 118.70 121.52 2k4v s GLU 112 Ca 0.00 1.18 -0.13 0.00 0.02 0.00 0.00 54.97 56.04 2k4v s GLU 112 Cb 0.00 -2.29 0.15 0.00 0.10 0.00 0.00 34.13 32.09 2k4v s GLU 112 CO 0.00 -0.00 0.68 -2.30 0.02 0.00 0.00 175.26 173.66 2k4v n PRO 113 N -0.44 -1.20 -2.20 0.39 -0.02 -1.26 -4.82 135.00 125.45 2k4v n PRO 113 Ca 0.06 -0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 60.81 2k4v n PRO 113 Cb 0.53 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 2k4v n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k4v s VAL 114 N -2.43 3.79 -0.29 -1.45 0.11 -1.26 -4.91 120.40 113.96 2k4v s VAL 114 Ca 0.62 1.07 0.02 0.00 -2.93 0.00 0.00 61.98 60.77 2k4v s VAL 114 Cb -0.21 -3.69 0.27 0.00 -1.53 0.00 0.00 36.38 31.22 2k4v s VAL 114 CO 0.64 -0.05 1.27 0.47 -3.33 0.00 0.00 175.10 174.10 2k4v n ASP 115 N 6.17 3.18 0.20 3.54 8.00 -1.26 -4.12 116.55 132.25 2k4v n ASP 115 Ca 0.15 -2.55 0.04 0.00 0.71 0.00 0.00 54.79 53.13 2k4v n ASP 115 Cb 0.44 -0.62 0.44 0.00 -0.02 0.00 0.00 41.12 41.36 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2k4v h LEU 116 N 1.11 0.02 -2.10 0.64 8.10 -2.04 -2.63 115.31 118.42 2k4v h LEU 116 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.17 2k4v h LEU 116 Cb 1.57 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 41.78 2k4v h LEU 116 CO 0.37 0.27 0.00 -1.84 -4.11 0.00 0.00 178.44 173.13 2k4v n GLU 117 N -4.24 2.33 0.00 0.17 0.28 -1.26 -4.29 120.64 113.63 2k4v n GLU 117 Ca -0.02 -2.06 0.12 0.00 -0.16 0.00 0.00 57.16 55.04 2k4v n GLU 117 Cb 0.30 -1.45 0.53 0.00 1.43 0.00 0.00 31.44 32.25 2k4v n GLU 117 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2k4v n ARG 118 N 1.18 0.06 -0.11 3.44 0.63 -0.99 -2.66 116.66 118.20 2k4v n ARG 118 Ca 0.19 0.08 -0.13 0.00 -0.92 0.00 0.00 57.85 57.08 2k4v n ARG 118 Cb 0.49 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.89 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 1.27 -3.53 5.15 5.03 -1.79 -3.37 117.51 120.27 2k4v h ILE 119 Ca 0.00 -1.56 -0.70 0.00 -0.12 0.00 0.00 64.86 62.48 2k4v h ILE 119 Cb 0.38 1.39 -0.35 0.00 -3.03 0.00 0.00 36.82 35.21 2k4v h ILE 119 CO 0.00 0.52 -0.33 -0.63 -0.68 0.00 0.00 178.15 177.04 2k4v s ILE 120 N -4.39 3.82 0.11 -0.67 1.01 -1.09 -5.05 121.20 114.94 2k4v s ILE 120 Ca -0.11 -3.08 0.00 0.00 0.00 0.00 0.00 60.65 57.46 2k4v s ILE 120 Cb 0.11 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 2k4v s ILE 120 CO 0.88 -0.91 0.00 0.54 0.00 0.00 0.00 174.94 175.45 2k4v n ARG 121 N 3.33 1.64 -4.73 2.79 5.12 -1.26 -4.99 116.66 118.55 2k4v n ARG 121 Ca 0.10 -0.82 -0.29 0.00 -1.93 0.00 0.00 57.85 54.91 2k4v n ARG 121 Cb 0.38 0.24 -0.17 0.00 -1.16 0.00 0.00 32.46 31.75 2k4v n ARG 121 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2k4v s HIS 122 N -1.46 2.02 0.09 -1.55 2.46 -1.26 -5.05 115.29 110.54 2k4v s HIS 122 Ca 0.00 -0.86 -0.03 0.00 0.47 0.00 0.00 55.06 54.64 2k4v s HIS 122 Cb 0.00 -1.42 -0.25 0.00 -0.13 0.00 0.00 32.58 30.78 2k4v s HIS 122 CO 0.00 -0.41 1.18 1.05 -2.47 0.00 0.00 174.74 174.10 2k4v h GLU 123 N 7.07 0.24 -5.20 2.88 -0.00 -2.03 -3.43 114.58 114.11 2k4v h GLU 123 Ca -0.28 -0.39 -0.62 0.00 -0.00 0.00 0.00 59.36 58.07 2k4v h GLU 123 Cb 1.20 0.14 -0.14 0.00 -0.00 0.00 0.00 28.75 29.95 2k4v h GLU 123 CO 0.48 1.17 -0.31 0.20 -0.00 0.00 0.00 179.01 180.56 2k4v s GLY 124 N -4.64 1.97 0.00 1.06 0.00 -1.26 -5.37 107.32 99.07 2k4v s GLY 124 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2k4v s GLY 124 CO 0.87 0.78 0.11 1.44 0.00 0.00 0.00 173.10 176.30