#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3g n LEU 2 N 0.00 -1.05 -4.68 -0.89 0.00 -1.26 -3.85 117.00 105.27 1j3g n LEU 2 Ca 0.00 0.60 -0.36 0.00 0.00 0.00 0.00 56.01 56.24 1j3g n LEU 2 Cb 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 43.42 42.27 1j3g n LEU 2 CO 0.00 -3.84 -0.12 -0.76 0.00 0.00 0.00 177.39 172.68 1j3g s LEU 3 N 2.18 4.15 0.06 -1.96 1.02 -1.26 -2.75 118.68 120.12 1j3g s LEU 3 Ca 0.61 0.23 0.02 0.00 0.02 0.00 0.00 54.13 55.02 1j3g s LEU 3 Cb -0.39 -2.20 -0.03 0.00 0.02 0.00 0.00 46.19 43.59 1j3g s LEU 3 CO 0.62 0.06 -0.07 -0.62 0.02 0.00 0.00 176.35 176.36 1j3g s ASP 4 N 0.88 0.93 -1.70 2.29 2.15 -0.83 -4.90 116.67 115.50 1j3g s ASP 4 Ca 0.10 -0.73 -0.15 0.00 0.43 0.00 0.00 52.55 52.21 1j3g s ASP 4 Cb -0.13 0.06 0.14 0.00 -0.30 0.00 0.00 42.92 42.69 1j3g s ASP 4 CO 0.04 -0.32 0.55 -0.62 -0.17 0.00 0.00 175.17 174.65 1j3g n GLU 5 N 0.87 -2.07 -0.98 4.34 -0.58 -1.26 -0.99 120.64 119.97 1j3g n GLU 5 Ca -0.19 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1j3g n GLU 5 Cb 0.57 -4.66 0.00 0.00 -0.57 0.00 0.00 31.44 26.78 1j3g n GLU 5 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j3g n GLY 6 N -1.57 0.34 3.38 0.62 0.00 -1.26 -4.99 105.19 101.71 1j3g n GLY 6 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1j3g n GLY 6 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j3g s TRP 7 N -1.75 1.75 -0.25 1.61 0.52 -0.16 -4.01 118.94 116.66 1j3g s TRP 7 Ca 0.00 -1.08 -0.10 0.00 0.02 0.00 0.00 56.10 54.94 1j3g s TRP 7 Cb 0.00 -1.09 -0.05 0.00 -1.15 0.00 0.00 33.47 31.18 1j3g s TRP 7 CO 0.00 -0.17 0.14 -1.17 0.02 0.00 0.00 176.95 175.77 1j3g s LEU 8 N -3.40 3.96 0.31 2.99 0.20 -1.26 -1.96 118.68 119.51 1j3g s LEU 8 Ca 0.37 0.03 -0.17 0.00 0.69 0.00 0.00 54.13 55.05 1j3g s LEU 8 Cb 0.08 -2.07 -0.09 0.00 -0.43 0.00 0.00 46.19 43.68 1j3g s LEU 8 CO 0.15 0.03 0.76 0.00 -0.29 0.00 0.00 176.35 177.00 1j3g s ALA 9 N 1.25 3.32 -0.62 5.97 0.00 -1.11 -4.43 121.76 126.14 1j3g s ALA 9 Ca 0.07 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 1j3g s ALA 9 Cb -0.14 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.17 1j3g s ALA 9 CO 0.06 0.31 0.64 0.39 0.00 0.00 0.00 175.76 177.16 1j3g n GLU 10 N -0.07 -1.79 -3.48 0.00 4.71 -1.26 -0.72 120.64 118.04 1j3g n GLU 10 Ca 0.02 1.35 -0.14 0.00 -0.01 0.00 0.00 57.16 58.39 1j3g n GLU 10 Cb 0.53 -3.43 -0.04 0.00 -1.01 0.00 0.00 31.44 27.49 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j3g s ALA 11 N -2.43 -1.72 -0.11 0.62 0.00 -1.26 -1.77 121.76 115.09 1j3g s ALA 11 Ca 0.17 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.79 1j3g s ALA 11 Cb -0.03 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1j3g s ALA 11 CO 0.84 -0.57 1.16 0.50 0.00 0.00 0.00 175.76 177.69 1j3g s ARG 12 N -2.51 4.32 -0.02 0.00 3.52 -0.40 -4.90 118.95 118.97 1j3g s ARG 12 Ca -0.03 1.59 -0.15 0.00 -0.13 0.00 0.00 55.73 57.00 1j3g s ARG 12 Cb -0.01 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 1j3g s ARG 12 CO -0.03 -0.51 0.41 -0.98 -0.81 0.00 0.00 175.30 173.39 1j3g s ARG 13 N 2.61 3.99 -0.46 5.12 1.70 -1.26 -1.04 118.95 129.60 1j3g s ARG 13 Ca 0.53 0.41 0.05 0.00 -0.47 0.00 0.00 55.73 56.25 1j3g s ARG 13 Cb -0.22 -3.25 0.20 0.00 -0.57 0.00 0.00 34.95 31.11 1j3g s ARG 13 CO 0.18 0.61 0.44 0.28 -1.08 0.00 0.00 175.30 175.72 1j3g n VAL 14 N 2.10 -0.48 -2.13 4.99 0.31 0.26 -4.94 118.33 118.44 1j3g n VAL 14 Ca -0.13 -3.88 -0.42 0.00 -0.01 0.00 0.00 64.34 59.90 1j3g n VAL 14 Cb 0.52 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 1j3g n VAL 14 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1j3g s PRO 15 N -0.64 4.26 -0.17 5.55 0.04 -1.26 -4.15 135.00 138.64 1j3g s PRO 15 Ca 0.33 2.09 -0.04 0.00 0.04 0.00 0.00 61.00 63.42 1j3g s PRO 15 Cb 0.07 -3.53 0.08 0.00 0.04 0.00 0.00 34.50 31.16 1j3g s PRO 15 CO -0.16 -0.60 0.20 0.45 0.04 0.00 0.00 177.00 176.93 1j3g s SER 16 N 1.90 1.21 -1.51 6.66 0.15 -1.26 -5.03 113.70 115.82 1j3g s SER 16 Ca 0.67 -0.04 -0.12 0.00 0.70 0.00 0.00 55.95 57.16 1j3g s SER 16 Cb -0.35 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1j3g s SER 16 CO 0.29 -0.30 2.52 -0.81 1.20 0.00 0.00 173.24 176.13 1j3g n PRO 17 N 5.32 3.35 -2.49 5.44 -0.04 -1.26 -4.29 135.00 141.03 1j3g n PRO 17 Ca -0.05 -2.55 -0.14 0.00 -0.04 0.00 0.00 63.50 60.72 1j3g n PRO 17 Cb 0.50 -3.03 0.03 0.00 -0.04 0.00 0.00 33.50 30.95 1j3g n PRO 17 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j3g n HIS 18 N 4.68 2.08 -1.75 0.54 -0.00 -1.26 -5.11 115.22 114.41 1j3g n HIS 18 Ca 0.63 -2.46 -0.30 0.00 0.46 0.00 0.00 57.72 56.05 1j3g n HIS 18 Cb 0.32 -0.27 0.20 0.00 -0.12 0.00 0.00 29.99 30.12 1j3g n HIS 18 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1j3g s TYR 19 N -3.57 1.26 0.53 1.57 2.02 -1.26 -4.55 117.35 113.35 1j3g s TYR 19 Ca 0.38 0.33 0.04 0.00 -0.37 0.00 0.00 57.07 57.45 1j3g s TYR 19 Cb 0.39 -4.01 0.02 0.00 -0.40 0.00 0.00 41.96 37.96 1j3g s TYR 19 CO -0.03 -2.98 0.29 -0.51 -1.57 0.00 0.00 175.55 170.75 1j3g s ASP 20 N -4.70 4.50 -0.30 2.29 1.01 -1.01 -4.98 116.67 113.48 1j3g s ASP 20 Ca 0.74 -1.34 -0.11 0.00 0.71 0.00 0.00 52.55 52.55 1j3g s ASP 20 Cb -0.05 0.40 0.15 0.00 1.01 0.00 0.00 42.92 44.43 1j3g s ASP 20 CO 0.54 -1.01 0.81 0.00 0.21 0.00 0.00 175.17 175.72 1j3g s ARG 22 N 2.71 0.62 -1.00 0.00 3.00 -1.26 -5.08 118.95 117.94 1j3g s ARG 22 Ca -0.02 -1.05 -0.23 0.00 0.00 0.00 0.00 55.73 54.43 1j3g s ARG 22 Cb -0.10 0.23 -0.01 0.00 0.00 0.00 0.00 34.95 35.07 1j3g s ARG 22 CO -0.18 -0.14 1.77 -1.25 0.00 0.00 0.00 175.30 175.50 1j3g s PRO 23 N -3.50 2.99 -0.05 3.54 0.04 -1.26 -4.87 135.00 131.89 1j3g s PRO 23 Ca 0.03 -0.79 -0.08 0.00 0.04 0.00 0.00 61.00 60.20 1j3g s PRO 23 Cb 0.05 -5.22 0.02 0.00 0.04 0.00 0.00 34.50 29.38 1j3g s PRO 23 CO -0.09 -2.99 0.19 -0.51 0.04 0.00 0.00 177.00 173.65 1j3g s ASP 24 N 6.58 -0.15 -0.27 6.66 1.01 -1.26 -5.06 116.67 124.18 1j3g s ASP 24 Ca 0.61 0.22 0.00 0.00 0.71 0.00 0.00 52.55 54.09 1j3g s ASP 24 Cb -0.03 0.35 0.15 0.00 1.01 0.00 0.00 42.92 44.40 1j3g s ASP 24 CO -0.01 -0.18 0.39 -1.81 0.21 0.00 0.00 175.17 173.77 1j3g s ASP 25 N -0.39 0.43 0.12 0.27 1.01 -1.26 -5.09 116.67 111.75 1j3g s ASP 25 Ca -0.05 -0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.01 1j3g s ASP 25 Cb -0.03 1.07 -0.04 0.00 1.01 0.00 0.00 42.92 44.92 1j3g s ASP 25 CO 0.01 -0.34 -0.01 -0.70 0.21 0.00 0.00 175.17 174.34 1j3g s GLU 26 N 2.53 0.90 -0.03 8.23 2.12 -1.26 -5.11 118.70 126.08 1j3g s GLU 26 Ca 0.11 -1.40 -0.30 0.00 0.36 0.00 0.00 54.97 53.74 1j3g s GLU 26 Cb -0.14 -0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.17 1j3g s GLU 26 CO -0.26 -0.13 1.48 1.21 -0.54 0.00 0.00 175.26 177.02 1j3g s ASN 27 N -3.06 6.79 -0.63 -1.70 2.47 -1.26 -4.91 114.94 112.63 1j3g s ASN 27 Ca 0.18 2.13 -0.28 0.00 0.42 0.00 0.00 52.86 55.31 1j3g s ASN 27 Cb 0.07 -2.55 0.02 0.00 -1.45 0.00 0.00 41.25 37.34 1j3g s ASN 27 CO -0.02 -0.79 1.33 -2.16 -3.72 0.00 0.00 177.10 171.74 1j3g s PRO 28 N 2.97 3.28 -0.41 0.43 0.04 -1.26 -4.74 135.00 135.31 1j3g s PRO 28 Ca 0.66 0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.87 1j3g s PRO 28 Cb -0.32 -4.13 0.20 0.00 0.04 0.00 0.00 34.50 30.30 1j3g s PRO 28 CO 0.26 -1.99 0.94 0.45 0.04 0.00 0.00 177.00 176.71 1j3g s SER 29 N 4.00 -0.78 -0.20 6.66 0.15 -1.26 -4.50 113.70 117.78 1j3g s SER 29 Ca 0.45 -0.91 -0.08 0.00 0.70 0.00 0.00 55.95 56.11 1j3g s SER 29 Cb -0.09 1.02 0.08 0.00 -1.71 0.00 0.00 66.02 65.32 1j3g s SER 29 CO 0.21 -0.03 0.44 -0.22 1.20 0.00 0.00 173.24 174.85 1j3g s LEU 30 N 0.98 -0.49 -0.22 3.45 1.98 -1.26 -4.40 118.68 118.71 1j3g s LEU 30 Ca 0.26 1.02 -0.11 0.00 -2.89 0.00 0.00 54.13 52.40 1j3g s LEU 30 Cb 0.07 1.46 -0.05 0.00 0.66 0.00 0.00 46.19 48.33 1j3g s LEU 30 CO -0.08 -0.22 0.18 -0.22 -1.89 0.00 0.00 176.35 174.12 1j3g s LEU 31 N 2.14 4.15 -0.00 -0.68 1.98 -0.88 -3.24 118.68 122.15 1j3g s LEU 31 Ca -0.05 0.19 0.01 0.00 -2.89 0.00 0.00 54.13 51.39 1j3g s LEU 31 Cb -0.10 -2.15 -0.04 0.00 0.66 0.00 0.00 46.19 44.56 1j3g s LEU 31 CO -0.13 0.08 0.03 -0.69 -1.89 0.00 0.00 176.35 173.75 1j3g s VAL 32 N 0.89 4.38 -0.05 1.68 1.01 -1.20 -1.32 120.40 125.78 1j3g s VAL 32 Ca 0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1j3g s VAL 32 Cb -0.13 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1j3g s VAL 32 CO 0.03 0.36 0.00 -0.69 0.00 0.00 0.00 175.10 174.81 1j3g s VAL 33 N -1.13 0.30 -0.26 2.92 1.01 0.88 -4.06 120.40 120.07 1j3g s VAL 33 Ca 0.21 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 1j3g s VAL 33 Cb -0.12 -0.43 0.17 0.00 0.00 0.00 0.00 36.38 36.00 1j3g s VAL 33 CO 0.12 0.22 1.26 -1.38 0.00 0.00 0.00 175.10 175.31 1j3g s HIS 34 N 1.59 -0.16 -0.40 5.22 -3.43 -1.26 -3.81 115.29 113.04 1j3g s HIS 34 Ca -0.01 0.32 -0.23 0.00 -0.80 0.00 0.00 55.06 54.34 1j3g s HIS 34 Cb -0.13 0.47 0.02 0.00 -1.43 0.00 0.00 32.58 31.51 1j3g s HIS 34 CO -0.03 -0.12 0.77 1.21 -2.00 0.00 0.00 174.74 174.57 1j3g s ASN 35 N -0.70 6.47 0.39 7.38 2.47 -1.26 -3.64 114.94 126.05 1j3g s ASN 35 Ca 0.05 0.12 0.04 0.00 0.42 0.00 0.00 52.86 53.49 1j3g s ASN 35 Cb -0.02 -2.39 -0.04 0.00 -1.45 0.00 0.00 41.25 37.35 1j3g s ASN 35 CO -0.07 -0.81 0.07 -0.63 -3.72 0.00 0.00 177.10 171.94 1j3g s ILE 36 N 3.17 1.02 -0.09 -5.21 -1.09 -1.21 -4.91 121.20 112.88 1j3g s ILE 36 Ca 0.30 -2.00 -0.04 0.00 -2.23 0.00 0.00 60.65 56.69 1j3g s ILE 36 Cb -0.13 -2.56 0.05 0.00 -1.58 0.00 0.00 42.46 38.24 1j3g s ILE 36 CO 0.20 0.00 0.18 -0.55 -1.23 0.00 0.00 174.94 173.53 1j3g s SER 37 N -3.60 0.53 0.14 3.58 0.15 -1.26 -1.65 113.70 111.59 1j3g s SER 37 Ca 0.28 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1j3g s SER 37 Cb 0.06 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1j3g s SER 37 CO 0.14 -0.23 0.00 -0.11 1.20 0.00 0.00 173.24 174.24 1j3g n LEU 38 N 5.13 -0.24 -4.86 3.45 -0.00 -1.26 -5.01 117.00 114.20 1j3g n LEU 38 Ca -0.09 0.24 -0.31 0.00 -0.00 0.00 0.00 56.01 55.85 1j3g n LEU 38 Cb 0.50 0.35 -0.01 0.00 -0.00 0.00 0.00 43.42 44.26 1j3g n LEU 38 CO 0.06 -0.59 0.69 -2.16 -0.00 0.00 0.00 177.39 175.40 1j3g s PRO 39 N -1.44 3.74 0.00 1.96 0.04 -1.26 -4.81 135.00 133.23 1j3g s PRO 39 Ca 0.00 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1j3g s PRO 39 Cb 0.00 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1j3g s PRO 39 CO 0.00 -0.43 0.55 -0.35 0.04 0.00 0.00 177.00 176.81 1j3g n PRO 40 N -2.24 0.62 0.00 0.56 -0.04 -1.26 -4.54 135.00 128.11 1j3g n PRO 40 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1j3g n PRO 40 Cb 0.54 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1j3g n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3g n GLY 41 N 0.14 -1.31 3.48 0.55 0.00 -1.26 -4.61 105.19 102.18 1j3g n GLY 41 Ca 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 1j3g n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 42 N -2.77 0.51 -0.16 1.61 2.02 -1.26 -5.18 118.70 113.46 1j3g s GLU 42 Ca 0.00 1.19 -0.30 0.00 0.02 0.00 0.00 54.97 55.88 1j3g s GLU 42 Cb 0.00 0.43 0.13 0.00 0.10 0.00 0.00 34.13 34.79 1j3g s GLU 42 CO 0.00 -0.20 1.01 -0.06 0.02 0.00 0.00 175.26 176.04 1j3g s PHE 43 N 2.33 -0.35 -1.63 1.61 0.08 -1.26 -5.04 117.98 113.72 1j3g s PHE 43 Ca -0.06 0.57 0.21 0.00 0.12 0.00 0.00 56.93 57.77 1j3g s PHE 43 Cb -0.10 0.46 -0.08 0.00 -0.57 0.00 0.00 43.02 42.73 1j3g s PHE 43 CO -0.17 -0.33 0.99 0.41 -0.10 0.00 0.00 175.22 176.02 1j3g n GLY 44 N 0.65 -0.29 3.60 4.36 0.00 -1.26 -4.89 105.19 107.37 1j3g n GLY 44 Ca -0.09 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -2.57 1.84 0.00 -0.02 0.00 -1.26 -5.00 107.32 100.31 1j3g s GLY 45 Ca 0.14 -0.75 0.08 0.00 0.00 0.00 0.00 44.72 44.20 1j3g s GLY 45 CO 0.65 1.21 1.04 -1.55 0.00 0.00 0.00 173.10 174.44 1j3g n PRO 46 N 5.57 0.18 -0.15 2.90 -0.04 -1.26 -3.79 135.00 138.41 1j3g n PRO 46 Ca -0.05 0.11 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1j3g n PRO 46 Cb 0.50 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 1j3g n PRO 46 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1j3g h TRP 47 N 0.00 0.28 -0.27 0.54 4.06 -1.99 -0.82 115.95 117.75 1j3g h TRP 47 Ca 0.00 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 1j3g h TRP 47 Cb 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 1j3g h TRP 47 CO 0.00 0.09 0.15 0.82 -3.56 0.00 0.00 178.44 175.95 1j3g h ILE 48 N 0.33 1.12 -0.45 1.49 1.08 -1.88 -2.26 117.51 116.94 1j3g h ILE 48 Ca 0.22 -0.30 0.08 0.00 -0.39 0.00 0.00 64.86 64.47 1j3g h ILE 48 Cb 0.22 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 34.72 1j3g h ILE 48 CO -0.23 0.11 0.01 -0.78 -0.69 0.00 0.00 178.15 176.58 1j3g h ASP 49 N 0.33 -0.16 -0.91 1.72 1.82 -1.77 -2.37 116.42 115.08 1j3g h ASP 49 Ca 0.10 0.10 0.05 0.00 -0.39 0.00 0.00 57.03 56.89 1j3g h ASP 49 Cb 0.05 0.18 -0.05 0.00 0.68 0.00 0.00 39.33 40.18 1j3g h ASP 49 CO -0.02 -0.05 0.59 0.00 -1.61 0.00 0.00 179.24 178.16 1j3g h ALA 50 N 1.39 1.46 0.08 -0.78 0.00 -0.60 0.18 119.26 120.99 1j3g h ALA 50 Ca 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1j3g h ALA 50 Cb 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1j3g h ALA 50 CO -0.36 0.44 -0.04 1.25 0.00 0.00 0.00 179.25 180.54 1j3g h LEU 51 N 1.10 -0.09 -0.32 0.00 6.46 -0.91 0.34 115.31 121.88 1j3g h LEU 51 Ca 0.37 -0.25 -0.18 0.00 -0.12 0.00 0.00 57.88 57.70 1j3g h LEU 51 Cb 0.09 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1j3g h LEU 51 CO -0.12 0.20 -0.55 -0.26 -0.62 0.00 0.00 178.44 177.09 1j3g h PHE 52 N -0.40 1.06 0.18 1.25 -1.00 -1.11 -3.29 116.94 113.63 1j3g h PHE 52 Ca -0.01 -0.38 -0.01 0.00 2.81 0.00 0.00 57.97 60.38 1j3g h PHE 52 Cb 0.34 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1j3g h PHE 52 CO 0.02 1.20 -0.09 0.00 -1.61 0.00 0.00 178.31 177.84 1j3g h THR 53 N 0.65 0.93 0.00 -1.55 1.03 -0.73 -3.49 112.91 109.75 1j3g h THR 53 Ca 0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 1j3g h THR 53 Cb 1.15 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 1j3g h THR 53 CO 0.12 0.15 0.00 0.61 -0.01 0.00 0.00 175.52 176.39 1j3g n GLY 54 N -0.29 0.13 0.81 2.99 0.00 -0.56 -5.06 105.19 103.21 1j3g n GLY 54 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1j3g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3g n THR 55 N 0.00 0.91 -1.72 2.61 -2.24 0.00 -5.01 114.28 108.83 1j3g n THR 55 Ca 0.00 -0.95 -0.43 0.00 -2.27 0.00 0.00 64.05 60.40 1j3g n THR 55 Cb 0.00 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1j3g n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3g n ILE 56 N 0.83 0.88 -5.20 2.28 3.06 -0.73 -4.93 119.36 115.55 1j3g n ILE 56 Ca 0.15 -0.22 -0.30 0.00 -2.50 0.00 0.00 62.75 59.87 1j3g n ILE 56 Cb 0.47 -1.82 -0.16 0.00 0.54 0.00 0.00 39.64 38.67 1j3g n ILE 56 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1j3g s ASP 57 N 0.51 2.89 -1.01 9.51 2.15 -1.26 -4.97 116.67 124.49 1j3g s ASP 57 Ca 0.67 -0.47 -0.23 0.00 0.43 0.00 0.00 52.55 52.95 1j3g s ASP 57 Cb -0.54 -0.67 -0.12 0.00 -0.30 0.00 0.00 42.92 41.28 1j3g s ASP 57 CO 0.47 0.25 1.92 -0.81 -0.17 0.00 0.00 175.17 176.83 1j3g n PRO 58 N 2.86 1.52 -0.04 4.34 -0.04 -1.26 -4.57 135.00 137.80 1j3g n PRO 58 Ca -0.17 -2.22 -0.04 0.00 -0.04 0.00 0.00 63.50 61.03 1j3g n PRO 58 Cb 0.52 -3.42 -0.01 0.00 -0.04 0.00 0.00 33.50 30.54 1j3g n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1j3g n ASN 59 N 11.93 1.05 -0.22 3.54 2.85 -1.26 -4.62 115.26 128.53 1j3g n ASN 59 Ca 0.47 0.17 -0.01 0.00 -0.11 0.00 0.00 54.58 55.10 1j3g n ASN 59 Cb 0.44 -0.56 0.10 0.00 1.24 0.00 0.00 39.78 41.00 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3g h ALA 60 N -1.16 0.84 -2.39 5.20 0.00 -2.05 -3.46 119.26 116.23 1j3g h ALA 60 Ca 0.00 0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.15 1j3g h ALA 60 Cb 0.48 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1j3g h ALA 60 CO 0.00 -0.03 0.65 -3.38 0.00 0.00 0.00 179.25 176.49 1j3g s HIS 61 N -6.10 0.04 0.01 0.00 -3.43 -1.26 -5.09 115.29 99.47 1j3g s HIS 61 Ca -0.13 -0.37 -0.19 0.00 -0.80 0.00 0.00 55.06 53.57 1j3g s HIS 61 Cb 0.16 0.66 -0.24 0.00 -1.43 0.00 0.00 32.58 31.74 1j3g s HIS 61 CO 0.75 -0.77 1.10 -1.00 -2.00 0.00 0.00 174.74 172.83 1j3g h PRO 62 N 2.00 0.44 -0.82 -0.38 0.13 -1.90 -3.36 132.00 128.11 1j3g h PRO 62 Ca -0.26 -0.48 0.20 0.00 -0.87 0.00 0.00 66.00 64.58 1j3g h PRO 62 Cb 1.21 0.14 -0.14 0.00 0.13 0.00 0.00 31.00 32.35 1j3g h PRO 62 CO 0.34 1.14 0.14 -0.92 -0.23 0.00 0.00 178.00 178.47 1j3g h TYR 63 N -0.05 0.19 0.13 1.56 5.03 -1.98 0.67 116.97 122.52 1j3g h TYR 63 Ca -0.09 0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.29 1j3g h TYR 63 Cb 1.38 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.68 1j3g h TYR 63 CO 0.14 -0.21 -0.23 0.35 -1.32 0.00 0.00 178.16 176.89 1j3g h PHE 64 N 0.18 -0.61 -0.38 -3.82 3.04 -1.96 0.21 116.94 113.59 1j3g h PHE 64 Ca 0.49 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.38 1j3g h PHE 64 Cb 0.93 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 1j3g h PHE 64 CO -0.33 -0.33 -0.02 0.00 -2.02 0.00 0.00 178.31 175.61 1j3g h ALA 65 N 0.33 0.52 -0.39 2.41 0.00 -1.66 -3.11 119.26 117.36 1j3g h ALA 65 Ca 0.02 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 54.75 1j3g h ALA 65 Cb 0.45 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1j3g h ALA 65 CO -0.12 0.31 -0.30 0.78 0.00 0.00 0.00 179.25 179.92 1j3g h GLY 66 N 0.51 -0.18 1.00 0.00 0.00 -0.30 -1.98 103.07 102.12 1j3g h GLY 66 Ca 0.11 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1j3g h GLY 66 CO 0.02 -0.21 0.37 0.16 0.00 0.00 0.00 176.54 176.88 1j3g h ILE 67 N -0.23 1.19 -0.99 2.60 3.07 -1.04 -3.25 117.51 118.84 1j3g h ILE 67 Ca 0.18 -0.42 0.34 0.00 1.55 0.00 0.00 64.86 66.51 1j3g h ILE 67 Cb 0.52 0.35 -0.18 0.00 -0.27 0.00 0.00 36.82 37.24 1j3g h ILE 67 CO -0.52 0.19 0.30 0.00 -1.05 0.00 0.00 178.15 177.07 1j3g h ALA 68 N 1.18 1.69 -0.42 0.16 0.00 -1.28 1.00 119.26 121.59 1j3g h ALA 68 Ca 0.22 0.30 0.07 0.00 0.00 0.00 0.00 54.91 55.50 1j3g h ALA 68 Cb -0.01 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1j3g h ALA 68 CO -0.04 -0.75 -0.42 0.45 0.00 0.00 0.00 179.25 178.48 1j3g h HIS 69 N 0.03 -1.23 -3.60 0.00 3.86 -1.59 -3.40 115.15 109.21 1j3g h HIS 69 Ca 0.72 0.07 -0.52 0.00 -1.16 0.00 0.00 60.37 59.48 1j3g h HIS 69 Cb 1.73 0.60 0.04 0.00 1.06 0.00 0.00 27.41 30.85 1j3g h HIS 69 CO -0.24 -0.44 0.64 -0.51 0.86 0.00 0.00 177.93 178.25 1j3g s LEU 70 N -10.51 4.43 0.79 2.43 1.02 0.34 -5.01 118.68 112.17 1j3g s LEU 70 Ca -0.15 2.51 -0.14 0.00 0.02 0.00 0.00 54.13 56.38 1j3g s LEU 70 Cb 0.12 -3.63 0.07 0.00 0.02 0.00 0.00 46.19 42.77 1j3g s LEU 70 CO 0.66 -0.51 1.19 -2.11 0.02 0.00 0.00 176.35 175.60 1j3g n ARG 71 N 1.82 0.30 -4.38 1.70 0.00 -1.26 -4.94 116.66 109.90 1j3g n ARG 71 Ca 0.03 0.18 -0.24 0.00 -0.00 0.00 0.00 57.85 57.81 1j3g n ARG 71 Cb 0.42 -2.43 -0.09 0.00 -0.00 0.00 0.00 32.46 30.36 1j3g n ARG 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1j3g s VAL 72 N -2.03 2.89 -0.29 8.89 -7.23 -1.26 -4.95 120.40 116.42 1j3g s VAL 72 Ca 0.74 -2.08 -0.18 0.00 -1.81 0.00 0.00 61.98 58.66 1j3g s VAL 72 Cb -0.30 -2.50 0.17 0.00 0.56 0.00 0.00 36.38 34.31 1j3g s VAL 72 CO 0.50 -0.31 1.13 -0.44 -0.31 0.00 0.00 175.10 175.67 1j3g s SER 73 N -3.35 -0.29 0.50 4.85 0.01 -1.24 -4.79 113.70 109.38 1j3g s SER 73 Ca 0.28 0.48 0.04 0.00 1.31 0.00 0.00 55.95 58.06 1j3g s SER 73 Cb -0.06 1.01 0.08 0.00 0.21 0.00 0.00 66.02 67.26 1j3g s SER 73 CO 0.16 -0.08 0.61 0.00 0.41 0.00 0.00 173.24 174.35 1j3g n ALA 74 N 3.15 0.52 -0.63 1.44 0.00 -1.26 -1.57 120.51 122.16 1j3g n ALA 74 Ca -0.17 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1j3g n ALA 74 Cb 0.57 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N -2.11 0.00 -4.04 0.00 8.25 -1.25 -4.31 115.22 111.76 1j3g n HIS 75 Ca 0.11 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.24 1j3g n HIS 75 Cb 0.41 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.37 1j3g n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3g s LEU 77 N 1.32 2.60 -0.31 0.00 0.20 -0.05 -1.32 118.68 121.12 1j3g s LEU 77 Ca 0.03 -1.00 -0.17 0.00 0.69 0.00 0.00 54.13 53.68 1j3g s LEU 77 Cb -0.14 -1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 44.23 1j3g s LEU 77 CO -0.09 -0.13 0.46 -0.63 -0.29 0.00 0.00 176.35 175.67 1j3g s ILE 78 N 1.29 5.09 0.45 6.68 1.01 -0.71 -0.88 121.20 134.13 1j3g s ILE 78 Ca -0.02 0.46 -0.21 0.00 0.00 0.00 0.00 60.65 60.88 1j3g s ILE 78 Cb -0.17 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 1j3g s ILE 78 CO -0.08 -0.05 1.00 -0.60 0.00 0.00 0.00 174.94 175.21 1j3g s ARG 79 N 2.25 4.02 0.62 2.79 3.52 -0.35 -0.65 118.95 131.14 1j3g s ARG 79 Ca 0.17 1.27 0.27 0.00 -0.13 0.00 0.00 55.73 57.31 1j3g s ARG 79 Cb -0.16 -2.17 1.38 0.00 -1.56 0.00 0.00 34.95 32.45 1j3g s ARG 79 CO 0.11 -0.23 1.79 0.07 -0.81 0.00 0.00 175.30 176.24 1j3g h ARG 80 N 1.79 0.00 -1.20 5.12 0.11 -1.54 -2.27 114.38 116.38 1j3g h ARG 80 Ca -0.49 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.23 1j3g h ARG 80 Cb 1.20 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.10 1j3g h ARG 80 CO 0.60 0.00 0.46 -3.47 0.10 0.00 0.00 179.97 177.66 1j3g n ASP 81 N -3.35 5.11 -3.40 0.08 2.03 -1.26 -3.67 116.55 112.09 1j3g n ASP 81 Ca 0.06 -3.10 -0.22 0.00 0.52 0.00 0.00 54.79 52.05 1j3g n ASP 81 Cb 0.68 -0.87 0.08 0.00 -0.72 0.00 0.00 41.12 40.29 1j3g n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j3g n GLY 82 N -0.22 -0.44 3.71 0.27 0.00 -0.86 -5.03 105.19 102.61 1j3g n GLY 82 Ca 0.37 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 1j3g n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 83 N -6.16 2.60 -0.25 1.61 0.41 -1.17 -4.91 118.70 110.83 1j3g s GLU 83 Ca 0.51 -0.88 -0.01 0.00 -0.41 0.00 0.00 54.97 54.18 1j3g s GLU 83 Cb -0.22 -2.54 0.03 0.00 -1.78 0.00 0.00 34.13 29.62 1j3g s GLU 83 CO 0.68 0.52 -0.07 0.42 -0.49 0.00 0.00 175.26 176.32 1j3g s ILE 84 N -1.47 2.73 0.02 -1.63 -1.09 -1.26 -1.21 121.20 117.29 1j3g s ILE 84 Ca 0.27 -1.16 0.04 0.00 -2.23 0.00 0.00 60.65 57.57 1j3g s ILE 84 Cb -0.11 -2.43 -0.03 0.00 -1.58 0.00 0.00 42.46 38.30 1j3g s ILE 84 CO 0.19 0.14 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.29 1j3g s VAL 85 N 1.28 3.62 -0.14 2.92 1.01 -0.06 -1.27 120.40 127.75 1j3g s VAL 85 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1j3g s VAL 85 Cb -0.17 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1j3g s VAL 85 CO -0.05 0.33 -0.12 -1.58 0.00 0.00 0.00 175.10 173.69 1j3g s GLN 86 N -1.59 2.03 -0.01 2.72 -0.44 -0.21 -0.88 119.66 121.28 1j3g s GLN 86 Ca 0.18 -0.50 0.08 0.00 -2.50 0.00 0.00 55.36 52.63 1j3g s GLN 86 Cb -0.11 -1.99 -0.02 0.00 -1.64 0.00 0.00 33.01 29.25 1j3g s GLN 86 CO 0.09 -0.27 -0.26 0.71 0.50 0.00 0.00 175.29 176.06 1j3g s TYR 87 N 1.55 2.31 -0.21 1.67 1.51 -0.30 -0.57 117.35 123.31 1j3g s TYR 87 Ca 0.04 -0.43 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1j3g s TYR 87 Cb -0.13 -1.46 0.01 0.00 -0.11 0.00 0.00 41.96 40.26 1j3g s TYR 87 CO -0.10 -0.00 0.04 0.28 -1.11 0.00 0.00 175.55 174.66 1j3g n VAL 88 N 2.29 -9.69 -0.55 0.71 0.31 -1.26 -3.93 118.33 106.22 1j3g n VAL 88 Ca -0.16 1.53 -0.30 0.00 -0.01 0.00 0.00 64.34 65.40 1j3g n VAL 88 Cb 0.51 -6.10 0.23 0.00 -0.91 0.00 0.00 33.84 27.57 1j3g n VAL 88 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1j3g n PRO 89 N 0.68 -2.22 0.00 5.55 -0.04 -1.26 -4.82 135.00 132.89 1j3g n PRO 89 Ca -0.07 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1j3g n PRO 89 Cb 0.10 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1j3g n PRO 89 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j3g n PHE 90 N -4.80 0.00 -3.78 0.54 3.72 -1.26 -4.49 117.46 107.39 1j3g n PHE 90 Ca 0.02 -0.20 -0.25 0.00 -0.05 0.00 0.00 57.45 56.96 1j3g n PHE 90 Cb 0.57 -0.15 -0.17 0.00 -0.94 0.00 0.00 39.48 38.79 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1j3g s ASP 91 N 0.75 2.05 0.00 4.37 2.15 -1.26 -4.93 116.67 119.81 1j3g s ASP 91 Ca 0.00 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 52.65 1j3g s ASP 91 Cb 0.00 -0.53 0.00 0.00 -0.30 0.00 0.00 42.92 42.09 1j3g s ASP 91 CO 0.00 -0.22 0.00 1.17 -0.17 0.00 0.00 175.17 175.95 1j3g n LYS 92 N 5.09 0.00 -0.96 4.34 3.00 -1.26 -5.05 118.16 123.33 1j3g n LYS 92 Ca -0.08 0.33 -0.30 0.00 -0.00 0.00 0.00 58.31 58.26 1j3g n LYS 92 Cb 0.49 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.59 1j3g n LYS 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1j3g n ARG 93 N -0.27 0.00 -3.40 1.64 0.63 -1.26 -4.51 116.66 109.49 1j3g n ARG 93 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 1j3g n ARG 93 Cb 0.00 -0.75 0.03 0.00 0.45 0.00 0.00 32.46 32.19 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j3g s ALA 94 N -1.39 4.59 -0.17 5.13 0.00 -1.26 -2.42 121.76 126.25 1j3g s ALA 94 Ca 0.44 -1.76 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 1j3g s ALA 94 Cb -0.42 -1.14 0.08 0.00 0.00 0.00 0.00 23.12 21.63 1j3g s ALA 94 CO 0.48 -0.68 0.34 -0.46 0.00 0.00 0.00 175.76 175.44 1j3g s TRP 95 N -2.71 -0.61 -0.46 0.00 -0.00 -0.61 -4.63 118.94 109.92 1j3g s TRP 95 Ca 0.50 1.19 0.07 0.00 -0.00 0.00 0.00 56.10 57.85 1j3g s TRP 95 Cb -0.04 0.11 0.30 0.00 -0.00 0.00 0.00 33.47 33.84 1j3g s TRP 95 CO 0.31 -0.44 1.01 -2.39 -0.00 0.00 0.00 176.95 175.44 1j3g n HIS 96 N 5.37 -2.67 0.13 5.86 1.44 -1.26 -3.73 115.22 120.36 1j3g n HIS 96 Ca -0.07 -2.22 0.00 0.00 -2.01 0.00 0.00 57.72 53.42 1j3g n HIS 96 Cb 0.50 1.39 0.00 0.00 0.12 0.00 0.00 29.99 31.99 1j3g n HIS 96 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j3g n ALA 97 N 0.72 0.00 0.00 1.59 0.00 -1.26 -4.93 120.51 116.63 1j3g n ALA 97 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1j3g n ALA 97 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1j3g n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3g n GLY 98 N -1.45 2.10 3.11 0.00 0.00 -1.26 -4.96 105.19 102.72 1j3g n GLY 98 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1j3g n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3g s VAL 99 N 0.00 0.05 0.23 1.61 1.01 -1.26 -4.02 120.40 118.02 1j3g s VAL 99 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 1j3g s VAL 99 Cb 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 36.02 1j3g s VAL 99 CO 0.00 -0.23 0.69 -0.94 0.00 0.00 0.00 175.10 174.62 1j3g s SER 100 N -0.86 -0.37 -0.14 3.32 1.04 -1.13 -4.88 113.70 110.68 1j3g s SER 100 Ca -0.09 -0.38 -0.27 0.00 0.48 0.00 0.00 55.95 55.68 1j3g s SER 100 Cb -0.05 0.67 0.07 0.00 0.10 0.00 0.00 66.02 66.80 1j3g s SER 100 CO 0.01 -1.19 0.67 -0.94 0.98 0.00 0.00 173.24 172.78 1j3g s SER 101 N -2.85 -0.67 0.03 7.02 1.04 -1.26 -0.49 113.70 116.52 1j3g s SER 101 Ca 0.07 0.98 -0.27 0.00 0.48 0.00 0.00 55.95 57.21 1j3g s SER 101 Cb -0.04 0.90 0.07 0.00 0.10 0.00 0.00 66.02 67.05 1j3g s SER 101 CO -0.00 -0.45 0.64 -0.47 0.98 0.00 0.00 173.24 173.94 1j3g s TYR 102 N -0.55 -0.60 -1.35 5.02 5.04 -0.30 -4.31 117.35 120.31 1j3g s TYR 102 Ca -0.07 0.79 -0.17 0.00 -2.44 0.00 0.00 57.07 55.18 1j3g s TYR 102 Cb -0.02 0.46 0.02 0.00 0.35 0.00 0.00 41.96 42.77 1j3g s TYR 102 CO 0.06 -0.70 0.33 1.04 -1.34 0.00 0.00 175.55 174.94 1j3g n GLN 103 N 0.40 -0.57 -3.77 4.97 6.02 -1.26 -1.52 117.38 121.65 1j3g n GLN 103 Ca -0.18 0.06 -0.27 0.00 -0.01 0.00 0.00 57.00 56.60 1j3g n GLN 103 Cb 0.60 -2.91 0.05 0.00 1.02 0.00 0.00 30.24 29.00 1j3g n GLN 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j3g n GLY 104 N -2.32 -0.51 2.89 1.08 0.00 -1.26 -4.99 105.19 100.09 1j3g n GLY 104 Ca -0.21 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1j3g n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3g s ARG 105 N -6.45 0.08 0.38 1.61 3.52 -0.57 -5.16 118.95 112.37 1j3g s ARG 105 Ca 0.60 0.60 -0.24 0.00 -0.13 0.00 0.00 55.73 56.56 1j3g s ARG 105 Cb -0.28 -0.26 -0.10 0.00 -1.56 0.00 0.00 34.95 32.74 1j3g s ARG 105 CO 0.79 -0.33 0.97 -2.00 -0.81 0.00 0.00 175.30 173.92 1j3g s GLU 106 N 2.34 4.36 -0.17 5.12 2.12 -1.26 -1.15 118.70 130.06 1j3g s GLU 106 Ca 0.03 1.30 0.00 0.00 0.36 0.00 0.00 54.97 56.66 1j3g s GLU 106 Cb -0.12 -2.52 0.03 0.00 0.26 0.00 0.00 34.13 31.78 1j3g s GLU 106 CO -0.07 0.07 -0.13 1.03 -0.54 0.00 0.00 175.26 175.62 1j3g s ARG 107 N -2.55 2.21 0.26 4.30 0.52 0.36 -4.93 118.95 119.12 1j3g s ARG 107 Ca 0.56 -0.65 0.08 0.00 -0.52 0.00 0.00 55.73 55.20 1j3g s ARG 107 Cb -0.16 -2.21 0.33 0.00 0.52 0.00 0.00 34.95 33.43 1j3g s ARG 107 CO 0.21 -0.30 1.60 0.00 0.02 0.00 0.00 175.30 176.83 1j3g s ASN 109 N -6.87 0.48 -1.26 0.00 0.01 -1.26 -4.53 114.94 101.51 1j3g s ASN 109 Ca -0.02 -1.28 -0.13 0.00 -0.71 0.00 0.00 52.86 50.72 1j3g s ASN 109 Cb 0.12 0.68 0.14 0.00 0.41 0.00 0.00 41.25 42.61 1j3g s ASN 109 CO 0.77 -1.33 1.65 -0.67 -1.51 0.00 0.00 177.10 176.01 1j3g n ASP 110 N -1.13 5.05 -2.18 -1.22 2.03 -1.26 -4.79 116.55 113.04 1j3g n ASP 110 Ca -0.01 -2.99 -0.22 0.00 0.52 0.00 0.00 54.79 52.09 1j3g n ASP 110 Cb 0.61 -1.59 -0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1j3g n ASP 110 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1j3g n PHE 111 N 5.76 1.64 -5.02 -0.67 1.16 -1.26 -4.33 117.46 114.74 1j3g n PHE 111 Ca 0.41 -2.01 -0.29 0.00 -1.87 0.00 0.00 57.45 53.69 1j3g n PHE 111 Cb 0.42 -1.18 -0.16 0.00 -1.61 0.00 0.00 39.48 36.94 1j3g n PHE 111 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1j3g s SER 112 N 0.17 2.58 -1.04 5.98 0.01 -1.26 -4.46 113.70 115.67 1j3g s SER 112 Ca 0.45 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 57.23 1j3g s SER 112 Cb 0.32 -0.88 0.12 0.00 0.21 0.00 0.00 66.02 65.79 1j3g s SER 112 CO -0.10 0.17 2.45 0.00 0.41 0.00 0.00 173.24 176.17 1j3g n ILE 113 N 3.25 4.72 0.00 1.44 0.00 -1.26 -4.89 119.36 122.63 1j3g n ILE 113 Ca -0.19 -4.05 0.00 0.00 0.00 0.00 0.00 62.75 58.51 1j3g n ILE 113 Cb 0.52 -1.88 0.00 0.00 0.00 0.00 0.00 39.64 38.28 1j3g n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1j3g n GLY 114 N 1.31 1.02 3.15 4.50 0.00 -1.20 -4.77 105.19 109.21 1j3g n GLY 114 Ca 0.57 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 1j3g n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3g s ILE 115 N 1.25 0.14 -0.10 -0.61 -1.09 -1.26 -4.27 121.20 115.27 1j3g s ILE 115 Ca 0.00 -1.91 -0.05 0.00 -2.23 0.00 0.00 60.65 56.45 1j3g s ILE 115 Cb 0.00 -2.03 0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1j3g s ILE 115 CO 0.00 -0.48 0.23 -0.70 -1.23 0.00 0.00 174.94 172.76 1j3g s GLU 116 N -4.04 0.20 -0.21 2.79 2.12 -0.43 -3.25 118.70 115.88 1j3g s GLU 116 Ca 0.24 0.48 -0.09 0.00 0.36 0.00 0.00 54.97 55.96 1j3g s GLU 116 Cb 0.07 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.32 1j3g s GLU 116 CO 0.02 -0.15 0.11 -0.51 -0.54 0.00 0.00 175.26 174.19 1j3g s LEU 117 N 1.10 3.99 -0.12 2.70 1.02 -1.24 -1.74 118.68 124.40 1j3g s LEU 117 Ca -0.08 0.12 -0.05 0.00 0.02 0.00 0.00 54.13 54.14 1j3g s LEU 117 Cb -0.09 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 1j3g s LEU 117 CO -0.07 0.13 0.07 -0.70 0.02 0.00 0.00 176.35 175.80 1j3g s GLU 118 N 0.63 3.34 0.24 1.70 2.12 0.17 -3.34 118.70 123.58 1j3g s GLU 118 Ca 0.06 -0.28 -0.21 0.00 0.36 0.00 0.00 54.97 54.90 1j3g s GLU 118 Cb -0.12 -3.04 0.06 0.00 0.26 0.00 0.00 34.13 31.29 1j3g s GLU 118 CO 0.01 0.67 0.90 0.20 -0.54 0.00 0.00 175.26 176.50 1j3g s GLY 119 N -0.75 0.05 -0.20 -1.50 0.00 -0.66 -1.46 107.32 102.81 1j3g s GLY 119 Ca 0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 1j3g s GLY 119 CO 0.03 0.64 0.15 -0.51 0.00 0.00 0.00 173.10 173.41 1j3g s THR 120 N -2.78 -0.19 -1.24 0.90 -4.23 -1.26 -4.30 115.64 102.53 1j3g s THR 120 Ca 0.16 -0.23 -0.12 0.00 -1.18 0.00 0.00 61.69 60.32 1j3g s THR 120 Cb -0.03 -0.68 -0.00 0.00 1.34 0.00 0.00 72.50 73.12 1j3g s THR 120 CO 0.06 -0.32 0.66 -0.67 -0.54 0.00 0.00 174.62 173.82 1j3g n ASP 121 N 5.29 -3.25 -3.85 3.99 2.03 -1.26 -2.23 116.55 117.27 1j3g n ASP 121 Ca -0.06 -0.99 -0.30 0.00 0.52 0.00 0.00 54.79 53.95 1j3g n ASP 121 Cb 0.48 -3.34 -0.01 0.00 -0.72 0.00 0.00 41.12 37.54 1j3g n ASP 121 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1j3g n THR 122 N -4.27 -1.20 -1.93 5.18 -2.24 -1.26 -4.94 114.28 103.62 1j3g n THR 122 Ca -0.19 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 1j3g n THR 122 Cb 0.63 -1.95 0.01 0.00 -2.10 0.00 0.00 70.33 66.92 1j3g n THR 122 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1j3g s LEU 123 N -6.99 4.16 -0.44 3.22 0.20 -0.95 -4.79 118.68 113.09 1j3g s LEU 123 Ca 0.61 2.78 -0.43 0.00 0.69 0.00 0.00 54.13 57.79 1j3g s LEU 123 Cb -0.32 -3.93 -0.18 0.00 -0.43 0.00 0.00 46.19 41.33 1j3g s LEU 123 CO 0.75 -1.02 1.92 0.00 -0.29 0.00 0.00 176.35 177.71 1j3g n ALA 124 N -0.05 -0.20 1.66 5.97 0.00 -1.26 -4.82 120.51 121.81 1j3g n ALA 124 Ca 0.04 0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.91 1j3g n ALA 124 Cb 0.43 -2.13 0.81 0.00 0.00 0.00 0.00 19.45 18.57 1j3g n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j3g n TYR 125 N 6.42 0.00 -2.64 0.00 4.01 -1.26 -4.78 117.16 118.92 1j3g n TYR 125 Ca 0.41 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 58.11 1j3g n TYR 125 Cb 0.02 -0.11 0.01 0.00 -0.31 0.00 0.00 39.34 38.95 1j3g n TYR 125 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1j3g n THR 126 N -1.11 -8.97 -0.13 -0.72 -2.24 -1.24 -4.46 114.28 95.41 1j3g n THR 126 Ca 0.19 0.40 0.11 0.00 -2.27 0.00 0.00 64.05 62.47 1j3g n THR 126 Cb 0.15 -6.51 0.17 0.00 -2.10 0.00 0.00 70.33 62.03 1j3g n THR 126 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1j3g n ASP 127 N -0.79 0.02 -0.36 3.42 9.92 -1.26 -0.28 116.55 127.23 1j3g n ASP 127 Ca 0.06 0.25 0.27 0.00 -0.53 0.00 0.00 54.79 54.84 1j3g n ASP 127 Cb 0.41 -0.13 0.52 0.00 -0.64 0.00 0.00 41.12 41.29 1j3g n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j3g h ALA 128 N 0.27 2.19 -0.85 2.24 0.00 -1.98 -0.39 119.26 120.73 1j3g h ALA 128 Ca 0.20 0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.47 1j3g h ALA 128 Cb 0.74 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 1j3g h ALA 128 CO -0.05 -0.77 0.30 1.96 0.00 0.00 0.00 179.25 180.70 1j3g h GLN 129 N 0.29 0.31 -0.93 0.00 4.20 -0.87 -1.45 115.11 116.66 1j3g h GLN 129 Ca 0.73 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.42 1j3g h GLN 129 Cb 1.85 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 29.51 1j3g h GLN 129 CO -0.50 0.20 0.58 1.88 -0.67 0.00 0.00 178.83 180.32 1j3g h TYR 130 N 0.32 1.21 0.11 2.96 -1.99 -1.29 0.29 116.97 118.58 1j3g h TYR 130 Ca 0.52 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.25 1j3g h TYR 130 Cb 0.99 -0.40 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1j3g h TYR 130 CO -0.20 0.79 -0.06 1.96 -0.00 0.00 0.00 178.16 180.66 1j3g h GLN 131 N 1.28 -0.15 -0.65 4.88 4.20 -1.39 -1.20 115.11 122.07 1j3g h GLN 131 Ca 0.34 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.97 1j3g h GLN 131 Cb -0.08 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1j3g h GLN 131 CO -0.07 0.14 0.09 1.96 -0.67 0.00 0.00 178.83 180.28 1j3g h GLN 132 N -0.43 1.10 0.14 1.46 4.20 -1.22 -1.59 115.11 118.77 1j3g h GLN 132 Ca -0.02 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 1j3g h GLN 132 Cb 0.35 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1j3g h GLN 132 CO 0.03 1.02 -0.10 1.25 -0.67 0.00 0.00 178.83 180.35 1j3g h LEU 133 N 1.02 -0.27 -1.01 1.46 5.85 -0.48 -1.80 115.31 120.09 1j3g h LEU 133 Ca 0.20 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1j3g h LEU 133 Cb 0.47 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1j3g h LEU 133 CO 0.02 -0.17 0.65 0.00 -0.34 0.00 0.00 178.44 178.60 1j3g h ALA 134 N 0.59 1.38 0.38 1.25 0.00 -0.93 0.12 119.26 122.05 1j3g h ALA 134 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j3g h ALA 134 Cb 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1j3g h ALA 134 CO -0.00 0.47 -0.20 0.00 0.00 0.00 0.00 179.25 179.52 1j3g h ALA 135 N 1.45 -0.53 -0.29 0.00 0.00 -0.93 0.14 119.26 119.10 1j3g h ALA 135 Ca 0.43 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1j3g h ALA 135 Cb 0.13 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1j3g h ALA 135 CO -0.16 -0.80 0.13 0.28 0.00 0.00 0.00 179.25 178.69 1j3g h VAL 136 N -0.53 0.96 -0.37 0.00 2.07 -0.97 -2.53 116.25 114.88 1j3g h VAL 136 Ca -0.05 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1j3g h VAL 136 Cb 0.42 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1j3g h VAL 136 CO 0.07 0.05 0.18 0.74 0.02 0.00 0.00 177.57 178.63 1j3g h THR 137 N 0.27 0.98 -0.81 2.57 2.02 -0.57 -0.95 112.91 116.42 1j3g h THR 137 Ca 0.12 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1j3g h THR 137 Cb 0.06 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1j3g h THR 137 CO -0.10 0.07 0.53 0.78 0.37 0.00 0.00 175.52 177.16 1j3g h ASN 138 N 0.37 0.94 -0.40 4.18 2.35 -0.62 -1.30 115.58 121.10 1j3g h ASN 138 Ca 0.16 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1j3g h ASN 138 Cb 0.07 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1j3g h ASN 138 CO -0.11 0.69 0.00 0.00 -1.65 0.00 0.00 177.43 176.36 1j3g h ALA 139 N 1.48 0.54 -0.54 -0.83 0.00 -0.91 -1.52 119.26 117.47 1j3g h ALA 139 Ca 0.30 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1j3g h ALA 139 Cb -0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1j3g h ALA 139 CO -0.06 0.32 0.25 -0.07 0.00 0.00 0.00 179.25 179.69 1j3g h LEU 140 N 0.53 0.33 -0.86 0.00 -0.00 -0.41 -1.81 115.31 113.09 1j3g h LEU 140 Ca 0.11 0.04 0.03 0.00 -0.00 0.00 0.00 57.88 58.07 1j3g h LEU 140 Cb 0.47 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.07 1j3g h LEU 140 CO 0.02 0.22 0.55 0.40 -0.00 0.00 0.00 178.44 179.63 1j3g h ILE 141 N 0.48 1.15 0.00 1.22 2.04 -1.07 0.14 117.51 121.46 1j3g h ILE 141 Ca 0.25 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1j3g h ILE 141 Cb 0.21 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1j3g h ILE 141 CO -0.20 0.20 -0.07 0.74 0.00 0.00 0.00 178.15 178.81 1j3g h THR 142 N 1.08 0.78 0.00 -0.27 2.02 -0.47 -2.90 112.91 113.14 1j3g h THR 142 Ca 0.34 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1j3g h THR 142 Cb -0.01 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1j3g h THR 142 CO -0.11 0.07 -0.17 0.03 0.37 0.00 0.00 175.52 175.71 1j3g h ARG 143 N 0.00 0.00 -4.40 6.66 2.47 -0.58 -3.46 114.38 115.07 1j3g h ARG 143 Ca -0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 1j3g h ARG 143 Cb 0.16 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.10 1j3g h ARG 143 CO 0.01 0.00 -0.80 0.71 0.56 0.00 0.00 179.97 180.45 1j3g s TYR 144 N -1.72 2.27 -0.47 3.04 2.02 0.36 -5.10 117.35 117.76 1j3g s TYR 144 Ca -0.05 -1.56 -0.20 0.00 -0.37 0.00 0.00 57.07 54.89 1j3g s TYR 144 Cb 0.01 -1.55 0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1j3g s TYR 144 CO 0.07 -0.73 0.63 -1.25 -1.57 0.00 0.00 175.55 172.70 1j3g s PRO 145 N 1.44 3.19 0.00 -1.71 0.04 -1.10 -4.05 135.00 132.81 1j3g s PRO 145 Ca -0.03 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1j3g s PRO 145 Cb -0.17 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1j3g s PRO 145 CO -0.07 -1.11 0.00 0.00 0.04 0.00 0.00 177.00 175.86 1j3g n ALA 146 N 6.21 0.94 -0.29 8.56 0.00 -1.26 -4.95 120.51 129.72 1j3g n ALA 146 Ca -0.04 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.66 1j3g n ALA 146 Cb 0.47 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.53 1j3g n ALA 146 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j3g h ILE 147 N 0.00 0.51 -0.32 0.00 2.04 -1.77 -0.07 117.51 117.90 1j3g h ILE 147 Ca 0.00 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.88 1j3g h ILE 147 Cb 0.00 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1j3g h ILE 147 CO 0.00 0.04 0.32 0.00 0.00 0.00 0.00 178.15 178.51 1j3g h ALA 148 N 1.55 2.04 0.00 1.87 0.00 -1.92 -2.10 119.26 120.70 1j3g h ALA 148 Ca 0.55 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.38 1j3g h ALA 148 Cb 1.71 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 1j3g h ALA 148 CO -0.16 -0.49 -0.63 0.09 0.00 0.00 0.00 179.25 178.06 1j3g n ASN 149 N -3.87 1.03 -3.44 0.00 4.13 -0.12 -4.90 115.26 108.09 1j3g n ASN 149 Ca 0.05 -2.51 -0.28 0.00 1.68 0.00 0.00 54.58 53.52 1j3g n ASN 149 Cb 0.48 -0.33 -0.11 0.00 -1.54 0.00 0.00 39.78 38.28 1j3g n ASN 149 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1j3g s ASN 150 N -2.06 2.06 -0.15 6.41 -0.87 -0.72 -4.90 114.94 114.71 1j3g s ASN 150 Ca 0.25 -2.79 0.00 0.00 -1.57 0.00 0.00 52.86 48.74 1j3g s ASN 150 Cb 0.26 -0.47 0.03 0.00 -0.02 0.00 0.00 41.25 41.04 1j3g s ASN 150 CO -0.07 -0.22 -0.10 -0.04 -2.57 0.00 0.00 177.10 174.10 1j3g s MET 151 N 0.35 1.87 0.20 -0.60 -1.94 -1.26 -2.07 119.30 115.85 1j3g s MET 151 Ca 0.27 -0.49 -0.01 0.00 -1.71 0.00 0.00 55.69 53.76 1j3g s MET 151 Cb -0.06 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.83 1j3g s MET 151 CO -0.13 -0.30 0.27 -2.37 -0.01 0.00 0.00 175.02 172.48 1j3g n THR 152 N 4.84 0.00 0.00 2.05 5.66 -0.43 -5.00 114.28 121.39 1j3g n THR 152 Ca -0.14 -1.01 0.00 0.00 -3.05 0.00 0.00 64.05 59.84 1j3g n THR 152 Cb 0.49 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 69.89 1j3g n THR 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j3g n GLY 153 N -0.33 4.62 0.01 1.09 0.00 -1.25 -0.08 105.19 109.26 1j3g n GLY 153 Ca 0.01 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.48 1j3g n GLY 153 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j3g n HIS 154 N 0.00 0.00 0.10 1.61 -0.00 -0.56 -4.55 115.22 111.82 1j3g n HIS 154 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 1j3g n HIS 154 Cb 0.00 -0.18 -0.14 0.00 -0.00 0.00 0.00 29.99 29.68 1j3g n HIS 154 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j3g n ASN 156 N -2.04 5.36 0.20 0.00 5.15 -0.84 -4.21 115.26 118.87 1j3g n ASN 156 Ca -0.02 -2.61 0.14 0.00 -0.60 0.00 0.00 54.58 51.48 1j3g n ASN 156 Cb 0.45 -1.01 0.63 0.00 -0.53 0.00 0.00 39.78 39.32 1j3g n ASN 156 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1j3g h ILE 157 N 0.86 0.00 0.00 -1.44 -2.65 -1.76 -3.37 117.51 109.15 1j3g h ILE 157 Ca 0.12 -0.24 0.00 0.00 1.03 0.00 0.00 64.86 65.77 1j3g h ILE 157 Cb 1.03 1.02 0.00 0.00 -2.05 0.00 0.00 36.82 36.83 1j3g h ILE 157 CO 0.29 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.47 1j3g n ALA 158 N -1.89 0.68 -2.43 0.16 0.00 -1.26 -4.27 120.51 111.50 1j3g n ALA 158 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 1j3g n ALA 158 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 1j3g n ALA 158 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3g s PRO 159 N -2.00 3.59 0.15 0.00 0.04 -1.26 -4.87 135.00 130.64 1j3g s PRO 159 Ca 0.00 0.78 0.12 0.00 0.04 0.00 0.00 61.00 61.94 1j3g s PRO 159 Cb 0.00 -4.00 0.62 0.00 0.04 0.00 0.00 34.50 31.15 1j3g s PRO 159 CO 0.00 -1.56 1.38 -1.91 0.04 0.00 0.00 177.00 174.95 1j3g n GLU 160 N 8.08 0.07 0.21 4.56 2.13 -1.26 -1.97 120.64 132.47 1j3g n GLU 160 Ca 0.15 0.51 0.10 0.00 0.66 0.00 0.00 57.16 58.58 1j3g n GLU 160 Cb 0.48 -1.71 0.32 0.00 0.27 0.00 0.00 31.44 30.81 1j3g n GLU 160 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1j3g h ARG 161 N 0.00 0.00 -3.50 5.31 9.65 -1.96 -3.44 114.38 120.45 1j3g h ARG 161 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.54 1j3g h ARG 161 Cb 0.07 0.00 -0.36 0.00 -1.39 0.00 0.00 29.97 28.29 1j3g h ARG 161 CO 0.00 0.19 -0.74 0.15 2.80 0.00 0.00 179.97 182.37 1j3g s LYS 162 N -3.38 0.06 -0.01 0.20 3.01 -0.83 -4.96 119.74 113.83 1j3g s LYS 162 Ca 0.03 0.23 0.06 0.00 -1.01 0.00 0.00 55.97 55.28 1j3g s LYS 162 Cb 0.08 -0.44 -0.08 0.00 -1.01 0.00 0.00 37.83 36.39 1j3g s LYS 162 CO 0.65 -0.23 0.16 2.41 0.51 0.00 0.00 175.35 178.86 1j3g n THR 163 N 4.64 0.00 -4.00 2.17 -1.04 -1.26 -1.99 114.28 112.79 1j3g n THR 163 Ca -0.17 -0.21 0.03 0.00 -2.04 0.00 0.00 64.05 61.65 1j3g n THR 163 Cb 0.50 0.58 0.01 0.00 -1.82 0.00 0.00 70.33 69.60 1j3g n THR 163 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1j3g n ASP 164 N -1.51 -1.05 -4.58 8.00 2.03 -1.26 -1.14 116.55 117.05 1j3g n ASP 164 Ca -0.00 -1.20 -0.43 0.00 0.52 0.00 0.00 54.79 53.68 1j3g n ASP 164 Cb 0.13 1.62 -0.00 0.00 -0.72 0.00 0.00 41.12 42.15 1j3g n ASP 164 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1j3g s PRO 165 N -2.01 3.96 0.00 -0.67 0.04 -1.26 -3.70 135.00 131.37 1j3g s PRO 165 Ca 0.27 -1.95 0.00 0.00 0.04 0.00 0.00 61.00 59.36 1j3g s PRO 165 Cb -0.01 -5.52 0.00 0.00 0.04 0.00 0.00 34.50 29.02 1j3g s PRO 165 CO -0.01 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.20 1j3g n GLY 166 N 5.48 0.53 0.00 0.56 0.00 -1.26 -4.97 105.19 105.52 1j3g n GLY 166 Ca 0.48 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1j3g n GLY 166 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3g n PRO 167 N 0.00 0.00 -3.84 1.61 -0.04 -1.24 -4.38 135.00 127.11 1j3g n PRO 167 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1j3g n PRO 167 Cb 0.00 -0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 1j3g n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 168 N 0.00 -3.87 -1.57 3.54 2.88 -1.26 -4.91 113.62 108.43 1j3g n SER 168 Ca 0.00 -0.78 0.07 0.00 -1.33 0.00 0.00 58.87 56.83 1j3g n SER 168 Cb 0.00 -3.99 0.33 0.00 -0.75 0.00 0.00 64.21 59.80 1j3g n SER 168 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1j3g n PHE 169 N -4.59 1.58 -3.84 0.66 7.35 -1.26 -4.97 117.46 112.39 1j3g n PHE 169 Ca -0.06 -0.57 -0.34 0.00 -0.76 0.00 0.00 57.45 55.72 1j3g n PHE 169 Cb 0.57 -0.36 0.02 0.00 0.35 0.00 0.00 39.48 40.06 1j3g n PHE 169 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1j3g n ASP 170 N 0.70 -4.87 -0.20 -2.13 -0.08 -1.26 -4.62 116.55 104.09 1j3g n ASP 170 Ca 0.23 -1.06 0.15 0.00 -1.51 0.00 0.00 54.79 52.60 1j3g n ASP 170 Cb 0.94 -2.28 0.47 0.00 2.34 0.00 0.00 41.12 42.59 1j3g n ASP 170 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1j3g h TRP 171 N -1.56 0.59 0.38 -0.67 4.06 -1.96 -0.56 115.95 116.23 1j3g h TRP 171 Ca -0.63 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.32 1j3g h TRP 171 Cb 1.37 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 29.34 1j3g h TRP 171 CO 0.31 0.22 -0.22 0.00 -3.56 0.00 0.00 178.44 175.18 1j3g h ALA 172 N 1.63 -0.56 -0.14 1.49 0.00 -1.99 -0.68 119.26 119.00 1j3g h ALA 172 Ca 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1j3g h ALA 172 Cb 0.83 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1j3g h ALA 172 CO -0.15 -0.83 0.09 0.00 0.00 0.00 0.00 179.25 178.37 1j3g h ARG 173 N -0.57 0.19 0.11 0.00 3.08 -1.60 -1.16 114.38 114.43 1j3g h ARG 173 Ca -0.04 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1j3g h ARG 173 Cb 0.46 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1j3g h ARG 173 CO 0.05 0.14 -0.21 0.35 -1.07 0.00 0.00 179.97 179.23 1j3g h PHE 174 N 0.19 -0.55 -0.15 3.04 3.57 -1.04 -0.13 116.94 121.87 1j3g h PHE 174 Ca 0.05 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1j3g h PHE 174 Cb -0.01 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1j3g h PHE 174 CO -0.06 -0.30 0.07 -0.09 -2.23 0.00 0.00 178.31 175.69 1j3g h ARG 175 N -0.40 0.15 -0.69 1.11 1.12 -1.10 -1.29 114.38 113.28 1j3g h ARG 175 Ca 0.03 -0.01 0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1j3g h ARG 175 Cb 0.42 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.31 1j3g h ARG 175 CO -0.12 0.10 0.46 0.00 -3.11 0.00 0.00 179.97 177.30 1j3g h ALA 176 N 1.08 1.54 -0.17 2.80 0.00 -0.80 -2.25 119.26 121.46 1j3g h ALA 176 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1j3g h ALA 176 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1j3g h ALA 176 CO -0.04 0.41 -0.32 -0.07 0.00 0.00 0.00 179.25 179.23 1j3g h LEU 177 N 0.90 0.57-10.24 0.00 3.38 -0.76 -3.45 115.31 105.71 1j3g h LEU 177 Ca 0.26 -0.55 -0.52 0.00 0.09 0.00 0.00 57.88 57.17 1j3g h LEU 177 Cb -0.05 -0.16 0.14 0.00 0.09 0.00 0.00 40.66 40.68 1j3g h LEU 177 CO -0.06 1.01 0.34 -0.69 0.09 0.00 0.00 178.44 179.12 1j3g s VAL 178 N -4.06 2.83 0.32 1.22 1.01 -0.51 -4.98 120.40 116.23 1j3g s VAL 178 Ca -0.13 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1j3g s VAL 178 Cb 0.06 -2.77 -0.13 0.00 0.00 0.00 0.00 36.38 33.55 1j3g s VAL 178 CO 0.80 -0.29 1.29 0.41 0.00 0.00 0.00 175.10 177.31 1j3g n THR 179 N -3.12 1.81 -0.62 3.92 -1.04 -1.26 -4.87 114.28 109.09 1j3g n THR 179 Ca 0.11 -0.45 -0.03 0.00 -2.04 0.00 0.00 64.05 61.64 1j3g n THR 179 Cb 0.52 -1.51 -0.04 0.00 -1.82 0.00 0.00 70.33 67.48 1j3g n THR 179 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j3g n PRO 180 N 0.84 1.24 -2.98 -2.82 -0.04 -1.26 -4.67 135.00 125.31 1j3g n PRO 180 Ca 0.06 -0.26 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 1j3g n PRO 180 Cb 0.35 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1j3g n PRO 180 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 181 N 1.69 -4.45 -3.15 3.54 2.88 -1.26 -4.94 113.62 107.93 1j3g n SER 181 Ca 0.10 -0.18 0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1j3g n SER 181 Cb 0.59 -3.68 -0.01 0.00 -0.75 0.00 0.00 64.21 60.36 1j3g n SER 181 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1j3g s SER 182 N -2.49 -1.21 -0.29 -3.46 0.15 -1.26 -5.15 113.70 99.99 1j3g s SER 182 Ca 0.25 0.51 -0.13 0.00 0.70 0.00 0.00 55.95 57.27 1j3g s SER 182 Cb -0.12 1.92 0.10 0.00 -1.71 0.00 0.00 66.02 66.21 1j3g s SER 182 CO 0.30 -0.22 0.67 -2.28 1.20 0.00 0.00 173.24 172.91 1j3g s HIS 183 N 2.88 -1.19 0.41 3.44 2.46 -1.26 -4.99 115.29 117.04 1j3g s HIS 183 Ca 0.15 2.22 -0.26 0.00 0.47 0.00 0.00 55.06 57.64 1j3g s HIS 183 Cb -0.12 0.71 -0.09 0.00 -0.13 0.00 0.00 32.58 32.96 1j3g s HIS 183 CO -0.21 -0.59 1.34 0.21 -2.47 0.00 0.00 174.74 173.02 1j3g s LYS 184 N 2.20 3.94 0.07 2.88 2.20 -1.26 -4.94 119.74 124.82 1j3g s LYS 184 Ca -0.08 2.23 -0.31 0.00 -0.36 0.00 0.00 55.97 57.45 1j3g s LYS 184 Cb -0.08 -2.76 -0.09 0.00 -1.51 0.00 0.00 37.83 33.39 1j3g s LYS 184 CO -0.20 -0.54 1.73 -1.83 -0.36 0.00 0.00 175.35 174.15 1j3g s GLU 185 N -2.25 4.18 -0.27 4.03 1.03 -1.26 -4.97 118.70 119.18 1j3g s GLU 185 Ca 0.57 2.41 -0.01 0.00 0.03 0.00 0.00 54.97 57.97 1j3g s GLU 185 Cb -0.40 -3.69 0.15 0.00 -0.80 0.00 0.00 34.13 29.40 1j3g s GLU 185 CO 0.51 -0.79 0.44 1.41 -1.33 0.00 0.00 175.26 175.50 1j3g s MET 186 N 2.98 0.42 0.00 -4.83 1.75 -1.26 -5.28 119.30 113.07 1j3g s MET 186 Ca 0.77 0.53 0.00 0.00 -1.25 0.00 0.00 55.69 55.74 1j3g s MET 186 Cb -0.41 -0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.06 1j3g s MET 186 CO 0.34 -0.76 0.00 2.41 -0.65 0.00 0.00 175.02 176.36