#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3g s LEU 2 N 0.00 4.38 -0.04 -0.89 0.20 -1.26 -5.03 118.68 116.04 1j3g s LEU 2 Ca 0.00 2.68 0.06 0.00 0.69 0.00 0.00 54.13 57.56 1j3g s LEU 2 Cb 0.00 -3.62 -0.01 0.00 -0.43 0.00 0.00 46.19 42.13 1j3g s LEU 2 CO 0.00 -0.73 -0.22 -0.76 -0.29 0.00 0.00 176.35 174.35 1j3g s LEU 3 N -0.20 2.01 -0.09 -0.68 1.43 -1.26 -3.73 118.68 116.16 1j3g s LEU 3 Ca 0.61 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1j3g s LEU 3 Cb -0.42 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1j3g s LEU 3 CO 0.42 0.22 -0.19 -0.62 0.23 0.00 0.00 176.35 176.41 1j3g s ASP 4 N -0.17 3.56 -0.90 2.29 2.15 -0.79 -4.69 116.67 118.13 1j3g s ASP 4 Ca -0.01 -0.40 -0.07 0.00 0.43 0.00 0.00 52.55 52.50 1j3g s ASP 4 Cb -0.12 -1.20 0.06 0.00 -0.30 0.00 0.00 42.92 41.36 1j3g s ASP 4 CO 0.02 0.22 0.25 -0.62 -0.17 0.00 0.00 175.17 174.87 1j3g n GLU 5 N 3.13 -2.65 -1.23 4.34 -0.58 -1.26 -1.03 120.64 121.35 1j3g n GLU 5 Ca -0.18 0.29 -0.05 0.00 -0.42 0.00 0.00 57.16 56.80 1j3g n GLU 5 Cb 0.52 -4.89 -0.02 0.00 -0.57 0.00 0.00 31.44 26.48 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 -0.86 0.76 3.39 0.62 0.00 -1.26 -5.04 105.19 102.80 1j3g n GLY 6 Ca -0.02 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.21 1.82 -0.09 1.61 0.52 -0.20 -4.93 118.94 115.46 1j3g s TRP 7 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 56.10 55.07 1j3g s TRP 7 Cb 0.00 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.27 1j3g s TRP 7 CO 0.00 0.20 1.16 -1.17 0.02 0.00 0.00 176.95 177.16 1j3g s LEU 8 N -3.39 4.25 1.05 2.99 0.20 -1.26 -1.88 118.68 120.64 1j3g s LEU 8 Ca 0.28 1.72 -0.15 0.00 0.69 0.00 0.00 54.13 56.67 1j3g s LEU 8 Cb 0.04 -3.55 0.22 0.00 -0.43 0.00 0.00 46.19 42.46 1j3g s LEU 8 CO 0.10 -0.59 1.14 0.00 -0.29 0.00 0.00 176.35 176.72 1j3g s ALA 9 N 2.41 1.17 -1.29 5.97 0.00 -1.24 -4.27 121.76 124.50 1j3g s ALA 9 Ca 0.54 -0.73 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 1j3g s ALA 9 Cb -0.22 -2.97 0.04 0.00 0.00 0.00 0.00 23.12 19.97 1j3g s ALA 9 CO 0.19 -2.95 0.53 0.39 0.00 0.00 0.00 175.76 173.92 1j3g n GLU 10 N -4.25 -0.36 -3.49 0.00 1.02 -1.26 -4.96 120.64 107.34 1j3g n GLU 10 Ca 0.10 0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 1j3g n GLU 10 Cb 0.59 -2.70 -0.04 0.00 -0.02 0.00 0.00 31.44 29.27 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j3g s ALA 11 N -3.72 -1.73 -0.01 0.62 0.00 -1.26 -4.73 121.76 110.92 1j3g s ALA 11 Ca 0.39 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 53.14 1j3g s ALA 11 Cb -0.22 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1j3g s ALA 11 CO 0.98 -0.50 0.91 0.50 0.00 0.00 0.00 175.76 177.65 1j3g s ARG 12 N -2.07 4.53 -0.27 0.00 3.52 -0.11 -4.92 118.95 119.64 1j3g s ARG 12 Ca -0.06 1.28 -0.26 0.00 -0.13 0.00 0.00 55.73 56.57 1j3g s ARG 12 Cb -0.00 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1j3g s ARG 12 CO 0.01 -0.01 0.90 -0.98 -0.81 0.00 0.00 175.30 174.41 1j3g s ARG 13 N 0.92 4.12 -0.37 5.12 1.70 -1.26 -1.39 118.95 127.79 1j3g s ARG 13 Ca 0.48 0.96 0.01 0.00 -0.47 0.00 0.00 55.73 56.70 1j3g s ARG 13 Cb -0.20 -3.68 0.14 0.00 -0.57 0.00 0.00 34.95 30.64 1j3g s ARG 13 CO 0.26 -0.65 0.23 0.08 -1.08 0.00 0.00 175.30 174.14 1j3g s VAL 14 N 3.08 0.34 0.02 4.99 1.01 -0.78 -4.97 120.40 124.09 1j3g s VAL 14 Ca 0.38 -1.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.11 1j3g s VAL 14 Cb -0.14 -1.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.91 1j3g s VAL 14 CO 0.10 -1.01 1.58 -2.16 0.00 0.00 0.00 175.10 173.61 1j3g s PRO 15 N 0.85 4.22 0.52 2.72 0.04 -1.26 -4.00 135.00 138.08 1j3g s PRO 15 Ca 0.20 2.18 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 1j3g s PRO 15 Cb -0.20 -3.69 -0.06 0.00 0.04 0.00 0.00 34.50 30.60 1j3g s PRO 15 CO -0.02 -0.71 1.29 0.45 0.04 0.00 0.00 177.00 178.05 1j3g s SER 16 N 2.47 5.54 0.40 6.66 0.15 -1.26 -4.95 113.70 122.71 1j3g s SER 16 Ca 0.71 2.61 0.21 0.00 0.70 0.00 0.00 55.95 60.17 1j3g s SER 16 Cb -0.36 -2.62 0.75 0.00 -1.71 0.00 0.00 66.02 62.09 1j3g s SER 16 CO 0.30 -1.37 1.76 1.55 1.20 0.00 0.00 173.24 176.68 1j3g h PRO 17 N 1.62 0.00 -2.46 5.44 0.13 -1.93 -3.44 132.00 131.35 1j3g h PRO 17 Ca -0.50 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.49 1j3g h PRO 17 Cb 1.28 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.12 1j3g h PRO 17 CO 0.58 0.32 -0.43 -1.58 -0.23 0.00 0.00 178.00 176.66 1j3g s HIS 18 N -3.62 -0.72 0.83 1.56 2.46 -1.26 -5.16 115.29 109.38 1j3g s HIS 18 Ca 0.00 1.26 -0.07 0.00 0.47 0.00 0.00 55.06 56.72 1j3g s HIS 18 Cb 0.11 0.17 0.16 0.00 -0.13 0.00 0.00 32.58 32.89 1j3g s HIS 18 CO 0.67 -0.50 1.14 0.71 -2.47 0.00 0.00 174.74 174.28 1j3g s TYR 19 N 2.56 1.54 0.53 3.88 1.51 -1.26 -4.45 117.35 121.66 1j3g s TYR 19 Ca 0.02 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 1j3g s TYR 19 Cb -0.13 -3.47 0.01 0.00 -0.11 0.00 0.00 41.96 38.27 1j3g s TYR 19 CO -0.12 -2.13 0.19 -0.51 -1.11 0.00 0.00 175.55 171.86 1j3g s ASP 20 N -4.81 4.36 -0.29 2.29 1.11 -1.04 -4.97 116.67 113.31 1j3g s ASP 20 Ca 0.70 -1.49 -0.15 0.00 0.18 0.00 0.00 52.55 51.79 1j3g s ASP 20 Cb -0.04 0.53 0.12 0.00 1.07 0.00 0.00 42.92 44.60 1j3g s ASP 20 CO 0.48 -0.99 0.83 0.00 1.18 0.00 0.00 175.17 176.67 1j3g s ARG 22 N 1.79 0.89 -1.42 0.00 1.81 -1.26 -5.06 118.95 115.70 1j3g s ARG 22 Ca -0.08 -1.13 -0.14 0.00 -1.72 0.00 0.00 55.73 52.66 1j3g s ARG 22 Cb -0.05 -0.72 -0.01 0.00 -0.45 0.00 0.00 34.95 33.72 1j3g s ARG 22 CO -0.18 0.13 2.35 -0.35 -0.68 0.00 0.00 175.30 176.58 1j3g n PRO 23 N 0.73 2.89 -3.97 3.54 -0.04 -1.26 -4.83 135.00 132.05 1j3g n PRO 23 Ca -0.17 -2.42 -0.08 0.00 -0.04 0.00 0.00 63.50 60.79 1j3g n PRO 23 Cb 0.57 -3.13 -0.09 0.00 -0.04 0.00 0.00 33.50 30.81 1j3g n PRO 23 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1j3g s ASP 24 N 3.15 0.29 -0.27 3.54 1.11 -1.26 -5.10 116.67 118.14 1j3g s ASP 24 Ca 0.52 -0.80 -0.00 0.00 0.18 0.00 0.00 52.55 52.45 1j3g s ASP 24 Cb 0.15 0.26 0.15 0.00 1.07 0.00 0.00 42.92 44.55 1j3g s ASP 24 CO -0.06 -0.65 0.38 -1.81 1.18 0.00 0.00 175.17 174.20 1j3g s ASP 25 N -2.82 0.55 0.32 0.27 1.01 -1.26 -5.17 116.67 109.58 1j3g s ASP 25 Ca 0.05 -0.21 0.05 0.00 0.71 0.00 0.00 52.55 53.14 1j3g s ASP 25 Cb 0.06 1.00 -0.03 0.00 1.01 0.00 0.00 42.92 44.96 1j3g s ASP 25 CO -0.10 -0.34 0.20 -0.70 0.21 0.00 0.00 175.17 174.44 1j3g s GLU 26 N 2.51 1.66 -0.18 8.23 -6.30 -1.26 -5.13 118.70 118.23 1j3g s GLU 26 Ca 0.11 -1.96 -0.25 0.00 -2.50 0.00 0.00 54.97 50.36 1j3g s GLU 26 Cb -0.14 0.05 -0.01 0.00 0.00 0.00 0.00 34.13 34.03 1j3g s GLU 26 CO -0.25 -0.53 0.83 1.21 0.02 0.00 0.00 175.26 176.54 1j3g s ASN 27 N -3.38 6.93 -0.65 -1.70 2.47 -1.26 -5.02 114.94 112.33 1j3g s ASN 27 Ca 0.36 1.15 -0.27 0.00 0.42 0.00 0.00 52.86 54.53 1j3g s ASN 27 Cb 0.04 -2.45 0.03 0.00 -1.45 0.00 0.00 41.25 37.42 1j3g s ASN 27 CO 0.21 -0.42 1.19 -2.16 -3.72 0.00 0.00 177.10 172.19 1j3g s PRO 28 N 2.27 3.33 -0.34 0.43 0.04 -1.26 -4.72 135.00 134.75 1j3g s PRO 28 Ca 0.38 -0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.31 1j3g s PRO 28 Cb -0.16 -4.11 0.28 0.00 0.04 0.00 0.00 34.50 30.55 1j3g s PRO 28 CO 0.11 -1.87 1.23 0.45 0.04 0.00 0.00 177.00 176.96 1j3g n SER 29 N 8.69 -1.39 -3.72 6.66 2.88 -1.26 -4.37 113.62 121.10 1j3g n SER 29 Ca 0.05 -1.89 -0.12 0.00 -1.33 0.00 0.00 58.87 55.57 1j3g n SER 29 Cb 0.49 0.82 -0.12 0.00 -0.75 0.00 0.00 64.21 64.65 1j3g n SER 29 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1j3g s LEU 30 N -0.26 0.30 -0.15 2.46 2.96 -1.26 -4.00 118.68 118.73 1j3g s LEU 30 Ca 0.26 0.62 -0.25 0.00 -0.22 0.00 0.00 54.13 54.54 1j3g s LEU 30 Cb 0.22 0.91 -0.02 0.00 0.50 0.00 0.00 46.19 47.79 1j3g s LEU 30 CO -0.10 -0.17 0.83 -0.22 -1.32 0.00 0.00 176.35 175.36 1j3g s LEU 31 N 1.25 4.20 -0.32 -0.68 2.96 -0.73 -3.09 118.68 122.27 1j3g s LEU 31 Ca -0.09 1.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.93 1j3g s LEU 31 Cb -0.09 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.37 1j3g s LEU 31 CO -0.09 -0.37 0.13 -0.69 -1.32 0.00 0.00 176.35 174.01 1j3g s VAL 32 N 1.97 4.29 -0.27 1.68 1.01 -1.19 -1.74 120.40 126.15 1j3g s VAL 32 Ca 0.39 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1j3g s VAL 32 Cb -0.17 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1j3g s VAL 32 CO 0.14 0.01 -0.03 -0.69 0.00 0.00 0.00 175.10 174.52 1j3g s VAL 33 N 1.54 3.04 -0.21 2.92 1.01 0.91 -3.77 120.40 125.84 1j3g s VAL 33 Ca 0.03 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.67 1j3g s VAL 33 Cb -0.18 -2.59 0.09 0.00 0.00 0.00 0.00 36.38 33.70 1j3g s VAL 33 CO 0.05 0.11 0.84 -1.38 0.00 0.00 0.00 175.10 174.72 1j3g s HIS 34 N 1.33 -0.61 -0.38 5.22 -3.43 -1.26 -3.98 115.29 112.17 1j3g s HIS 34 Ca -0.01 1.35 -0.17 0.00 -0.80 0.00 0.00 55.06 55.43 1j3g s HIS 34 Cb -0.17 0.35 0.01 0.00 -1.43 0.00 0.00 32.58 31.33 1j3g s HIS 34 CO -0.03 -0.38 0.45 1.21 -2.00 0.00 0.00 174.74 174.00 1j3g s ASN 35 N -0.21 6.23 0.41 7.38 2.47 -1.26 -3.07 114.94 126.89 1j3g s ASN 35 Ca -0.02 -0.36 0.03 0.00 0.42 0.00 0.00 52.86 52.94 1j3g s ASN 35 Cb -0.03 -2.24 -0.03 0.00 -1.45 0.00 0.00 41.25 37.50 1j3g s ASN 35 CO 0.01 -0.51 0.09 -0.63 -3.72 0.00 0.00 177.10 172.35 1j3g s ILE 36 N 2.23 0.84 -0.30 -5.21 -1.09 -1.06 -4.92 121.20 111.69 1j3g s ILE 36 Ca 0.15 -2.00 -0.11 0.00 -2.23 0.00 0.00 60.65 56.45 1j3g s ILE 36 Cb -0.16 -2.41 0.12 0.00 -1.58 0.00 0.00 42.46 38.43 1j3g s ILE 36 CO 0.13 0.00 0.67 -0.55 -1.23 0.00 0.00 174.94 173.96 1j3g s SER 37 N -3.64 -1.10 0.00 3.58 0.15 -1.26 -1.92 113.70 109.51 1j3g s SER 37 Ca 0.23 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.43 1j3g s SER 37 Cb 0.04 2.13 0.00 0.00 -1.71 0.00 0.00 66.02 66.48 1j3g s SER 37 CO 0.13 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.24 1j3g n LEU 38 N 5.24 0.00 -4.84 3.45 0.00 -1.26 -5.05 117.00 114.54 1j3g n LEU 38 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 56.01 55.55 1j3g n LEU 38 Cb 0.51 0.03 -0.06 0.00 0.00 0.00 0.00 43.42 43.89 1j3g n LEU 38 CO -0.04 -0.19 0.53 -2.16 0.00 0.00 0.00 177.39 175.53 1j3g s PRO 39 N -1.39 4.10 0.00 1.96 0.04 -1.26 -4.70 135.00 133.75 1j3g s PRO 39 Ca 0.00 0.88 0.07 0.00 0.04 0.00 0.00 61.00 61.98 1j3g s PRO 39 Cb 0.00 -2.31 0.40 0.00 0.04 0.00 0.00 34.50 32.64 1j3g s PRO 39 CO 0.00 0.05 1.09 -0.35 0.04 0.00 0.00 177.00 177.83 1j3g n PRO 40 N -0.56 0.81 0.00 0.56 -0.04 -1.26 -4.57 135.00 129.93 1j3g n PRO 40 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1j3g n PRO 40 Cb 0.54 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.39 -0.56 3.49 0.55 0.00 -1.26 -4.43 105.19 103.36 1j3g n GLY 41 Ca 0.05 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.74 0.50 -0.26 1.61 2.02 -1.26 -5.17 118.70 113.40 1j3g s GLU 42 Ca 0.00 1.20 -0.32 0.00 0.02 0.00 0.00 54.97 55.87 1j3g s GLU 42 Cb 0.00 0.46 0.17 0.00 0.10 0.00 0.00 34.13 34.86 1j3g s GLU 42 CO 0.00 -0.20 1.32 -0.06 0.02 0.00 0.00 175.26 176.34 1j3g s PHE 43 N 2.38 -0.07 -2.45 1.61 0.08 -1.26 -5.05 117.98 113.23 1j3g s PHE 43 Ca -0.06 0.09 0.24 0.00 0.12 0.00 0.00 56.93 57.33 1j3g s PHE 43 Cb -0.10 0.50 0.82 0.00 -0.57 0.00 0.00 43.02 43.66 1j3g s PHE 43 CO -0.17 -0.08 1.60 0.41 -0.10 0.00 0.00 175.22 176.89 1j3g n GLY 44 N 0.31 0.31 3.60 4.36 0.00 -1.26 -4.87 105.19 107.65 1j3g n GLY 44 Ca 0.01 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.79 1.82 0.00 -0.02 0.00 -1.26 -4.96 107.32 101.11 1j3g s GLY 45 Ca 0.35 -0.67 0.26 0.00 0.00 0.00 0.00 44.72 44.66 1j3g s GLY 45 CO 0.30 1.31 1.90 -1.55 0.00 0.00 0.00 173.10 175.06 1j3g n PRO 46 N 5.67 0.51 -0.24 2.90 -0.04 -1.26 -3.62 135.00 138.92 1j3g n PRO 46 Ca -0.03 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1j3g n PRO 46 Cb 0.49 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 1j3g n PRO 46 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1j3g h TRP 47 N 0.00 1.15 -0.22 0.54 2.91 -1.98 0.83 115.95 119.18 1j3g h TRP 47 Ca 0.00 -0.14 -0.03 0.00 1.13 0.00 0.00 58.89 59.85 1j3g h TRP 47 Cb 0.17 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 28.49 1j3g h TRP 47 CO 0.00 0.94 0.01 0.82 -1.03 0.00 0.00 178.44 179.18 1j3g h ILE 48 N 1.04 1.25 -0.38 2.65 2.04 -1.84 -2.67 117.51 119.60 1j3g h ILE 48 Ca 0.22 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1j3g h ILE 48 Cb 0.37 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1j3g h ILE 48 CO 0.00 0.26 0.24 -0.78 0.00 0.00 0.00 178.15 177.87 1j3g h ASP 49 N 0.15 0.40 -0.69 1.72 3.58 -1.66 -2.65 116.42 117.28 1j3g h ASP 49 Ca 0.06 -0.01 0.13 0.00 0.42 0.00 0.00 57.03 57.63 1j3g h ASP 49 Cb 0.37 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 1j3g h ASP 49 CO 0.01 0.29 0.46 0.00 -2.88 0.00 0.00 179.24 177.13 1j3g h ALA 50 N 1.15 2.06 0.38 -0.78 0.00 -0.76 0.99 119.26 122.31 1j3g h ALA 50 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1j3g h ALA 50 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1j3g h ALA 50 CO -0.05 -0.24 -0.18 1.25 0.00 0.00 0.00 179.25 180.03 1j3g h LEU 51 N 0.42 -0.44 -0.28 0.00 6.46 -1.12 -0.63 115.31 119.73 1j3g h LEU 51 Ca 0.33 -0.10 -0.13 0.00 -0.12 0.00 0.00 57.88 57.87 1j3g h LEU 51 Cb 0.71 0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1j3g h LEU 51 CO -0.10 -0.15 -0.32 -0.26 -0.62 0.00 0.00 178.44 176.99 1j3g h PHE 52 N -0.73 0.85 -0.26 1.25 -1.00 -1.20 -3.04 116.94 112.80 1j3g h PHE 52 Ca -0.05 -0.27 -0.08 0.00 2.81 0.00 0.00 57.97 60.38 1j3g h PHE 52 Cb 0.51 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 1j3g h PHE 52 CO -0.00 1.02 -0.18 0.00 -1.61 0.00 0.00 178.31 177.54 1j3g h THR 53 N 0.44 1.24 0.00 -1.55 1.03 -0.96 -3.48 112.91 109.63 1j3g h THR 53 Ca 0.04 -1.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.34 1j3g h THR 53 Cb 0.89 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 69.21 1j3g h THR 53 CO 0.08 0.35 0.00 0.61 -0.01 0.00 0.00 175.52 176.55 1j3g n GLY 54 N -0.55 0.73 0.68 2.99 0.00 -0.49 -5.00 105.19 103.54 1j3g n GLY 54 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.08 0.55 -1.62 2.61 -2.24 -0.37 -4.96 114.28 107.17 1j3g n THR 55 Ca 0.00 -0.47 -0.46 0.00 -2.27 0.00 0.00 64.05 60.85 1j3g n THR 55 Cb 0.00 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.46 1.18 -3.68 2.28 3.06 -0.68 -4.96 119.36 117.02 1j3g n ILE 56 Ca 0.11 -0.30 -0.36 0.00 -2.50 0.00 0.00 62.75 59.71 1j3g n ILE 56 Cb 0.33 -1.16 -0.07 0.00 0.54 0.00 0.00 39.64 39.27 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 -0.01 6.31 -0.96 9.51 2.15 -1.26 -5.00 116.67 127.41 1j3g s ASP 57 Ca 0.67 0.36 -0.10 0.00 0.43 0.00 0.00 52.55 53.91 1j3g s ASP 57 Cb -0.73 -2.12 -0.08 0.00 -0.30 0.00 0.00 42.92 39.70 1j3g s ASP 57 CO 0.53 0.18 2.14 -0.81 -0.17 0.00 0.00 175.17 177.04 1j3g n PRO 58 N 3.34 2.11 -0.02 4.34 -0.04 -1.26 -4.41 135.00 139.05 1j3g n PRO 58 Ca -0.15 -1.67 -0.03 0.00 -0.04 0.00 0.00 63.50 61.61 1j3g n PRO 58 Cb 0.52 -2.64 -0.01 0.00 -0.04 0.00 0.00 33.50 31.34 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 5.06 0.71 -0.08 3.54 2.85 -1.26 -4.76 115.26 121.33 1j3g n ASN 59 Ca 0.49 0.12 -0.09 0.00 -0.11 0.00 0.00 54.58 54.99 1j3g n ASN 59 Cb 0.22 -0.49 -0.03 0.00 1.24 0.00 0.00 39.78 40.72 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 -1.23 -0.26 -2.31 5.20 0.00 -2.03 -3.46 119.26 115.16 1j3g h ALA 60 Ca 0.00 0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.21 1j3g h ALA 60 Cb 0.31 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1j3g h ALA 60 CO 0.00 -0.76 0.70 -3.38 0.00 0.00 0.00 179.25 175.81 1j3g s HIS 61 N -5.99 0.04 0.05 0.00 -3.43 -1.26 -5.08 115.29 99.62 1j3g s HIS 61 Ca -0.15 -0.32 -0.18 0.00 -0.80 0.00 0.00 55.06 53.62 1j3g s HIS 61 Cb 0.12 0.64 -0.16 0.00 -1.43 0.00 0.00 32.58 31.75 1j3g s HIS 61 CO 0.67 -0.67 1.27 -1.00 -2.00 0.00 0.00 174.74 173.01 1j3g h PRO 62 N 2.00 0.54 -0.04 -0.38 0.13 -1.89 -3.32 132.00 129.03 1j3g h PRO 62 Ca -0.26 -0.39 0.03 0.00 -0.87 0.00 0.00 66.00 64.51 1j3g h PRO 62 Cb 1.21 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 1j3g h PRO 62 CO 0.33 1.01 -0.43 -0.92 -0.23 0.00 0.00 178.00 177.76 1j3g h TYR 63 N 0.16 -1.24 -0.53 1.56 3.20 -1.98 0.87 116.97 119.00 1j3g h TYR 63 Ca -0.02 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1j3g h TYR 63 Cb 1.06 0.55 -0.03 0.00 1.54 0.00 0.00 36.73 39.85 1j3g h TYR 63 CO 0.10 -0.50 0.33 0.35 -1.64 0.00 0.00 178.16 176.80 1j3g h PHE 64 N -0.56 0.62 -0.52 -3.82 3.04 -2.00 -1.32 116.94 112.38 1j3g h PHE 64 Ca 0.05 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 1j3g h PHE 64 Cb 0.66 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 1j3g h PHE 64 CO -0.45 0.37 0.21 0.00 -2.02 0.00 0.00 178.31 176.42 1j3g h ALA 65 N 1.22 0.67 0.54 2.41 0.00 -1.62 -3.20 119.26 119.27 1j3g h ALA 65 Ca 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1j3g h ALA 65 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1j3g h ALA 65 CO -0.07 0.27 -0.47 0.78 0.00 0.00 0.00 179.25 179.76 1j3g h GLY 66 N 0.69 -1.25 0.11 0.00 0.00 -0.15 -3.22 103.07 99.25 1j3g h GLY 66 Ca 0.17 0.56 0.18 0.00 0.00 0.00 0.00 47.33 48.24 1j3g h GLY 66 CO -0.02 -0.38 0.50 0.16 0.00 0.00 0.00 176.54 176.81 1j3g h ILE 67 N -0.99 0.67 -0.90 2.60 3.07 -1.31 -3.12 117.51 117.53 1j3g h ILE 67 Ca -0.07 -0.22 0.31 0.00 1.55 0.00 0.00 64.86 66.43 1j3g h ILE 67 Cb 0.84 -0.03 -0.17 0.00 -0.27 0.00 0.00 36.82 37.20 1j3g h ILE 67 CO -0.02 0.12 0.24 0.00 -1.05 0.00 0.00 178.15 177.43 1j3g n ALA 68 N -2.39 0.68 -0.09 0.16 0.00 -1.21 -0.49 120.51 117.16 1j3g n ALA 68 Ca 0.21 0.94 0.02 0.00 0.00 0.00 0.00 53.44 54.61 1j3g n ALA 68 Cb 0.53 -0.80 0.32 0.00 0.00 0.00 0.00 19.45 19.51 1j3g n ALA 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j3g h HIS 69 N 0.00 0.70 -3.37 0.00 3.86 -1.74 -3.39 115.15 111.21 1j3g h HIS 69 Ca 0.65 -0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 59.30 1j3g h HIS 69 Cb 1.54 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 29.74 1j3g h HIS 69 CO -0.25 0.48 0.07 -0.51 0.86 0.00 0.00 177.93 178.58 1j3g s LEU 70 N -9.56 4.46 0.71 2.43 1.02 0.36 -5.06 118.68 113.04 1j3g s LEU 70 Ca -0.09 1.33 -0.16 0.00 0.02 0.00 0.00 54.13 55.23 1j3g s LEU 70 Cb 0.17 -3.08 0.03 0.00 0.02 0.00 0.00 46.19 43.33 1j3g s LEU 70 CO 0.76 0.09 1.21 0.00 0.02 0.00 0.00 176.35 178.43 1j3g s ARG 71 N -0.31 2.27 0.33 1.70 3.03 -1.26 -4.95 118.95 119.75 1j3g s ARG 71 Ca 0.34 1.78 0.09 0.00 2.03 0.00 0.00 55.73 59.97 1j3g s ARG 71 Cb -0.20 -1.85 -0.05 0.00 -1.03 0.00 0.00 34.95 31.82 1j3g s ARG 71 CO 0.21 -1.74 -0.02 0.14 -1.13 0.00 0.00 175.30 172.76 1j3g s VAL 72 N -1.91 2.65 -0.29 4.99 -7.23 -1.26 -4.92 120.40 112.42 1j3g s VAL 72 Ca 0.75 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 1j3g s VAL 72 Cb -0.30 -2.74 0.16 0.00 0.56 0.00 0.00 36.38 34.06 1j3g s VAL 72 CO 0.44 -0.24 1.01 -0.44 -0.31 0.00 0.00 175.10 175.57 1j3g s SER 73 N -3.68 -0.46 0.00 4.85 0.01 -1.24 -4.71 113.70 108.47 1j3g s SER 73 Ca 0.34 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.31 1j3g s SER 73 Cb -0.01 1.27 0.00 0.00 0.21 0.00 0.00 66.02 67.49 1j3g s SER 73 CO 0.19 -0.11 0.00 0.00 0.41 0.00 0.00 173.24 173.73 1j3g n ALA 74 N 3.88 0.00 0.06 1.44 0.00 -1.26 -0.55 120.51 124.07 1j3g n ALA 74 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1j3g n ALA 74 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -0.53 -3.68 0.00 8.25 -1.13 -4.44 115.22 113.69 1j3g n HIS 75 Ca 0.00 0.09 -0.17 0.00 -0.26 0.00 0.00 57.72 57.38 1j3g n HIS 75 Cb 0.00 0.14 -0.16 0.00 1.12 0.00 0.00 29.99 31.09 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 2.12 2.97 -0.32 0.00 0.20 -0.04 -0.33 118.68 123.28 1j3g s LEU 77 Ca 0.02 -1.09 -0.14 0.00 0.69 0.00 0.00 54.13 53.60 1j3g s LEU 77 Cb -0.12 -1.54 -0.02 0.00 -0.43 0.00 0.00 46.19 44.08 1j3g s LEU 77 CO -0.05 -0.12 0.33 -0.63 -0.29 0.00 0.00 176.35 175.59 1j3g s ILE 78 N 1.19 5.20 0.51 6.68 1.01 -0.70 -1.56 121.20 133.52 1j3g s ILE 78 Ca -0.03 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.56 1j3g s ILE 78 Cb -0.17 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.46 1j3g s ILE 78 CO -0.08 -0.01 0.99 -0.60 0.00 0.00 0.00 174.94 175.25 1j3g s ARG 79 N 1.97 3.91 0.63 2.79 3.52 0.00 -0.37 118.95 131.39 1j3g s ARG 79 Ca 0.11 1.05 0.23 0.00 -0.13 0.00 0.00 55.73 56.99 1j3g s ARG 79 Cb -0.16 -2.13 1.08 0.00 -1.56 0.00 0.00 34.95 32.18 1j3g s ARG 79 CO 0.11 -0.31 1.57 0.07 -0.81 0.00 0.00 175.30 175.93 1j3g h ARG 80 N 1.08 0.00 -1.20 5.12 -0.00 -1.44 -2.36 114.38 115.59 1j3g h ARG 80 Ca -0.47 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.17 1j3g h ARG 80 Cb 1.19 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 30.99 1j3g h ARG 80 CO 0.61 0.00 0.43 -3.47 -0.00 0.00 0.00 179.97 177.54 1j3g n ASP 81 N -3.16 4.94 -2.24 0.08 -0.08 -1.26 -3.96 116.55 110.86 1j3g n ASP 81 Ca 0.09 -3.05 -0.20 0.00 -1.51 0.00 0.00 54.79 50.12 1j3g n ASP 81 Cb 0.90 -0.86 -0.01 0.00 2.34 0.00 0.00 41.12 43.50 1j3g n ASP 81 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j3g n GLY 82 N -0.18 -0.35 3.87 0.27 0.00 -0.90 -4.99 105.19 102.91 1j3g n GLY 82 Ca 0.35 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.94 3.54 -0.25 1.61 0.41 -1.13 -4.93 118.70 113.02 1j3g s GLU 83 Ca 0.00 -0.03 -0.01 0.00 -0.41 0.00 0.00 54.97 54.52 1j3g s GLU 83 Cb 0.00 -3.18 0.03 0.00 -1.78 0.00 0.00 34.13 29.20 1j3g s GLU 83 CO 0.00 0.75 -0.07 0.42 -0.49 0.00 0.00 175.26 175.87 1j3g s ILE 84 N -1.08 2.76 -0.06 -1.63 1.01 -1.26 -0.82 121.20 120.11 1j3g s ILE 84 Ca 0.18 -1.15 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1j3g s ILE 84 Cb -0.13 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1j3g s ILE 84 CO 0.07 0.15 -0.09 -0.69 0.00 0.00 0.00 174.94 174.38 1j3g s VAL 85 N 1.28 3.49 -0.27 2.92 1.01 -0.60 -0.93 120.40 127.30 1j3g s VAL 85 Ca -0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1j3g s VAL 85 Cb -0.17 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1j3g s VAL 85 CO -0.05 0.59 0.11 -1.58 0.00 0.00 0.00 175.10 174.18 1j3g s GLN 86 N -0.74 3.61 -0.25 2.72 0.74 -0.48 -0.86 119.66 124.40 1j3g s GLN 86 Ca 0.11 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 55.01 1j3g s GLN 86 Cb -0.11 -3.43 0.04 0.00 1.10 0.00 0.00 33.01 30.61 1j3g s GLN 86 CO 0.01 -0.25 -0.09 0.71 -0.55 0.00 0.00 175.29 175.12 1j3g s TYR 87 N 1.63 3.12 -0.16 1.67 1.51 -0.69 -1.88 117.35 122.57 1j3g s TYR 87 Ca 0.06 -1.90 -0.01 0.00 -1.01 0.00 0.00 57.07 54.21 1j3g s TYR 87 Cb -0.16 -2.00 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 1j3g s TYR 87 CO 0.05 -0.81 0.03 0.28 -1.11 0.00 0.00 175.55 173.99 1j3g n VAL 88 N 4.57 -7.65 -0.28 0.71 0.31 -1.26 -2.84 118.33 111.89 1j3g n VAL 88 Ca -0.16 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.28 1j3g n VAL 88 Cb 0.45 -5.52 0.00 0.00 -0.91 0.00 0.00 33.84 27.86 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 0.48 -0.91 0.00 5.55 -0.04 -1.26 -4.53 135.00 134.29 1j3g n PRO 89 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1j3g n PRO 89 Cb 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 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 -2.31 0.00 -3.64 0.54 3.72 -1.26 -4.58 117.46 109.94 1j3g n PHE 90 Ca 0.00 -0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1j3g n PHE 90 Cb 0.00 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.42 -0.87 0.00 4.37 -1.08 -1.26 -5.03 116.67 112.38 1j3g s ASP 91 Ca 0.00 1.47 0.00 0.00 -0.52 0.00 0.00 52.55 53.50 1j3g s ASP 91 Cb 0.00 1.40 0.00 0.00 -1.46 0.00 0.00 42.92 42.86 1j3g s ASP 91 CO 0.00 -0.24 0.00 1.17 0.52 0.00 0.00 175.17 176.62 1j3g n LYS 92 N 3.75 0.00 -0.97 4.34 3.00 -1.26 -5.02 118.16 121.99 1j3g n LYS 92 Ca -0.18 0.34 -0.31 0.00 -0.00 0.00 0.00 58.31 58.16 1j3g n LYS 92 Cb 0.58 -0.95 -0.00 0.00 0.00 0.00 0.00 35.03 34.65 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 -3.37 1.64 3.00 -1.26 -4.67 116.66 111.73 1j3g n ARG 93 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 1j3g n ARG 93 Cb 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 32.46 31.72 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j3g s ALA 94 N -1.32 4.49 -0.25 5.13 0.00 -1.26 -2.51 121.76 126.03 1j3g s ALA 94 Ca 0.44 -1.79 -0.07 0.00 0.00 0.00 0.00 51.96 50.55 1j3g s ALA 94 Cb -0.46 -1.19 0.12 0.00 0.00 0.00 0.00 23.12 21.59 1j3g s ALA 94 CO 0.48 -0.56 0.53 -0.46 0.00 0.00 0.00 175.76 175.75 1j3g s TRP 95 N -2.62 -1.11 -0.45 0.00 -0.00 0.28 -4.60 118.94 110.44 1j3g s TRP 95 Ca 0.50 1.83 0.06 0.00 -0.00 0.00 0.00 56.10 58.49 1j3g s TRP 95 Cb -0.05 0.52 0.30 0.00 -0.00 0.00 0.00 33.47 34.24 1j3g s TRP 95 CO 0.31 -0.62 1.08 -2.39 -0.00 0.00 0.00 176.95 175.33 1j3g n HIS 96 N 5.42 -2.75 0.12 5.86 1.44 -1.26 -3.67 115.22 120.38 1j3g n HIS 96 Ca -0.09 -1.86 0.00 0.00 -2.01 0.00 0.00 57.72 53.76 1j3g n HIS 96 Cb 0.49 1.57 0.00 0.00 0.12 0.00 0.00 29.99 32.17 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 0.78 0.00 0.00 1.59 0.00 -1.26 -4.90 120.51 116.72 1j3g n ALA 97 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1j3g n ALA 97 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.39 1.93 2.96 0.00 0.00 -1.26 -5.02 105.19 102.42 1j3g n GLY 98 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 0.19 0.21 1.61 1.01 -1.26 -3.76 120.40 118.40 1j3g s VAL 99 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1j3g s VAL 99 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1j3g s VAL 99 CO 0.00 -0.29 0.52 -0.94 0.00 0.00 0.00 175.10 174.39 1j3g s SER 100 N -0.97 -0.20 -0.06 3.32 1.04 -0.80 -4.89 113.70 111.14 1j3g s SER 100 Ca -0.09 -0.62 -0.16 0.00 0.48 0.00 0.00 55.95 55.56 1j3g s SER 100 Cb -0.07 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1j3g s SER 100 CO -0.00 -1.10 0.37 -0.94 0.98 0.00 0.00 173.24 172.55 1j3g s SER 101 N -2.92 -0.30 -0.09 7.02 1.04 -1.26 -0.04 113.70 117.16 1j3g s SER 101 Ca 0.13 0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.87 1j3g s SER 101 Cb -0.01 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1j3g s SER 101 CO 0.01 -0.36 0.21 -0.47 0.98 0.00 0.00 173.24 173.61 1j3g s TYR 102 N -0.83 -0.25 -0.96 5.02 5.04 0.36 -4.14 117.35 121.59 1j3g s TYR 102 Ca -0.09 0.63 -0.15 0.00 -2.44 0.00 0.00 57.07 55.02 1j3g s TYR 102 Cb -0.04 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.32 1j3g s TYR 102 CO 0.04 -0.17 0.61 1.04 -1.34 0.00 0.00 175.55 175.73 1j3g n GLN 103 N 3.74 -0.95 -2.34 4.97 6.02 -1.26 -1.68 117.38 125.87 1j3g n GLN 103 Ca -0.21 0.43 -0.21 0.00 -0.01 0.00 0.00 57.00 57.00 1j3g n GLN 103 Cb 0.55 -2.22 -0.02 0.00 1.02 0.00 0.00 30.24 29.58 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 -1.81 -0.32 3.04 1.08 0.00 -1.26 -5.00 105.19 100.92 1j3g n GLY 104 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.95 1.16 0.02 1.61 6.06 -0.68 -5.15 118.95 117.02 1j3g s ARG 105 Ca 0.00 -0.39 0.01 0.00 -2.50 0.00 0.00 55.73 52.85 1j3g s ARG 105 Cb 0.00 -1.06 -0.04 0.00 0.06 0.00 0.00 34.95 33.91 1j3g s ARG 105 CO 0.00 0.16 0.07 -2.00 -2.50 0.00 0.00 175.30 171.04 1j3g s GLU 106 N 0.09 2.98 -0.14 5.12 -6.30 -1.26 -0.48 118.70 118.71 1j3g s GLU 106 Ca -0.02 -0.56 -0.00 0.00 -2.50 0.00 0.00 54.97 51.88 1j3g s GLU 106 Cb -0.09 -2.80 0.03 0.00 0.00 0.00 0.00 34.13 31.27 1j3g s GLU 106 CO 0.01 0.62 -0.09 1.03 0.02 0.00 0.00 175.26 176.84 1j3g s ARG 107 N -1.93 1.78 0.34 4.30 0.52 0.94 -4.94 118.95 119.96 1j3g s ARG 107 Ca 0.25 -0.46 0.18 0.00 -0.52 0.00 0.00 55.73 55.17 1j3g s ARG 107 Cb -0.12 -1.92 0.18 0.00 0.52 0.00 0.00 34.95 33.61 1j3g s ARG 107 CO 0.16 -0.31 1.51 0.00 0.02 0.00 0.00 175.30 176.68 1j3g s ASN 109 N -6.37 0.73 -1.08 0.00 0.01 -1.25 -4.50 114.94 102.49 1j3g s ASN 109 Ca 0.05 -1.43 -0.07 0.00 -0.71 0.00 0.00 52.86 50.70 1j3g s ASN 109 Cb 0.07 0.56 0.28 0.00 0.41 0.00 0.00 41.25 42.57 1j3g s ASN 109 CO 0.72 -1.11 1.20 -0.67 -1.51 0.00 0.00 177.10 175.73 1j3g n ASP 110 N -1.00 5.68 -1.97 -1.22 -0.08 -1.26 -4.85 116.55 111.84 1j3g n ASP 110 Ca 0.02 -3.17 -0.20 0.00 -1.51 0.00 0.00 54.79 49.93 1j3g n ASP 110 Cb 0.63 -1.31 0.10 0.00 2.34 0.00 0.00 41.12 42.89 1j3g n ASP 110 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1j3g n PHE 111 N 2.18 2.28 -4.63 -0.67 1.16 -1.26 -4.09 117.46 112.44 1j3g n PHE 111 Ca 0.25 -1.85 -0.22 0.00 -1.87 0.00 0.00 57.45 53.75 1j3g n PHE 111 Cb 0.37 -0.92 -0.15 0.00 -1.61 0.00 0.00 39.48 37.17 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 -0.71 1.63 -1.03 5.98 0.01 -1.26 -4.32 113.70 113.99 1j3g s SER 112 Ca 0.44 -0.25 -0.08 0.00 1.31 0.00 0.00 55.95 57.36 1j3g s SER 112 Cb 0.36 -0.24 -0.14 0.00 0.21 0.00 0.00 66.02 66.21 1j3g s SER 112 CO 0.05 0.16 3.01 0.00 0.41 0.00 0.00 173.24 176.86 1j3g n ILE 113 N 2.85 3.62 0.00 1.44 0.00 -1.26 -4.81 119.36 121.20 1j3g n ILE 113 Ca -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 62.75 60.52 1j3g n ILE 113 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 39.64 37.83 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 3.27 0.79 3.27 4.50 0.00 -1.18 -4.71 105.19 111.14 1j3g n GLY 114 Ca 0.63 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.07 -0.05 -0.61 -1.09 -1.26 -4.42 121.20 113.83 1j3g s ILE 115 Ca 0.00 -1.66 -0.04 0.00 -2.23 0.00 0.00 60.65 56.72 1j3g s ILE 115 Cb 0.00 -2.02 0.02 0.00 -1.58 0.00 0.00 42.46 38.88 1j3g s ILE 115 CO 0.00 -0.31 0.13 -0.70 -1.23 0.00 0.00 174.94 172.83 1j3g s GLU 116 N -4.03 0.13 -0.15 2.79 2.12 0.56 -3.19 118.70 116.93 1j3g s GLU 116 Ca 0.23 0.23 -0.10 0.00 0.36 0.00 0.00 54.97 55.69 1j3g s GLU 116 Cb 0.05 -0.01 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 1j3g s GLU 116 CO 0.03 -0.06 0.18 -0.51 -0.54 0.00 0.00 175.26 174.36 1j3g s LEU 117 N 0.42 4.30 -0.11 2.70 1.43 -1.17 -1.72 118.68 124.53 1j3g s LEU 117 Ca -0.03 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1j3g s LEU 117 Cb -0.04 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1j3g s LEU 117 CO -0.02 0.26 0.03 -0.70 0.23 0.00 0.00 176.35 176.15 1j3g s GLU 118 N -0.22 3.21 0.26 1.70 2.12 0.50 -2.57 118.70 123.69 1j3g s GLU 118 Ca 0.13 -0.36 -0.20 0.00 0.36 0.00 0.00 54.97 54.90 1j3g s GLU 118 Cb -0.12 -2.91 0.06 0.00 0.26 0.00 0.00 34.13 31.42 1j3g s GLU 118 CO 0.02 0.64 0.92 0.20 -0.54 0.00 0.00 175.26 176.50 1j3g s GLY 119 N -0.69 0.17 -0.23 -1.50 0.00 -0.81 -1.17 107.32 103.08 1j3g s GLY 119 Ca 0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 44.72 44.33 1j3g s GLY 119 CO 0.02 1.00 0.44 -0.51 0.00 0.00 0.00 173.10 174.05 1j3g s THR 120 N -2.43 -0.70 -1.46 0.90 -4.23 -1.26 -4.27 115.64 102.20 1j3g s THR 120 Ca 0.18 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.64 1j3g s THR 120 Cb -0.04 -0.77 0.05 0.00 1.34 0.00 0.00 72.50 73.09 1j3g s THR 120 CO 0.07 0.00 1.05 -0.67 -0.54 0.00 0.00 174.62 174.53 1j3g n ASP 121 N 5.39 -5.55 -3.89 3.99 2.03 -1.26 -1.61 116.55 115.65 1j3g n ASP 121 Ca -0.07 -0.65 -0.31 0.00 0.52 0.00 0.00 54.79 54.29 1j3g n ASP 121 Cb 0.50 -4.40 -0.03 0.00 -0.72 0.00 0.00 41.12 36.46 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 -4.81 -0.65 -1.74 5.18 -2.24 -1.26 -4.91 114.28 103.85 1j3g n THR 122 Ca 0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 1j3g n THR 122 Cb 0.54 -1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 67.51 1j3g n THR 122 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1j3g n LEU 123 N -3.93 4.32 -0.81 3.22 7.94 -0.63 -4.67 117.00 122.45 1j3g n LEU 123 Ca 0.06 1.17 -0.11 0.00 -1.11 0.00 0.00 56.01 56.01 1j3g n LEU 123 Cb 0.49 -1.58 -0.02 0.00 0.53 0.00 0.00 43.42 42.84 1j3g n LEU 123 CO 0.70 0.06 0.28 0.00 -1.11 0.00 0.00 177.39 177.33 1j3g n ALA 124 N 1.55 -0.06 0.50 1.96 0.00 -1.26 -4.80 120.51 118.41 1j3g n ALA 124 Ca 0.07 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1j3g n ALA 124 Cb 0.37 -0.37 0.37 0.00 0.00 0.00 0.00 19.45 19.82 1j3g n ALA 124 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1j3g h TYR 125 N 1.40 0.00 -4.55 0.00 0.05 -1.83 -3.43 116.97 108.61 1j3g h TYR 125 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1j3g h TYR 125 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1j3g h TYR 125 CO 0.16 0.00 -0.25 0.25 -1.05 0.00 0.00 178.16 177.26 1j3g n THR 126 N -2.49 -7.93 -0.10 -2.88 -2.24 -1.25 -4.42 114.28 92.97 1j3g n THR 126 Ca 0.05 0.42 0.08 0.00 -2.27 0.00 0.00 64.05 62.32 1j3g n THR 126 Cb 0.43 -6.14 0.12 0.00 -2.10 0.00 0.00 70.33 62.65 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 -0.65 0.01 -0.38 3.42 9.92 -1.26 0.05 116.55 127.67 1j3g n ASP 127 Ca 0.06 0.19 0.29 0.00 -0.53 0.00 0.00 54.79 54.80 1j3g n ASP 127 Cb 0.36 -0.09 0.56 0.00 -0.64 0.00 0.00 41.12 41.31 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 0.20 2.40 0.53 2.24 0.00 -1.97 0.20 119.26 122.86 1j3g h ALA 128 Ca 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1j3g h ALA 128 Cb 0.55 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1j3g h ALA 128 CO -0.03 -0.94 -0.44 1.96 0.00 0.00 0.00 179.25 179.80 1j3g h GLN 129 N 0.24 -0.92 -0.70 0.00 4.20 -0.59 0.13 115.11 117.47 1j3g h GLN 129 Ca 0.72 0.06 0.12 0.00 0.06 0.00 0.00 58.65 59.61 1j3g h GLN 129 Cb 2.00 0.21 -0.08 0.00 0.30 0.00 0.00 27.48 29.91 1j3g h GLN 129 CO -0.41 -0.61 0.29 1.88 -0.67 0.00 0.00 178.83 179.30 1j3g h TYR 130 N -0.95 0.50 0.58 2.96 0.05 -1.19 0.26 116.97 119.17 1j3g h TYR 130 Ca -0.06 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1j3g h TYR 130 Cb 0.81 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 38.45 1j3g h TYR 130 CO -0.19 0.10 -0.28 1.96 -1.05 0.00 0.00 178.16 178.71 1j3g h GLN 131 N 0.46 -0.74 -0.26 4.88 4.20 -1.06 -0.09 115.11 122.50 1j3g h GLN 131 Ca 0.37 0.05 -0.08 0.00 0.06 0.00 0.00 58.65 59.05 1j3g h GLN 131 Cb 0.50 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1j3g h GLN 131 CO -0.35 -0.44 -0.18 1.96 -0.67 0.00 0.00 178.83 179.15 1j3g h GLN 132 N -1.08 0.47 -0.51 1.46 1.08 -0.89 -1.51 115.11 114.13 1j3g h GLN 132 Ca -0.08 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1j3g h GLN 132 Cb 0.65 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1j3g h GLN 132 CO 0.13 0.64 0.30 1.25 -0.95 0.00 0.00 178.83 180.19 1j3g h LEU 133 N 0.43 0.62 -1.24 1.46 5.85 -0.51 -0.27 115.31 121.65 1j3g h LEU 133 Ca 0.07 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1j3g h LEU 133 Cb 0.57 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1j3g h LEU 133 CO 0.04 0.51 0.48 0.00 -0.34 0.00 0.00 178.44 179.13 1j3g h ALA 134 N 1.14 1.45 0.55 1.25 0.00 -0.62 0.13 119.26 123.15 1j3g h ALA 134 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1j3g h ALA 134 Cb 0.01 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.50 1j3g h ALA 134 CO -0.03 0.51 -0.26 0.00 0.00 0.00 0.00 179.25 179.46 1j3g h ALA 135 N 1.52 -0.73 -0.34 0.00 0.00 -0.24 0.11 119.26 119.56 1j3g h ALA 135 Ca 0.27 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1j3g h ALA 135 Cb -0.10 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1j3g h ALA 135 CO -0.06 -0.91 -0.01 0.28 0.00 0.00 0.00 179.25 178.55 1j3g h VAL 136 N -0.73 0.73 0.28 0.00 2.07 -0.77 -0.14 116.25 117.69 1j3g h VAL 136 Ca -0.07 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1j3g h VAL 136 Cb 0.56 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1j3g h VAL 136 CO 0.12 0.01 -0.21 0.74 0.02 0.00 0.00 177.57 178.26 1j3g h THR 137 N 0.08 0.56 -0.71 2.57 2.02 -0.58 0.13 112.91 116.98 1j3g h THR 137 Ca 0.17 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.42 1j3g h THR 137 Cb 0.23 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 1j3g h THR 137 CO -0.29 0.00 0.39 0.78 0.37 0.00 0.00 175.52 176.77 1j3g h ASN 138 N -0.49 0.56 -0.02 4.18 2.35 -0.55 -0.98 115.58 120.63 1j3g h ASN 138 Ca -0.02 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1j3g h ASN 138 Cb 0.42 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1j3g h ASN 138 CO 0.00 0.35 -0.00 0.00 -1.65 0.00 0.00 177.43 176.13 1j3g h ALA 139 N 1.38 0.03 -0.65 -0.83 0.00 -0.64 -2.90 119.26 115.66 1j3g h ALA 139 Ca 0.33 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1j3g h ALA 139 Cb 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1j3g h ALA 139 CO -0.21 -0.28 0.43 -0.07 0.00 0.00 0.00 179.25 179.12 1j3g h LEU 140 N -0.32 0.46 -0.61 0.00 -0.00 -0.50 -1.74 115.31 112.60 1j3g h LEU 140 Ca 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1j3g h LEU 140 Cb 0.38 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 1j3g h LEU 140 CO 0.00 0.28 0.35 0.40 -0.00 0.00 0.00 178.44 179.48 1j3g h ILE 141 N 0.52 1.19 0.00 1.22 2.04 -1.05 0.16 117.51 121.59 1j3g h ILE 141 Ca 0.30 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1j3g h ILE 141 Cb 0.47 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1j3g h ILE 141 CO -0.09 0.20 -0.07 0.74 0.00 0.00 0.00 178.15 178.93 1j3g h THR 142 N 0.83 0.36 0.00 -0.27 2.02 -1.13 -2.95 112.91 111.77 1j3g h THR 142 Ca 0.22 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1j3g h THR 142 Cb 0.01 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1j3g h THR 142 CO -0.04 0.07 -0.23 0.03 0.37 0.00 0.00 175.52 175.72 1j3g h ARG 143 N 0.00 0.00 -4.34 6.66 2.47 -0.83 -3.46 114.38 114.89 1j3g h ARG 143 Ca -0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 1j3g h ARG 143 Cb 0.27 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.22 1j3g h ARG 143 CO 0.01 0.15 -0.80 0.71 0.56 0.00 0.00 179.97 180.60 1j3g s TYR 144 N -1.87 2.13 -0.48 3.04 2.02 0.47 -5.11 117.35 117.55 1j3g s TYR 144 Ca -0.08 -1.46 -0.21 0.00 -0.37 0.00 0.00 57.07 54.95 1j3g s TYR 144 Cb 0.01 -1.50 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1j3g s TYR 144 CO 0.16 -0.71 0.69 -1.25 -1.57 0.00 0.00 175.55 172.88 1j3g s PRO 145 N 1.49 3.24 0.07 -1.71 0.04 -1.12 -4.13 135.00 132.87 1j3g s PRO 145 Ca -0.02 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.50 1j3g s PRO 145 Cb -0.17 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1j3g s PRO 145 CO -0.07 -1.17 0.00 0.00 0.04 0.00 0.00 177.00 175.80 1j3g n ALA 146 N 6.46 1.17 -0.42 8.56 0.00 -1.26 -4.94 120.51 130.06 1j3g n ALA 146 Ca -0.03 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.77 1j3g n ALA 146 Cb 0.47 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.59 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 0.28 -0.27 0.00 2.04 -1.77 -0.07 117.51 117.72 1j3g h ILE 147 Ca 0.00 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1j3g h ILE 147 Cb 0.00 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1j3g h ILE 147 CO 0.00 0.02 0.46 0.00 0.00 0.00 0.00 178.15 178.63 1j3g h ALA 148 N 1.45 1.87 -0.03 1.87 0.00 -1.92 -1.31 119.26 121.19 1j3g h ALA 148 Ca 0.71 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.43 1j3g h ALA 148 Cb 2.42 0.02 -0.38 0.00 0.00 0.00 0.00 17.79 19.85 1j3g h ALA 148 CO -0.21 -0.60 -1.03 0.09 0.00 0.00 0.00 179.25 177.51 1j3g n ASN 149 N -3.34 0.99 -3.40 0.00 3.02 -0.06 -4.57 115.26 107.90 1j3g n ASN 149 Ca 0.04 -2.00 -0.27 0.00 -0.03 0.00 0.00 54.58 52.32 1j3g n ASN 149 Cb 0.59 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 1j3g n ASN 149 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1j3g s ASN 150 N -2.11 1.86 -0.12 6.41 -0.87 -0.49 -5.02 114.94 114.59 1j3g s ASN 150 Ca 0.33 -2.69 -0.02 0.00 -1.57 0.00 0.00 52.86 48.92 1j3g s ASN 150 Cb 0.38 -0.33 0.04 0.00 -0.02 0.00 0.00 41.25 41.31 1j3g s ASN 150 CO -0.16 -0.22 -0.01 -0.04 -2.57 0.00 0.00 177.10 174.11 1j3g s MET 151 N 0.47 0.86 0.12 -0.60 -1.94 -1.26 -1.76 119.30 115.19 1j3g s MET 151 Ca 0.27 -0.17 -0.02 0.00 -1.71 0.00 0.00 55.69 54.07 1j3g s MET 151 Cb -0.06 -1.51 0.01 0.00 2.01 0.00 0.00 34.83 35.28 1j3g s MET 151 CO -0.12 -0.41 0.19 -2.37 -0.01 0.00 0.00 175.02 172.30 1j3g n THR 152 N 5.06 0.00 0.00 2.05 5.66 -0.71 -5.00 114.28 121.34 1j3g n THR 152 Ca -0.09 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 1j3g n THR 152 Cb 0.49 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.62 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 -0.19 4.53 0.01 1.09 0.00 -1.26 -0.06 105.19 109.31 1j3g n GLY 153 Ca -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 0.70 1.61 -0.00 0.18 -4.49 115.22 113.22 1j3g n HIS 154 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.80 1j3g n HIS 154 Cb 0.00 -0.22 -0.10 0.00 -0.00 0.00 0.00 29.99 29.67 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 -1.49 5.09 0.06 0.00 5.15 -0.94 -4.26 115.26 118.87 1j3g n ASN 156 Ca 0.02 -2.74 0.08 0.00 -0.60 0.00 0.00 54.58 51.34 1j3g n ASN 156 Cb 0.29 -0.91 0.36 0.00 -0.53 0.00 0.00 39.78 38.99 1j3g n ASN 156 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1j3g n ILE 157 N 0.44 1.07 0.08 -1.44 -0.00 -1.26 -4.55 119.36 113.69 1j3g n ILE 157 Ca 0.20 0.32 0.00 0.00 -0.00 0.00 0.00 62.75 63.27 1j3g n ILE 157 Cb 0.67 -1.19 0.00 0.00 -0.00 0.00 0.00 39.64 39.13 1j3g n ILE 157 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1j3g n ALA 158 N -1.62 1.79 -2.70 -1.28 0.00 -1.26 -4.60 120.51 110.84 1j3g n ALA 158 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 1j3g n ALA 158 Cb 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.40 4.27 0.58 0.00 0.04 -1.26 -4.97 135.00 132.26 1j3g s PRO 159 Ca 0.00 0.37 0.27 0.00 0.04 0.00 0.00 61.00 61.68 1j3g s PRO 159 Cb 0.00 -3.48 1.70 0.00 0.04 0.00 0.00 34.50 32.75 1j3g s PRO 159 CO 0.00 0.06 2.21 1.49 0.04 0.00 0.00 177.00 180.80 1j3g h GLU 160 N 6.99 0.00 0.00 4.56 4.81 -1.91 -2.78 114.58 126.25 1j3g h GLU 160 Ca -0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1j3g h GLU 160 Cb 1.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1j3g h GLU 160 CO 0.75 0.00 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.91 1j3g h ARG 161 N 0.00 0.00 -5.49 1.92 9.65 -1.95 -3.39 114.38 115.11 1j3g h ARG 161 Ca 0.02 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.36 1j3g h ARG 161 Cb 0.08 0.00 -0.30 0.00 -1.39 0.00 0.00 29.97 28.37 1j3g h ARG 161 CO -0.00 0.03 -0.83 0.15 2.80 0.00 0.00 179.97 182.12 1j3g s LYS 162 N -4.12 1.43 0.00 0.20 3.01 -1.05 -5.03 119.74 114.17 1j3g s LYS 162 Ca -0.03 -0.59 0.00 0.00 -1.01 0.00 0.00 55.97 54.34 1j3g s LYS 162 Cb 0.12 -1.34 0.00 0.00 -1.01 0.00 0.00 37.83 35.60 1j3g s LYS 162 CO 0.49 0.33 0.00 2.41 0.51 0.00 0.00 175.35 179.09 1j3g n THR 163 N 2.78 0.00 -3.99 2.17 -1.04 -1.26 -2.22 114.28 110.72 1j3g n THR 163 Ca -0.15 -0.06 0.02 0.00 -2.04 0.00 0.00 64.05 61.81 1j3g n THR 163 Cb 0.54 0.46 0.01 0.00 -1.82 0.00 0.00 70.33 69.53 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 -0.51 -1.17 -2.30 8.00 2.03 -1.26 -0.64 116.55 120.69 1j3g n ASP 164 Ca 0.00 -1.30 -0.17 0.00 0.52 0.00 0.00 54.79 53.84 1j3g n ASP 164 Cb 0.00 1.83 -0.13 0.00 -0.72 0.00 0.00 41.12 42.10 1j3g n ASP 164 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1j3g n PRO 165 N -0.84 2.30 0.00 -0.67 -0.04 -1.26 -4.17 135.00 130.32 1j3g n PRO 165 Ca 0.04 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1j3g n PRO 165 Cb 0.54 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1j3g n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3g n GLY 166 N 2.76 0.32 0.06 0.55 0.00 -1.26 -5.11 105.19 102.51 1j3g n GLY 166 Ca 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1j3g n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j3g h PRO 167 N 0.00 -0.08 -6.16 1.61 0.13 -1.93 -3.41 132.00 122.15 1j3g h PRO 167 Ca 0.00 0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 1j3g h PRO 167 Cb 0.00 0.02 0.02 0.00 0.13 0.00 0.00 31.00 31.17 1j3g h PRO 167 CO 0.00 -0.06 -0.77 0.45 -0.23 0.00 0.00 178.00 177.39 1j3g n SER 168 N -3.94 -3.65 -1.40 1.44 2.88 -1.26 -4.77 113.62 102.93 1j3g n SER 168 Ca -0.01 -0.76 0.06 0.00 -1.33 0.00 0.00 58.87 56.82 1j3g n SER 168 Cb 0.03 -4.11 0.28 0.00 -0.75 0.00 0.00 64.21 59.66 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 -4.57 1.34 -3.63 0.66 7.35 -1.26 -4.97 117.46 112.39 1j3g n PHE 169 Ca -0.09 -0.48 -0.22 0.00 -0.76 0.00 0.00 57.45 55.89 1j3g n PHE 169 Cb 0.59 -0.33 0.01 0.00 0.35 0.00 0.00 39.48 40.10 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 0.55 -5.43 -0.08 -2.13 -0.08 -1.26 -4.59 116.55 103.52 1j3g n ASP 170 Ca 0.19 -0.70 0.17 0.00 -1.51 0.00 0.00 54.79 52.94 1j3g n ASP 170 Cb 0.84 -2.29 0.59 0.00 2.34 0.00 0.00 41.12 42.60 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 0.17 0.26 -0.06 -0.67 -0.00 -1.98 -0.45 115.95 113.22 1j3g h TRP 171 Ca -0.52 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.37 1j3g h TRP 171 Cb 1.33 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 30.41 1j3g h TRP 171 CO 0.19 0.11 0.01 0.00 -0.00 0.00 0.00 178.44 178.75 1j3g h ALA 172 N 1.69 0.08 0.56 1.49 0.00 -1.99 -0.38 119.26 120.72 1j3g h ALA 172 Ca 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1j3g h ALA 172 Cb 0.88 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1j3g h ALA 172 CO -0.06 -0.27 -0.27 0.00 0.00 0.00 0.00 179.25 178.65 1j3g h ARG 173 N -0.14 -0.72 0.12 0.00 3.08 -1.61 -3.09 114.38 112.02 1j3g h ARG 173 Ca 0.02 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1j3g h ARG 173 Cb 0.28 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1j3g h ARG 173 CO 0.00 -0.45 -0.06 0.35 -1.07 0.00 0.00 179.97 178.74 1j3g h PHE 174 N -0.83 -0.17 -0.92 3.04 3.57 -1.14 -0.93 116.94 119.56 1j3g h PHE 174 Ca -0.08 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.43 1j3g h PHE 174 Cb 0.61 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 1j3g h PHE 174 CO -0.02 -0.10 0.61 -0.09 -2.23 0.00 0.00 178.31 176.47 1j3g h ARG 175 N -0.17 1.21 -0.23 1.11 1.12 -1.18 -2.06 114.38 114.18 1j3g h ARG 175 Ca -0.01 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.75 1j3g h ARG 175 Cb 0.14 -0.27 -0.01 0.00 -0.01 0.00 0.00 29.97 29.82 1j3g h ARG 175 CO 0.02 0.80 0.02 0.00 -3.11 0.00 0.00 179.97 177.70 1j3g h ALA 176 N 1.42 0.31 -0.38 2.80 0.00 -1.44 -3.37 119.26 118.61 1j3g h ALA 176 Ca 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1j3g h ALA 176 Cb -0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1j3g h ALA 176 CO -0.07 0.02 0.16 -0.07 0.00 0.00 0.00 179.25 179.28 1j3g h LEU 177 N 0.18 0.52-10.30 0.00 3.38 -0.51 -3.43 115.31 105.15 1j3g h LEU 177 Ca 0.07 -0.16 -0.52 0.00 0.09 0.00 0.00 57.88 57.36 1j3g h LEU 177 Cb 0.37 -0.13 0.16 0.00 0.09 0.00 0.00 40.66 41.14 1j3g h LEU 177 CO 0.01 0.54 0.28 -0.69 0.09 0.00 0.00 178.44 178.67 1j3g s VAL 178 N -5.57 2.84 -0.43 1.22 1.01 -0.85 -4.89 120.40 113.73 1j3g s VAL 178 Ca -0.13 0.27 -0.42 0.00 0.00 0.00 0.00 61.98 61.70 1j3g s VAL 178 Cb 0.10 -2.59 -0.17 0.00 0.00 0.00 0.00 36.38 33.72 1j3g s VAL 178 CO 0.75 -0.36 1.96 0.41 0.00 0.00 0.00 175.10 177.86 1j3g n THR 179 N -3.80 0.09 -0.53 3.92 -1.04 -1.26 -4.78 114.28 106.88 1j3g n THR 179 Ca 0.10 -0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 62.04 1j3g n THR 179 Cb 0.53 -0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 68.16 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 6.50 1.06 -3.05 -2.82 -0.04 -1.26 -4.67 135.00 130.72 1j3g n PRO 180 Ca 0.42 -0.10 -0.19 0.00 -0.04 0.00 0.00 63.50 63.59 1j3g n PRO 180 Cb 0.04 -1.12 -0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.62 -3.79 -1.88 3.54 2.88 -1.26 -4.79 113.62 109.94 1j3g n SER 181 Ca 0.04 -0.19 -0.03 0.00 -1.33 0.00 0.00 58.87 57.36 1j3g n SER 181 Cb 0.52 -3.16 0.03 0.00 -0.75 0.00 0.00 64.21 60.85 1j3g n SER 181 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1j3g n SER 182 N -2.14 -0.68 -2.87 -3.46 2.88 -1.26 -5.01 113.62 101.07 1j3g n SER 182 Ca -0.06 -2.08 -0.06 0.00 -1.33 0.00 0.00 58.87 55.34 1j3g n SER 182 Cb 0.56 0.30 -0.00 0.00 -0.75 0.00 0.00 64.21 64.32 1j3g n SER 182 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1j3g s HIS 183 N -0.35 -1.39 -0.25 0.66 5.04 -1.26 -5.12 115.29 112.62 1j3g s HIS 183 Ca 0.10 -0.63 -0.12 0.00 -1.54 0.00 0.00 55.06 52.87 1j3g s HIS 183 Cb 0.25 0.21 0.09 0.00 0.04 0.00 0.00 32.58 33.16 1j3g s HIS 183 CO -0.07 -1.23 0.58 0.21 -2.34 0.00 0.00 174.74 171.89 1j3g s LYS 184 N 0.92 0.55 0.19 2.88 2.47 -1.26 -4.90 119.74 120.60 1j3g s LYS 184 Ca 0.28 1.15 -0.01 0.00 -1.56 0.00 0.00 55.97 55.83 1j3g s LYS 184 Cb -0.00 0.29 -0.04 0.00 -1.46 0.00 0.00 37.83 36.61 1j3g s LYS 184 CO -0.06 -0.18 0.39 -1.83 0.16 0.00 0.00 175.35 173.83 1j3g s GLU 185 N 2.00 3.53 -0.78 4.03 -1.05 -1.26 -5.06 118.70 120.12 1j3g s GLU 185 Ca -0.08 -0.30 0.03 0.00 -0.15 0.00 0.00 54.97 54.47 1j3g s GLU 185 Cb -0.08 -2.84 0.23 0.00 -0.44 0.00 0.00 34.13 31.00 1j3g s GLU 185 CO -0.17 0.41 0.77 -0.12 0.95 0.00 0.00 175.26 177.09 1j3g n MET 186 N -0.55 2.58 0.00 -4.83 1.56 -1.26 -5.17 117.12 109.46 1j3g n MET 186 Ca -0.04 -4.56 0.00 0.00 -0.27 0.00 0.00 57.70 52.82 1j3g n MET 186 Cb 0.53 -2.34 0.00 0.00 2.15 0.00 0.00 33.22 33.57 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65