#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 4.30 -3.90 -0.89 7.94 -1.26 -4.93 117.00 118.26 1j3g n LEU 2 Ca 0.00 0.67 -0.19 0.00 -1.11 0.00 0.00 56.01 55.38 1j3g n LEU 2 Cb 0.00 -1.47 -0.16 0.00 0.53 0.00 0.00 43.42 42.32 1j3g n LEU 2 CO 0.00 -1.73 -0.41 -0.76 -1.11 0.00 0.00 177.39 173.39 1j3g s LEU 3 N -4.17 1.42 -0.06 -1.96 1.02 -1.26 -1.79 118.68 111.88 1j3g s LEU 3 Ca 0.75 -0.12 0.04 0.00 0.02 0.00 0.00 54.13 54.83 1j3g s LEU 3 Cb -0.33 -0.41 -0.02 0.00 0.02 0.00 0.00 46.19 45.45 1j3g s LEU 3 CO 0.48 -0.04 -0.18 -0.62 0.02 0.00 0.00 176.35 176.02 1j3g s ASP 4 N 0.76 3.69 -1.26 2.29 2.15 -0.07 -4.59 116.67 119.64 1j3g s ASP 4 Ca -0.10 -0.32 -0.04 0.00 0.43 0.00 0.00 52.55 52.52 1j3g s ASP 4 Cb -0.13 -0.87 0.03 0.00 -0.30 0.00 0.00 42.92 41.65 1j3g s ASP 4 CO 0.00 0.30 0.29 -0.62 -0.17 0.00 0.00 175.17 174.97 1j3g n GLU 5 N 2.62 -3.10 -0.79 4.34 1.02 -1.26 -1.36 120.64 122.11 1j3g n GLU 5 Ca -0.17 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1j3g n GLU 5 Cb 0.52 -5.31 0.00 0.00 -0.02 0.00 0.00 31.44 26.63 1j3g n GLU 5 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3g n GLY 6 N -1.08 0.46 3.78 0.62 0.00 -1.26 -5.00 105.19 102.71 1j3g n GLY 6 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.34 3.02 0.37 1.61 0.52 -0.46 -5.04 118.94 116.62 1j3g s TRP 7 Ca 0.00 -0.13 -0.27 0.00 0.02 0.00 0.00 56.10 55.71 1j3g s TRP 7 Cb 0.00 -1.36 -0.10 0.00 -1.15 0.00 0.00 33.47 30.86 1j3g s TRP 7 CO 0.00 0.54 1.34 -1.17 0.02 0.00 0.00 176.95 177.69 1j3g s LEU 8 N -3.77 4.31 0.75 2.99 0.20 -1.26 -0.89 118.68 121.01 1j3g s LEU 8 Ca 0.32 2.75 -0.13 0.00 0.69 0.00 0.00 54.13 57.76 1j3g s LEU 8 Cb -0.08 -3.76 0.05 0.00 -0.43 0.00 0.00 46.19 41.97 1j3g s LEU 8 CO 0.24 -0.75 1.15 0.00 -0.29 0.00 0.00 176.35 176.70 1j3g s ALA 9 N -1.19 2.14 -1.20 5.97 0.00 -0.74 -3.83 121.76 122.91 1j3g s ALA 9 Ca 0.53 0.61 -0.27 0.00 0.00 0.00 0.00 51.96 52.83 1j3g s ALA 9 Cb -0.40 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.37 1j3g s ALA 9 CO 0.53 -1.83 0.51 0.39 0.00 0.00 0.00 175.76 175.37 1j3g n GLU 10 N -3.05 -0.37 -3.72 0.00 4.71 -1.26 -4.96 120.64 111.99 1j3g n GLU 10 Ca 0.11 0.03 -0.14 0.00 -0.01 0.00 0.00 57.16 57.15 1j3g n GLU 10 Cb 0.52 -2.43 -0.09 0.00 -1.01 0.00 0.00 31.44 28.43 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 -3.75 -1.04 -0.15 0.62 0.00 -1.25 -4.51 121.76 111.68 1j3g s ALA 11 Ca 0.38 0.96 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 1j3g s ALA 11 Cb -0.21 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1j3g s ALA 11 CO 0.92 -0.23 0.92 0.50 0.00 0.00 0.00 175.76 177.86 1j3g s ARG 12 N -0.36 4.35 -0.26 0.00 6.06 -0.02 -4.92 118.95 123.80 1j3g s ARG 12 Ca -0.05 1.19 -0.26 0.00 -2.50 0.00 0.00 55.73 54.11 1j3g s ARG 12 Cb -0.03 -3.56 0.00 0.00 0.06 0.00 0.00 34.95 31.41 1j3g s ARG 12 CO 0.03 -0.34 0.90 -0.98 -2.50 0.00 0.00 175.30 172.40 1j3g s ARG 13 N 2.14 4.16 -0.41 5.12 1.70 -1.26 -0.31 118.95 130.09 1j3g s ARG 13 Ca 0.43 1.00 0.06 0.00 -0.47 0.00 0.00 55.73 56.75 1j3g s ARG 13 Cb -0.17 -3.66 0.21 0.00 -0.57 0.00 0.00 34.95 30.75 1j3g s ARG 13 CO 0.14 -0.61 0.47 0.28 -1.08 0.00 0.00 175.30 174.50 1j3g n VAL 14 N 5.37 -0.88 -2.24 4.99 0.31 -0.07 -4.93 118.33 120.88 1j3g n VAL 14 Ca 0.07 -3.43 -0.42 0.00 -0.01 0.00 0.00 64.34 60.55 1j3g n VAL 14 Cb 0.47 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 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 -0.38 4.27 0.46 5.55 0.04 -1.25 -3.95 135.00 139.74 1j3g s PRO 15 Ca 0.34 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 63.08 1j3g s PRO 15 Cb 0.10 -3.66 -0.10 0.00 0.04 0.00 0.00 34.50 30.87 1j3g s PRO 15 CO -0.16 -0.63 0.74 0.45 0.04 0.00 0.00 177.00 177.45 1j3g n SER 16 N 5.82 -0.02 -0.03 6.66 2.88 -1.26 -4.90 113.62 122.77 1j3g n SER 16 Ca 0.14 0.91 -0.11 0.00 -1.33 0.00 0.00 58.87 58.48 1j3g n SER 16 Cb 0.44 -1.23 0.03 0.00 -0.75 0.00 0.00 64.21 62.70 1j3g n SER 16 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1j3g h PRO 17 N 0.93 0.68 -2.70 -1.46 0.13 -1.94 -3.45 132.00 124.18 1j3g h PRO 17 Ca -0.43 -0.40 -0.12 0.00 -0.87 0.00 0.00 66.00 64.18 1j3g h PRO 17 Cb 1.37 0.04 -0.25 0.00 0.13 0.00 0.00 31.00 32.29 1j3g h PRO 17 CO 0.52 1.02 -0.26 -1.58 -0.23 0.00 0.00 178.00 177.47 1j3g s HIS 18 N -4.12 -0.52 0.05 1.56 5.65 -1.26 -5.18 115.29 111.48 1j3g s HIS 18 Ca -0.09 1.18 0.01 0.00 0.25 0.00 0.00 55.06 56.42 1j3g s HIS 18 Cb 0.11 0.20 0.01 0.00 -1.18 0.00 0.00 32.58 31.72 1j3g s HIS 18 CO 0.85 -0.27 0.06 0.66 -0.65 0.00 0.00 174.74 175.39 1j3g n TYR 19 N 3.47 -2.28 -4.58 3.88 4.01 -1.26 -4.51 117.16 115.88 1j3g n TYR 19 Ca -0.18 -0.20 -0.28 0.00 -0.16 0.00 0.00 57.90 57.08 1j3g n TYR 19 Cb 0.56 -0.05 -0.08 0.00 -0.31 0.00 0.00 39.34 39.47 1j3g n TYR 19 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1j3g s ASP 20 N -1.31 3.18 0.03 7.72 1.11 -1.26 -4.96 116.67 121.18 1j3g s ASP 20 Ca 0.04 -1.70 -0.02 0.00 0.18 0.00 0.00 52.55 51.05 1j3g s ASP 20 Cb -0.00 0.57 -0.02 0.00 1.07 0.00 0.00 42.92 44.53 1j3g s ASP 20 CO 0.03 -0.95 0.00 0.00 1.18 0.00 0.00 175.17 175.43 1j3g s ARG 22 N -2.42 1.00 -0.36 0.00 1.81 -1.26 -5.05 118.95 112.67 1j3g s ARG 22 Ca -0.07 -1.31 -0.05 0.00 -1.72 0.00 0.00 55.73 52.58 1j3g s ARG 22 Cb -0.03 -0.70 -0.09 0.00 -0.45 0.00 0.00 34.95 33.68 1j3g s ARG 22 CO -0.04 0.11 3.15 -0.35 -0.68 0.00 0.00 175.30 177.48 1j3g n PRO 23 N 0.24 2.41 -3.79 3.54 -0.04 -1.26 -4.81 135.00 131.29 1j3g n PRO 23 Ca -0.13 -1.80 -0.12 0.00 -0.04 0.00 0.00 63.50 61.41 1j3g n PRO 23 Cb 0.59 -2.14 -0.08 0.00 -0.04 0.00 0.00 33.50 31.83 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 1.19 -0.08 -0.26 3.54 1.01 -1.26 -5.15 116.67 115.65 1j3g s ASP 24 Ca 0.63 -0.19 -0.02 0.00 0.71 0.00 0.00 52.55 53.68 1j3g s ASP 24 Cb 0.33 0.32 0.12 0.00 1.01 0.00 0.00 42.92 44.70 1j3g s ASP 24 CO -0.11 -0.55 0.25 -1.81 0.21 0.00 0.00 175.17 173.16 1j3g s ASP 25 N -1.89 1.81 0.15 0.27 1.01 -1.26 -5.10 116.67 111.66 1j3g s ASP 25 Ca -0.07 -0.65 0.01 0.00 0.71 0.00 0.00 52.55 52.55 1j3g s ASP 25 Cb -0.02 0.37 -0.04 0.00 1.01 0.00 0.00 42.92 44.24 1j3g s ASP 25 CO -0.02 -0.38 0.02 -0.70 0.21 0.00 0.00 175.17 174.31 1j3g s GLU 26 N 2.32 1.02 0.08 8.23 2.12 -1.26 -5.12 118.70 126.09 1j3g s GLU 26 Ca 0.09 -1.49 -0.31 0.00 0.36 0.00 0.00 54.97 53.62 1j3g s GLU 26 Cb -0.15 -0.05 -0.09 0.00 0.26 0.00 0.00 34.13 34.10 1j3g s GLU 26 CO -0.27 -0.18 1.80 1.21 -0.54 0.00 0.00 175.26 177.28 1j3g s ASN 27 N -3.12 6.49 -0.64 -1.70 3.84 -1.26 -4.94 114.94 113.61 1j3g s ASN 27 Ca 0.23 2.64 -0.27 0.00 0.21 0.00 0.00 52.86 55.68 1j3g s ASN 27 Cb 0.07 -2.56 0.03 0.00 -0.55 0.00 0.00 41.25 38.24 1j3g s ASN 27 CO 0.03 -0.98 1.18 -2.16 -2.79 0.00 0.00 177.10 172.38 1j3g s PRO 28 N 3.15 3.35 -0.44 0.43 0.04 -1.26 -4.79 135.00 135.48 1j3g s PRO 28 Ca 0.80 -0.06 0.04 0.00 0.04 0.00 0.00 61.00 61.82 1j3g s PRO 28 Cb -0.43 -4.09 0.27 0.00 0.04 0.00 0.00 34.50 30.28 1j3g s PRO 28 CO 0.36 -1.84 1.04 0.45 0.04 0.00 0.00 177.00 177.06 1j3g n SER 29 N 8.62 -2.33 -3.76 6.66 2.88 -1.26 -4.40 113.62 120.03 1j3g n SER 29 Ca 0.05 -2.92 -0.15 0.00 -1.33 0.00 0.00 58.87 54.52 1j3g n SER 29 Cb 0.49 1.55 -0.15 0.00 -0.75 0.00 0.00 64.21 65.34 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 -0.85 0.89 -0.17 2.46 2.96 -1.26 -3.99 118.68 118.73 1j3g s LEU 30 Ca 0.28 0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 54.19 1j3g s LEU 30 Cb 0.24 0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.98 1j3g s LEU 30 CO -0.18 -0.14 0.34 -0.22 -1.32 0.00 0.00 176.35 174.84 1j3g s LEU 31 N 1.16 4.22 -0.09 -0.68 2.96 -1.13 -3.30 118.68 121.83 1j3g s LEU 31 Ca -0.09 0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1j3g s LEU 31 Cb -0.12 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1j3g s LEU 31 CO -0.04 0.04 0.02 -0.69 -1.32 0.00 0.00 176.35 174.35 1j3g s VAL 32 N 0.73 4.44 -0.14 1.68 1.01 -1.21 -2.12 120.40 124.81 1j3g s VAL 32 Ca 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1j3g s VAL 32 Cb -0.14 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.41 1j3g s VAL 32 CO 0.06 0.60 0.04 -0.69 0.00 0.00 0.00 175.10 175.11 1j3g s VAL 33 N -0.91 0.31 -0.29 2.92 1.01 0.81 -4.04 120.40 120.22 1j3g s VAL 33 Ca 0.14 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1j3g s VAL 33 Cb -0.11 -0.71 0.14 0.00 0.00 0.00 0.00 36.38 35.70 1j3g s VAL 33 CO 0.03 -0.03 1.02 -1.38 0.00 0.00 0.00 175.10 174.74 1j3g s HIS 34 N 1.97 -0.50 -0.28 5.22 -3.43 -1.26 -4.01 115.29 112.99 1j3g s HIS 34 Ca 0.02 1.07 -0.29 0.00 -0.80 0.00 0.00 55.06 55.06 1j3g s HIS 34 Cb -0.15 0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 31.34 1j3g s HIS 34 CO -0.07 -0.25 1.53 1.21 -2.00 0.00 0.00 174.74 175.16 1j3g s ASN 35 N 0.92 6.39 0.43 7.38 2.47 -1.26 -3.23 114.94 128.04 1j3g s ASN 35 Ca -0.04 1.36 0.03 0.00 0.42 0.00 0.00 52.86 54.62 1j3g s ASN 35 Cb -0.04 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.20 1j3g s ASN 35 CO -0.12 -1.30 0.08 -0.63 -3.72 0.00 0.00 177.10 171.41 1j3g s ILE 36 N 5.24 0.88 -0.24 -5.21 -1.09 -0.73 -4.89 121.20 115.15 1j3g s ILE 36 Ca 0.67 -2.00 -0.09 0.00 -2.23 0.00 0.00 60.65 57.00 1j3g s ILE 36 Cb -0.21 -2.36 0.10 0.00 -1.58 0.00 0.00 42.46 38.41 1j3g s ILE 36 CO 0.29 0.00 0.52 -0.55 -1.23 0.00 0.00 174.94 173.97 1j3g s SER 37 N -3.68 -0.65 0.27 3.58 0.15 -1.26 -1.23 113.70 110.88 1j3g s SER 37 Ca 0.20 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1j3g s SER 37 Cb 0.03 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 1j3g s SER 37 CO 0.11 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.22 1j3g n LEU 38 N 5.22 -0.43 -4.86 3.45 -0.00 -1.26 -5.08 117.00 114.04 1j3g n LEU 38 Ca -0.12 0.46 -0.31 0.00 -0.00 0.00 0.00 56.01 56.04 1j3g n LEU 38 Cb 0.51 0.60 -0.01 0.00 -0.00 0.00 0.00 43.42 44.52 1j3g n LEU 38 CO -0.01 -0.69 0.70 -2.16 -0.00 0.00 0.00 177.39 175.24 1j3g s PRO 39 N -1.86 3.71 0.00 1.96 0.04 -1.26 -4.77 135.00 132.82 1j3g s PRO 39 Ca 0.00 0.84 0.31 0.00 0.04 0.00 0.00 61.00 62.19 1j3g s PRO 39 Cb 0.00 -2.10 1.81 0.00 0.04 0.00 0.00 34.50 34.26 1j3g s PRO 39 CO 0.00 -0.47 2.15 -0.35 0.04 0.00 0.00 177.00 178.37 1j3g n PRO 40 N -2.30 0.94 0.00 0.56 -0.04 -1.26 -4.68 135.00 128.21 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 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.93 0.00 3.41 0.55 0.00 -1.26 -4.10 105.19 104.72 1j3g n GLY 41 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.64 0.45 -0.01 1.61 2.02 -1.26 -5.17 118.70 114.70 1j3g s GLU 42 Ca 0.00 1.13 -0.29 0.00 0.02 0.00 0.00 54.97 55.83 1j3g s GLU 42 Cb 0.00 0.39 0.11 0.00 0.10 0.00 0.00 34.13 34.72 1j3g s GLU 42 CO 0.00 -0.21 1.27 -0.06 0.02 0.00 0.00 175.26 176.29 1j3g s PHE 43 N 2.36 -0.00 -0.77 1.61 0.08 -1.26 -5.06 117.98 114.93 1j3g s PHE 43 Ca -0.05 -0.13 0.08 0.00 0.12 0.00 0.00 56.93 56.95 1j3g s PHE 43 Cb -0.11 0.56 0.17 0.00 -0.57 0.00 0.00 43.02 43.08 1j3g s PHE 43 CO -0.15 -0.31 1.05 0.41 -0.10 0.00 0.00 175.22 176.13 1j3g n GLY 44 N -0.71 1.77 3.56 4.36 0.00 -1.26 -5.00 105.19 107.91 1j3g n GLY 44 Ca -0.02 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.90 1.93 0.15 -0.02 0.00 -1.26 -4.99 107.32 102.24 1j3g s GLY 45 Ca 0.14 -1.19 0.24 0.00 0.00 0.00 0.00 44.72 43.91 1j3g s GLY 45 CO 0.11 0.68 1.72 -1.55 0.00 0.00 0.00 173.10 174.07 1j3g n PRO 46 N 5.07 0.15 -0.10 2.90 -0.04 -1.26 -3.13 135.00 138.59 1j3g n PRO 46 Ca -0.14 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1j3g n PRO 46 Cb 0.51 -1.72 0.28 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.74 -0.22 0.54 2.91 -1.99 0.32 115.95 118.24 1j3g h TRP 47 Ca 0.00 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.97 1j3g h TRP 47 Cb 0.48 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 1j3g h TRP 47 CO 0.00 0.56 0.06 0.82 -1.03 0.00 0.00 178.44 178.86 1j3g h ILE 48 N 0.74 1.20 -0.31 2.65 1.08 -1.86 -2.92 117.51 118.10 1j3g h ILE 48 Ca 0.18 -0.62 -0.08 0.00 -0.39 0.00 0.00 64.86 63.95 1j3g h ILE 48 Cb 0.12 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 1j3g h ILE 48 CO -0.02 0.20 -0.13 -0.78 -0.69 0.00 0.00 178.15 176.73 1j3g h ASP 49 N 0.18 0.51 -0.83 1.72 3.58 -1.58 -3.06 116.42 116.94 1j3g h ASP 49 Ca 0.07 -0.14 0.19 0.00 0.42 0.00 0.00 57.03 57.57 1j3g h ASP 49 Cb 0.24 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 1j3g h ASP 49 CO -0.00 0.67 0.56 0.00 -2.88 0.00 0.00 179.24 177.59 1j3g h ALA 50 N 1.38 2.27 0.58 -0.78 0.00 -0.75 0.47 119.26 122.43 1j3g h ALA 50 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1j3g h ALA 50 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1j3g h ALA 50 CO 0.03 -0.52 -0.29 1.25 0.00 0.00 0.00 179.25 179.72 1j3g h LEU 51 N 0.33 -0.70 -0.27 0.00 7.12 -1.53 -0.96 115.31 119.30 1j3g h LEU 51 Ca 0.42 0.03 -0.17 0.00 0.13 0.00 0.00 57.88 58.28 1j3g h LEU 51 Cb 1.12 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.44 1j3g h LEU 51 CO -0.13 -0.49 -0.51 -0.26 -0.13 0.00 0.00 178.44 176.93 1j3g h PHE 52 N -0.80 1.03 -0.21 1.25 -1.00 -1.28 -3.06 116.94 112.88 1j3g h PHE 52 Ca -0.08 -0.37 -0.07 0.00 2.81 0.00 0.00 57.97 60.26 1j3g h PHE 52 Cb 0.62 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1j3g h PHE 52 CO -0.05 1.19 -0.19 0.00 -1.61 0.00 0.00 178.31 177.65 1j3g h THR 53 N 0.59 1.23 0.00 -1.55 1.03 -1.07 -3.48 112.91 109.67 1j3g h THR 53 Ca 0.01 -1.07 0.00 0.00 -0.01 0.00 0.00 66.41 65.35 1j3g h THR 53 Cb 1.12 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 1j3g h THR 53 CO 0.11 0.34 0.00 0.61 -0.01 0.00 0.00 175.52 176.57 1j3g n GLY 54 N -0.60 1.41 0.07 2.99 0.00 -0.67 -5.01 105.19 103.38 1j3g n GLY 54 Ca -0.00 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.66 1.47 -1.72 2.61 -2.24 -0.45 -5.03 114.28 107.27 1j3g n THR 55 Ca 0.00 -1.71 -0.43 0.00 -2.27 0.00 0.00 64.05 59.64 1j3g n THR 55 Cb 0.02 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.04 1.05 -3.77 2.28 3.06 -0.81 -4.96 119.36 115.17 1j3g n ILE 56 Ca 0.10 -0.26 -0.37 0.00 -2.50 0.00 0.00 62.75 59.72 1j3g n ILE 56 Cb 0.52 -1.77 -0.07 0.00 0.54 0.00 0.00 39.64 38.86 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 0.38 6.39 -0.72 9.51 -1.08 -1.26 -5.01 116.67 124.88 1j3g s ASP 57 Ca 0.65 0.46 -0.06 0.00 -0.52 0.00 0.00 52.55 53.09 1j3g s ASP 57 Cb -0.55 -2.10 -0.09 0.00 -1.46 0.00 0.00 42.92 38.71 1j3g s ASP 57 CO 0.50 0.31 2.33 -0.81 0.52 0.00 0.00 175.17 178.03 1j3g n PRO 58 N 2.50 2.03 -0.12 4.34 -0.04 -1.26 -4.40 135.00 138.05 1j3g n PRO 58 Ca -0.18 -1.29 -0.24 0.00 -0.04 0.00 0.00 63.50 61.75 1j3g n PRO 58 Cb 0.54 -2.29 -0.08 0.00 -0.04 0.00 0.00 33.50 31.62 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 3.65 1.65 0.01 3.54 2.85 -1.26 -4.74 115.26 120.96 1j3g n ASN 59 Ca 0.43 0.27 -0.15 0.00 -0.11 0.00 0.00 54.58 55.03 1j3g n ASN 59 Cb 0.28 -0.67 -0.09 0.00 1.24 0.00 0.00 39.78 40.55 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 -0.80 -0.89 -2.36 5.20 0.00 -2.04 -3.47 119.26 114.91 1j3g h ALA 60 Ca -0.58 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 54.48 1j3g h ALA 60 Cb 1.52 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 20.23 1j3g h ALA 60 CO -0.35 -1.06 0.67 -3.38 0.00 0.00 0.00 179.25 175.13 1j3g s HIS 61 N -5.55 0.04 0.05 0.00 -3.43 -1.26 -5.09 115.29 100.05 1j3g s HIS 61 Ca -0.15 -0.35 -0.18 0.00 -0.80 0.00 0.00 55.06 53.59 1j3g s HIS 61 Cb 0.07 0.65 -0.17 0.00 -1.43 0.00 0.00 32.58 31.70 1j3g s HIS 61 CO 0.57 -0.73 1.26 -1.00 -2.00 0.00 0.00 174.74 172.84 1j3g h PRO 62 N 2.00 0.54 0.04 -0.38 0.13 -1.91 -3.28 132.00 129.13 1j3g h PRO 62 Ca -0.26 -0.41 0.02 0.00 -0.87 0.00 0.00 66.00 64.48 1j3g h PRO 62 Cb 1.21 0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1j3g h PRO 62 CO 0.34 1.03 -0.50 -0.92 -0.23 0.00 0.00 178.00 177.72 1j3g h TYR 63 N 0.15 -1.44 -0.02 1.56 3.20 -1.98 0.27 116.97 118.71 1j3g h TYR 63 Ca -0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1j3g h TYR 63 Cb 1.10 0.63 -0.00 0.00 1.54 0.00 0.00 36.73 39.99 1j3g h TYR 63 CO 0.11 -0.56 0.01 0.35 -1.64 0.00 0.00 178.16 176.43 1j3g h PHE 64 N -0.67 0.02 -0.66 -3.82 3.04 -2.00 -0.94 116.94 111.91 1j3g h PHE 64 Ca 0.02 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.00 1j3g h PHE 64 Cb 0.72 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.18 1j3g h PHE 64 CO -0.47 0.02 0.41 0.00 -2.02 0.00 0.00 178.31 176.25 1j3g h ALA 65 N 1.00 0.86 0.27 2.41 0.00 -1.59 -1.65 119.26 120.56 1j3g h ALA 65 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j3g h ALA 65 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1j3g h ALA 65 CO -0.00 0.18 -0.33 0.78 0.00 0.00 0.00 179.25 179.88 1j3g h GLY 66 N 0.81 -1.09 2.00 0.00 0.00 0.00 -3.09 103.07 101.70 1j3g h GLY 66 Ca 0.26 0.51 -0.03 0.00 0.00 0.00 0.00 47.33 48.08 1j3g h GLY 66 CO -0.10 -0.34 -0.13 0.16 0.00 0.00 0.00 176.54 176.13 1j3g h ILE 67 N -0.62 0.78 -0.96 2.60 -0.00 -1.09 -3.23 117.51 114.98 1j3g h ILE 67 Ca -0.03 -0.52 0.31 0.00 -0.00 0.00 0.00 64.86 64.62 1j3g h ILE 67 Cb 0.55 1.31 -0.16 0.00 -0.00 0.00 0.00 36.82 38.51 1j3g h ILE 67 CO -0.07 0.13 0.33 0.00 -0.00 0.00 0.00 178.15 178.54 1j3g h ALA 68 N 1.87 1.61 -0.98 0.16 0.00 -1.21 0.16 119.26 120.87 1j3g h ALA 68 Ca -0.00 0.26 0.17 0.00 0.00 0.00 0.00 54.91 55.34 1j3g h ALA 68 Cb 0.30 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1j3g h ALA 68 CO 0.02 -0.64 0.61 0.45 0.00 0.00 0.00 179.25 179.69 1j3g h HIS 69 N 0.13 1.00 -3.37 0.00 3.86 -1.72 -3.39 115.15 111.66 1j3g h HIS 69 Ca 0.68 0.03 -0.55 0.00 -1.16 0.00 0.00 60.37 59.36 1j3g h HIS 69 Cb 1.54 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 29.66 1j3g h HIS 69 CO -0.21 0.29 0.07 -0.51 0.86 0.00 0.00 177.93 178.43 1j3g s LEU 70 N -10.12 4.47 0.86 2.43 1.02 0.57 -5.07 118.68 112.84 1j3g s LEU 70 Ca -0.11 1.35 -0.11 0.00 0.02 0.00 0.00 54.13 55.28 1j3g s LEU 70 Cb 0.24 -3.08 0.11 0.00 0.02 0.00 0.00 46.19 43.48 1j3g s LEU 70 CO 0.80 0.11 1.11 0.00 0.02 0.00 0.00 176.35 178.39 1j3g s ARG 71 N -0.42 1.50 0.33 1.70 3.03 -1.26 -4.96 118.95 118.88 1j3g s ARG 71 Ca 0.34 1.23 0.09 0.00 2.03 0.00 0.00 55.73 59.42 1j3g s ARG 71 Cb -0.20 -1.81 -0.05 0.00 -1.03 0.00 0.00 34.95 31.86 1j3g s ARG 71 CO 0.21 -2.19 -0.01 0.14 -1.13 0.00 0.00 175.30 172.32 1j3g s VAL 72 N -2.80 2.62 -0.30 4.99 -7.23 -1.26 -4.88 120.40 111.54 1j3g s VAL 72 Ca 0.64 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.66 1j3g s VAL 72 Cb -0.20 -2.76 0.17 0.00 0.56 0.00 0.00 36.38 34.15 1j3g s VAL 72 CO 0.57 -0.22 0.96 -0.44 -0.31 0.00 0.00 175.10 175.67 1j3g s SER 73 N -3.69 -0.63 0.43 4.85 0.01 -1.22 -4.74 113.70 108.70 1j3g s SER 73 Ca 0.34 0.76 0.02 0.00 1.31 0.00 0.00 55.95 58.38 1j3g s SER 73 Cb -0.00 1.67 0.06 0.00 0.21 0.00 0.00 66.02 67.96 1j3g s SER 73 CO 0.19 -0.12 0.42 0.00 0.41 0.00 0.00 173.24 174.14 1j3g n ALA 74 N 5.09 0.29 -0.36 1.44 0.00 -1.26 -2.80 120.51 122.90 1j3g n ALA 74 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1j3g n ALA 74 Cb 0.52 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.86 0.00 -4.02 0.00 8.25 -1.24 -4.08 115.22 112.26 1j3g n HIS 75 Ca 0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 1j3g n HIS 75 Cb 0.27 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.22 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 1.45 4.38 -0.36 0.00 2.96 0.13 -0.35 118.68 126.89 1j3g s LEU 77 Ca 0.04 -0.72 -0.13 0.00 -0.22 0.00 0.00 54.13 53.10 1j3g s LEU 77 Cb -0.14 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 1j3g s LEU 77 CO -0.10 -0.28 0.24 -0.63 -1.32 0.00 0.00 176.35 174.26 1j3g s ILE 78 N 1.59 5.12 0.32 6.68 1.01 -0.21 -0.58 121.20 135.12 1j3g s ILE 78 Ca 0.04 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 1j3g s ILE 78 Cb -0.18 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1j3g s ILE 78 CO 0.07 -0.10 0.75 -0.60 0.00 0.00 0.00 174.94 175.05 1j3g s ARG 79 N 1.68 4.05 0.26 2.79 3.52 -0.48 -0.31 118.95 130.46 1j3g s ARG 79 Ca 0.05 0.73 0.06 0.00 -0.13 0.00 0.00 55.73 56.44 1j3g s ARG 79 Cb -0.18 -2.48 0.32 0.00 -1.56 0.00 0.00 34.95 31.06 1j3g s ARG 79 CO 0.09 0.18 0.98 2.89 -0.81 0.00 0.00 175.30 178.63 1j3g n ARG 80 N -0.23 0.05 -0.69 5.12 -4.01 0.11 -1.64 116.66 115.36 1j3g n ARG 80 Ca 0.03 0.45 -0.11 0.00 -1.04 0.00 0.00 57.85 57.18 1j3g n ARG 80 Cb 0.53 -2.10 0.13 0.00 -3.04 0.00 0.00 32.46 27.98 1j3g n ARG 80 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1j3g n ASP 81 N -1.76 3.53 -2.17 2.89 2.03 -1.26 -3.96 116.55 115.85 1j3g n ASP 81 Ca -0.00 -2.88 -0.20 0.00 0.52 0.00 0.00 54.79 52.23 1j3g n ASP 81 Cb 0.47 -0.68 -0.02 0.00 -0.72 0.00 0.00 41.12 40.16 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 -0.31 -0.20 3.84 0.27 0.00 -0.65 -5.00 105.19 103.14 1j3g n GLY 82 Ca 0.32 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.84 3.10 -0.25 1.61 2.02 -1.08 -4.75 118.70 114.51 1j3g s GLU 83 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 1j3g s GLU 83 Cb 0.00 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.47 1j3g s GLU 83 CO 0.00 0.53 -0.08 0.42 0.02 0.00 0.00 175.26 176.16 1j3g s ILE 84 N -1.63 2.69 0.01 -1.63 1.01 -1.26 -1.38 121.20 119.00 1j3g s ILE 84 Ca 0.32 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1j3g s ILE 84 Cb -0.11 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1j3g s ILE 84 CO 0.25 0.15 0.05 -0.69 0.00 0.00 0.00 174.94 174.70 1j3g s VAL 85 N 1.27 4.48 -0.19 2.92 1.01 0.25 -0.84 120.40 129.30 1j3g s VAL 85 Ca -0.02 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1j3g s VAL 85 Cb -0.17 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.20 1j3g s VAL 85 CO -0.05 0.33 -0.11 -1.58 0.00 0.00 0.00 175.10 173.69 1j3g s GLN 86 N -1.74 2.08 -0.15 2.72 0.74 0.58 -0.69 119.66 123.19 1j3g s GLN 86 Ca 0.22 -0.80 -0.03 0.00 0.05 0.00 0.00 55.36 54.81 1j3g s GLN 86 Cb -0.12 -2.37 -0.02 0.00 1.10 0.00 0.00 33.01 31.60 1j3g s GLN 86 CO 0.13 -0.40 -0.06 0.71 -0.55 0.00 0.00 175.29 175.13 1j3g s TYR 87 N 1.41 2.97 -0.24 1.67 1.51 -0.07 -0.89 117.35 123.71 1j3g s TYR 87 Ca -0.00 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1j3g s TYR 87 Cb -0.16 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1j3g s TYR 87 CO -0.09 -0.09 0.04 0.28 -1.11 0.00 0.00 175.55 174.58 1j3g n VAL 88 N 3.55-10.57 -0.36 0.71 0.31 -1.26 -3.71 118.33 107.00 1j3g n VAL 88 Ca -0.18 1.68 -0.13 0.00 -0.01 0.00 0.00 64.34 65.71 1j3g n VAL 88 Cb 0.52 -6.39 0.12 0.00 -0.91 0.00 0.00 33.84 27.18 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 0.73 -2.68 -0.01 5.55 -0.04 -1.26 -4.77 135.00 132.53 1j3g n PRO 89 Ca -0.06 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 1j3g n PRO 89 Cb 0.09 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -3.90 0.00 -3.60 0.54 3.72 -1.26 -4.55 117.46 108.41 1j3g n PHE 90 Ca 0.06 -0.18 -0.24 0.00 -0.05 0.00 0.00 57.45 57.04 1j3g n PHE 90 Cb 0.25 -0.16 -0.16 0.00 -0.94 0.00 0.00 39.48 38.47 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 1.03 2.01 0.00 4.37 2.15 -1.26 -4.96 116.67 120.01 1j3g s ASP 91 Ca 0.00 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 52.54 1j3g s ASP 91 Cb 0.00 -0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 1j3g s ASP 91 CO 0.00 -0.33 0.00 1.17 -0.17 0.00 0.00 175.17 175.84 1j3g n LYS 92 N 5.29 0.00 -1.13 4.34 3.00 -1.26 -5.02 118.16 123.37 1j3g n LYS 92 Ca -0.06 0.40 -0.37 0.00 -0.00 0.00 0.00 58.31 58.28 1j3g n LYS 92 Cb 0.49 -1.12 -0.00 0.00 0.00 0.00 0.00 35.03 34.40 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 -0.32 0.00 -3.04 1.64 3.00 -1.26 -4.95 116.66 111.73 1j3g n ARG 93 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 1j3g n ARG 93 Cb 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 32.46 31.63 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j3g n ALA 94 N -0.82 0.93 -3.65 5.13 0.00 -1.26 -4.51 120.51 116.33 1j3g n ALA 94 Ca 0.10 -1.85 -0.19 0.00 0.00 0.00 0.00 53.44 51.50 1j3g n ALA 94 Cb 0.34 0.62 -0.17 0.00 0.00 0.00 0.00 19.45 20.24 1j3g n ALA 94 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1j3g s TRP 95 N -2.21 -0.05 -0.47 0.00 -0.00 -1.12 -4.60 118.94 110.49 1j3g s TRP 95 Ca 0.42 0.36 0.06 0.00 -0.00 0.00 0.00 56.10 56.94 1j3g s TRP 95 Cb -0.03 -0.39 0.30 0.00 -0.00 0.00 0.00 33.47 33.34 1j3g s TRP 95 CO 0.26 -0.28 1.03 -2.39 -0.00 0.00 0.00 176.95 175.58 1j3g n HIS 96 N 5.31 -2.91 0.02 5.86 1.44 -1.26 -3.44 115.22 120.24 1j3g n HIS 96 Ca -0.04 -2.08 0.00 0.00 -2.01 0.00 0.00 57.72 53.59 1j3g n HIS 96 Cb 0.50 1.54 0.00 0.00 0.12 0.00 0.00 29.99 32.15 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 0.76 0.00 0.00 1.59 0.00 -1.26 -4.94 120.51 116.66 1j3g n ALA 97 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 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 -1.49 1.86 3.13 0.00 0.00 -1.26 -5.00 105.19 102.43 1j3g n GLY 98 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 0.06 1.61 1.01 -1.26 -3.90 120.40 117.97 1j3g s VAL 99 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 1j3g s VAL 99 Cb 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 36.00 1j3g s VAL 99 CO 0.00 -0.22 0.50 -0.94 0.00 0.00 0.00 175.10 174.43 1j3g s SER 100 N -0.85 -0.40 -0.12 3.32 1.04 -1.22 -4.73 113.70 110.74 1j3g s SER 100 Ca -0.09 0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.34 1j3g s SER 100 Cb -0.05 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1j3g s SER 100 CO 0.02 -0.75 0.29 -0.94 0.98 0.00 0.00 173.24 172.84 1j3g s SER 101 N -2.13 -0.33 0.08 7.02 1.04 -1.26 -0.81 113.70 117.31 1j3g s SER 101 Ca -0.04 0.62 -0.26 0.00 0.48 0.00 0.00 55.95 56.75 1j3g s SER 101 Cb -0.00 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.72 1j3g s SER 101 CO -0.04 -0.16 0.65 -0.47 0.98 0.00 0.00 173.24 174.20 1j3g s TYR 102 N 1.04 -0.56 -1.37 5.02 5.04 -0.33 -4.31 117.35 121.89 1j3g s TYR 102 Ca -0.07 0.56 -0.13 0.00 -2.44 0.00 0.00 57.07 54.99 1j3g s TYR 102 Cb -0.08 0.51 0.02 0.00 0.35 0.00 0.00 41.96 42.76 1j3g s TYR 102 CO -0.07 -0.75 0.24 1.04 -1.34 0.00 0.00 175.55 174.66 1j3g n GLN 103 N 0.02 -0.68 -2.25 4.97 1.13 -1.26 -0.91 117.38 118.40 1j3g n GLN 103 Ca -0.17 0.06 -0.12 0.00 -1.94 0.00 0.00 57.00 54.84 1j3g n GLN 103 Cb 0.62 -3.01 -0.01 0.00 0.11 0.00 0.00 30.24 27.95 1j3g n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j3g n GLY 104 N -2.36 -0.22 2.91 1.08 0.00 -1.26 -4.97 105.19 100.38 1j3g n GLY 104 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.67 1.48 0.05 1.61 6.06 -0.08 -5.13 118.95 118.26 1j3g s ARG 105 Ca 0.00 -0.25 -0.14 0.00 -2.50 0.00 0.00 55.73 52.84 1j3g s ARG 105 Cb 0.00 -1.52 -0.06 0.00 0.06 0.00 0.00 34.95 33.43 1j3g s ARG 105 CO 0.00 -0.23 0.44 -2.00 -2.50 0.00 0.00 175.30 171.01 1j3g s GLU 106 N 1.58 3.92 -0.21 5.12 -6.30 -1.26 -1.18 118.70 120.37 1j3g s GLU 106 Ca 0.02 0.40 -0.01 0.00 -2.50 0.00 0.00 54.97 52.89 1j3g s GLU 106 Cb -0.13 -3.13 0.01 0.00 0.00 0.00 0.00 34.13 30.89 1j3g s GLU 106 CO -0.07 0.62 -0.11 1.03 0.02 0.00 0.00 175.26 176.75 1j3g s ARG 107 N -1.41 3.05 0.31 4.30 0.52 0.01 -4.98 118.95 120.74 1j3g s ARG 107 Ca 0.29 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 1j3g s ARG 107 Cb -0.16 -2.82 0.60 0.00 0.52 0.00 0.00 34.95 33.09 1j3g s ARG 107 CO 0.16 -0.26 1.87 0.00 0.02 0.00 0.00 175.30 177.09 1j3g s ASN 109 N -5.85 -0.16 -1.30 0.00 0.02 -1.25 -4.55 114.94 101.85 1j3g s ASN 109 Ca -0.11 -0.61 -0.15 0.00 -1.02 0.00 0.00 52.86 50.97 1j3g s ASN 109 Cb 0.21 0.53 0.11 0.00 0.02 0.00 0.00 41.25 42.12 1j3g s ASN 109 CO 0.80 -1.00 1.76 -0.67 0.02 0.00 0.00 177.10 178.01 1j3g n ASP 110 N -0.30 4.85 -1.72 -1.22 2.03 -1.26 -4.79 116.55 114.14 1j3g n ASP 110 Ca -0.09 -2.95 -0.04 0.00 0.52 0.00 0.00 54.79 52.23 1j3g n ASP 110 Cb 0.63 -1.64 -0.05 0.00 -0.72 0.00 0.00 41.12 39.33 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 6.48 0.00 -4.38 -0.67 1.16 -1.26 -4.46 117.46 114.33 1j3g n PHE 111 Ca 0.45 -1.05 -0.23 0.00 -1.87 0.00 0.00 57.45 54.75 1j3g n PHE 111 Cb 0.42 -0.81 -0.11 0.00 -1.61 0.00 0.00 39.48 37.37 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 2.04 2.99 -1.00 5.98 0.01 -1.26 -4.42 113.70 118.04 1j3g s SER 112 Ca 0.20 -0.92 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 1j3g s SER 112 Cb 0.10 -0.20 0.25 0.00 0.21 0.00 0.00 66.02 66.37 1j3g s SER 112 CO 0.00 -0.01 2.11 0.00 0.41 0.00 0.00 173.24 175.75 1j3g n ILE 113 N -0.01 5.12 0.00 1.44 0.00 -1.26 -4.66 119.36 119.99 1j3g n ILE 113 Ca -0.10 -4.93 0.00 0.00 0.00 0.00 0.00 62.75 57.72 1j3g n ILE 113 Cb 0.58 -1.63 0.00 0.00 0.00 0.00 0.00 39.64 38.59 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 0.39 0.88 3.45 4.50 0.00 -1.21 -4.77 105.19 108.43 1j3g n GLY 114 Ca 0.52 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 0.03 0.04 -0.04 -0.61 1.01 -1.26 -4.25 121.20 116.12 1j3g s ILE 115 Ca 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 1j3g s ILE 115 Cb 0.00 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.80 1j3g s ILE 115 CO 0.00 -0.20 0.17 -0.70 0.00 0.00 0.00 174.94 174.21 1j3g s GLU 116 N -3.91 0.29 0.16 2.79 2.12 0.53 -3.28 118.70 117.40 1j3g s GLU 116 Ca 0.12 0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.53 1j3g s GLU 116 Cb 0.01 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 1j3g s GLU 116 CO -0.02 -0.05 0.25 -0.51 -0.54 0.00 0.00 175.26 174.39 1j3g s LEU 117 N -0.37 4.20 -0.01 2.70 1.02 -1.20 -1.04 118.68 123.98 1j3g s LEU 117 Ca -0.05 0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.22 1j3g s LEU 117 Cb -0.03 -2.78 -0.01 0.00 0.02 0.00 0.00 46.19 43.39 1j3g s LEU 117 CO 0.01 0.05 -0.11 -0.70 0.02 0.00 0.00 176.35 175.61 1j3g s GLU 118 N -3.27 0.95 0.02 1.70 2.12 0.58 -1.77 118.70 119.02 1j3g s GLU 118 Ca 0.34 -0.38 -0.07 0.00 0.36 0.00 0.00 54.97 55.21 1j3g s GLU 118 Cb -0.11 -0.90 0.02 0.00 0.26 0.00 0.00 34.13 33.40 1j3g s GLU 118 CO 0.27 0.21 0.32 0.41 -0.54 0.00 0.00 175.26 175.94 1j3g n GLY 119 N 2.93 0.77 2.63 -1.50 0.00 -0.36 -0.71 105.19 108.95 1j3g n GLY 119 Ca -0.15 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1j3g n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3g s THR 120 N -2.25 0.84 -1.16 2.61 -4.23 -1.26 -4.45 115.64 105.74 1j3g s THR 120 Ca 0.07 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.51 1j3g s THR 120 Cb -0.00 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 1j3g s THR 120 CO 0.01 -0.87 0.81 -0.67 -0.54 0.00 0.00 174.62 173.35 1j3g n ASP 121 N 4.05 -4.50 -3.27 3.99 2.03 -1.26 -2.53 116.55 115.05 1j3g n ASP 121 Ca 0.07 -0.86 -0.22 0.00 0.52 0.00 0.00 54.79 54.29 1j3g n ASP 121 Cb 0.37 -4.17 0.06 0.00 -0.72 0.00 0.00 41.12 36.66 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 -3.92 -2.56 -2.06 5.18 -2.24 -1.26 -4.96 114.28 102.46 1j3g n THR 122 Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1j3g n THR 122 Cb 0.63 -3.73 -0.03 0.00 -2.10 0.00 0.00 70.33 65.10 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 -6.83 4.38 -0.26 3.22 0.20 -1.05 -4.78 118.68 113.56 1j3g s LEU 123 Ca 0.47 2.52 -0.23 0.00 0.69 0.00 0.00 54.13 57.58 1j3g s LEU 123 Cb -0.21 -3.60 -0.10 0.00 -0.43 0.00 0.00 46.19 41.85 1j3g s LEU 123 CO 0.59 -0.70 0.96 0.00 -0.29 0.00 0.00 176.35 176.91 1j3g n ALA 124 N 3.32 -0.30 1.59 5.97 0.00 -1.26 -4.75 120.51 125.08 1j3g n ALA 124 Ca 0.10 0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.86 1j3g n ALA 124 Cb 0.41 -1.03 0.79 0.00 0.00 0.00 0.00 19.45 19.61 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 2.96 0.00 -2.38 0.00 4.01 -1.26 -4.81 117.16 115.68 1j3g n TYR 125 Ca 0.22 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.92 1j3g n TYR 125 Cb -0.03 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 38.89 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 -1.12 -7.58 -0.12 -0.72 -2.24 -1.25 -4.41 114.28 96.84 1j3g n THR 126 Ca 0.18 0.43 0.09 0.00 -2.27 0.00 0.00 64.05 62.48 1j3g n THR 126 Cb 0.15 -6.01 0.15 0.00 -2.10 0.00 0.00 70.33 62.52 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 -0.59 0.03 -0.33 3.42 9.92 -1.26 -0.10 116.55 127.64 1j3g n ASP 127 Ca 0.06 0.27 0.19 0.00 -0.53 0.00 0.00 54.79 54.78 1j3g n ASP 127 Cb 0.33 -0.13 0.40 0.00 -0.64 0.00 0.00 41.12 41.08 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 0.30 1.76 -0.52 2.24 0.00 -1.97 -0.79 119.26 120.28 1j3g h ALA 128 Ca 0.19 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.37 1j3g h ALA 128 Cb 0.67 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 1j3g h ALA 128 CO -0.07 -0.40 -0.16 1.96 0.00 0.00 0.00 179.25 180.58 1j3g h GLN 129 N 0.43 -0.03 -0.89 0.00 4.20 -0.71 -0.06 115.11 118.04 1j3g h GLN 129 Ca 0.66 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.37 1j3g h GLN 129 Cb 1.35 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.10 1j3g h GLN 129 CO -0.54 -0.02 0.54 1.88 -0.67 0.00 0.00 178.83 180.01 1j3g h TYR 130 N -0.03 1.18 -0.14 2.96 0.05 -1.34 0.22 116.97 119.87 1j3g h TYR 130 Ca 0.25 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.01 1j3g h TYR 130 Cb 0.41 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1j3g h TYR 130 CO -0.46 0.78 0.02 1.96 -1.05 0.00 0.00 178.16 179.41 1j3g h GLN 131 N 1.23 0.24 0.29 4.88 4.20 -1.22 0.18 115.11 124.90 1j3g h GLN 131 Ca 0.32 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 1j3g h GLN 131 Cb -0.05 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1j3g h GLN 131 CO -0.06 0.43 -0.14 1.96 -0.67 0.00 0.00 178.83 180.35 1j3g h GLN 132 N 0.01 -0.38 -0.53 1.46 1.08 -0.76 -0.80 115.11 115.19 1j3g h GLN 132 Ca 0.04 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.35 1j3g h GLN 132 Cb 0.31 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.76 1j3g h GLN 132 CO 0.00 -0.08 0.18 1.25 -0.95 0.00 0.00 178.83 179.24 1j3g h LEU 133 N -0.68 0.16 -1.05 1.46 5.85 -0.64 -0.46 115.31 119.95 1j3g h LEU 133 Ca -0.04 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1j3g h LEU 133 Cb 0.47 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1j3g h LEU 133 CO 0.07 0.11 0.23 0.00 -0.34 0.00 0.00 178.44 178.51 1j3g h ALA 134 N 1.37 1.24 0.35 1.25 0.00 -0.87 0.17 119.26 122.77 1j3g h ALA 134 Ca 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1j3g h ALA 134 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1j3g h ALA 134 CO -0.28 0.55 -0.17 0.00 0.00 0.00 0.00 179.25 179.35 1j3g h ALA 135 N 1.36 -0.47 -0.03 0.00 0.00 -0.33 -1.19 119.26 118.60 1j3g h ALA 135 Ca 0.21 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1j3g h ALA 135 Cb 0.20 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1j3g h ALA 135 CO -0.02 -0.73 -0.21 0.28 0.00 0.00 0.00 179.25 178.58 1j3g h VAL 136 N -0.53 0.51 0.48 0.00 2.07 -0.79 -2.69 116.25 115.31 1j3g h VAL 136 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1j3g h VAL 136 Cb 0.40 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1j3g h VAL 136 CO 0.08 0.00 -0.45 0.74 0.02 0.00 0.00 177.57 177.96 1j3g h THR 137 N -0.31 0.00 -0.79 2.57 2.02 -0.59 0.15 112.91 115.96 1j3g h THR 137 Ca 0.07 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.36 1j3g h THR 137 Cb 0.41 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.74 1j3g h THR 137 CO -0.21 0.00 0.41 0.78 0.37 0.00 0.00 175.52 176.87 1j3g h ASN 138 N -0.92 0.53 -0.04 4.18 4.21 -1.24 0.53 115.58 122.83 1j3g h ASN 138 Ca -0.06 0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 1j3g h ASN 138 Cb 0.78 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1j3g h ASN 138 CO -0.03 0.27 -0.06 0.00 -1.29 0.00 0.00 177.43 176.32 1j3g h ALA 139 N 1.49 0.06 -0.80 -0.83 0.00 -1.27 -2.96 119.26 114.95 1j3g h ALA 139 Ca 0.41 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1j3g h ALA 139 Cb 0.48 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1j3g h ALA 139 CO -0.30 -0.12 0.52 -0.07 0.00 0.00 0.00 179.25 179.28 1j3g h LEU 140 N -0.40 0.71 -1.81 0.00 3.38 -0.14 -1.68 115.31 115.37 1j3g h LEU 140 Ca 0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1j3g h LEU 140 Cb 0.61 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1j3g h LEU 140 CO 0.01 0.44 0.18 0.40 0.09 0.00 0.00 178.44 179.56 1j3g h ILE 141 N 0.80 1.00 0.00 1.22 2.04 -0.87 0.27 117.51 121.96 1j3g h ILE 141 Ca 0.36 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.13 1j3g h ILE 141 Cb 0.35 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1j3g h ILE 141 CO -0.13 0.04 0.00 0.74 0.00 0.00 0.00 178.15 178.80 1j3g h THR 142 N 0.24 0.00 0.00 -0.27 2.02 -1.13 -3.19 112.91 110.59 1j3g h THR 142 Ca 0.11 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1j3g h THR 142 Cb 0.14 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1j3g h THR 142 CO -0.02 0.00 -0.46 0.54 0.37 0.00 0.00 175.52 175.95 1j3g n ARG 143 N -2.59 0.25 -3.80 6.66 3.00 -0.00 -4.91 116.66 115.27 1j3g n ARG 143 Ca -0.01 0.13 -0.37 0.00 -0.01 0.00 0.00 57.85 57.60 1j3g n ARG 143 Cb 0.14 -0.98 -0.13 0.00 0.00 0.00 0.00 32.46 31.49 1j3g n ARG 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1j3g s TYR 144 N -1.89 3.18 -0.40 -1.55 2.02 -0.68 -5.07 117.35 112.96 1j3g s TYR 144 Ca -0.13 -1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 55.16 1j3g s TYR 144 Cb 0.02 -2.22 0.05 0.00 -0.40 0.00 0.00 41.96 39.40 1j3g s TYR 144 CO 0.20 -0.67 0.25 -1.25 -1.57 0.00 0.00 175.55 172.51 1j3g s PRO 145 N 1.42 2.80 0.06 -1.71 0.04 -1.21 -4.22 135.00 132.18 1j3g s PRO 145 Ca 0.00 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 59.83 1j3g s PRO 145 Cb -0.18 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1j3g s PRO 145 CO 0.01 -0.81 0.00 0.00 0.04 0.00 0.00 177.00 176.24 1j3g n ALA 146 N 5.02 1.18 -0.42 8.56 0.00 -1.26 -4.91 120.51 128.68 1j3g n ALA 146 Ca -0.11 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.68 1j3g n ALA 146 Cb 0.45 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.57 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 -0.71 0.00 2.04 -1.79 -0.74 117.51 116.59 1j3g h ILE 147 Ca 0.00 -0.04 0.21 0.00 1.00 0.00 0.00 64.86 66.02 1j3g h ILE 147 Cb 0.00 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1j3g h ILE 147 CO 0.00 0.02 0.80 0.00 0.00 0.00 0.00 178.15 178.97 1j3g h ALA 148 N 1.46 2.52 0.00 1.87 0.00 -1.91 0.07 119.26 123.27 1j3g h ALA 148 Ca 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1j3g h ALA 148 Cb 2.40 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1j3g h ALA 148 CO -0.21 -1.17 -0.28 0.09 0.00 0.00 0.00 179.25 177.68 1j3g n ASN 149 N -3.51 0.86 -3.45 0.00 3.02 -0.29 -4.44 115.26 107.45 1j3g n ASN 149 Ca 0.15 -2.30 -0.28 0.00 -0.03 0.00 0.00 54.58 52.12 1j3g n ASN 149 Cb 1.04 -0.26 -0.11 0.00 -0.61 0.00 0.00 39.78 39.85 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 -1.56 2.22 -0.17 6.41 -0.87 0.01 -4.90 114.94 116.09 1j3g s ASN 150 Ca 0.11 -2.74 0.00 0.00 -1.57 0.00 0.00 52.86 48.66 1j3g s ASN 150 Cb 0.09 -0.49 0.04 0.00 -0.02 0.00 0.00 41.25 40.87 1j3g s ASN 150 CO 0.01 -0.22 -0.09 -0.04 -2.57 0.00 0.00 177.10 174.19 1j3g s MET 151 N 0.40 1.82 0.12 -0.60 -1.94 -1.26 -2.85 119.30 115.00 1j3g s MET 151 Ca 0.26 -0.60 -0.02 0.00 -1.71 0.00 0.00 55.69 53.62 1j3g s MET 151 Cb -0.08 -2.11 0.01 0.00 2.01 0.00 0.00 34.83 34.66 1j3g s MET 151 CO -0.11 -0.37 0.20 -2.37 -0.01 0.00 0.00 175.02 172.36 1j3g n THR 152 N 4.80 0.00 0.00 2.05 5.66 -0.90 -5.02 114.28 120.87 1j3g n THR 152 Ca -0.14 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.35 1j3g n THR 152 Cb 0.48 0.36 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 4.97 0.02 1.09 0.00 -1.26 -0.13 105.19 109.69 1j3g n GLY 153 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 0.25 1.61 -0.00 -0.35 -4.58 115.22 112.14 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 -0.25 -0.13 0.00 -0.00 0.00 0.00 29.99 29.60 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 -1.94 5.95 0.00 0.00 5.15 -1.05 -4.28 115.26 119.09 1j3g n ASN 156 Ca -0.01 -2.76 0.07 0.00 -0.60 0.00 0.00 54.58 51.27 1j3g n ASN 156 Cb 0.43 -1.10 0.31 0.00 -0.53 0.00 0.00 39.78 38.89 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 0.91 0.95 0.08 -1.44 -0.00 -1.26 -4.54 119.36 114.05 1j3g n ILE 157 Ca 0.17 0.24 0.00 0.00 -0.00 0.00 0.00 62.75 63.16 1j3g n ILE 157 Cb 0.55 -0.99 0.00 0.00 -0.00 0.00 0.00 39.64 39.19 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 -1.46 0.43 -2.62 -1.28 0.00 -1.26 -4.60 120.51 109.72 1j3g n ALA 158 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 1j3g n ALA 158 Cb 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 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 4.05 0.44 0.00 0.04 -1.26 -4.96 135.00 131.30 1j3g s PRO 159 Ca 0.00 -0.00 0.30 0.00 0.04 0.00 0.00 61.00 61.34 1j3g s PRO 159 Cb 0.00 -3.62 1.48 0.00 0.04 0.00 0.00 34.50 32.40 1j3g s PRO 159 CO 0.00 -0.18 1.92 1.49 0.04 0.00 0.00 177.00 180.27 1j3g h GLU 160 N 7.96 0.00 0.00 4.56 4.81 -1.91 -2.96 114.58 127.04 1j3g h GLU 160 Ca -0.34 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1j3g h GLU 160 Cb 1.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1j3g h GLU 160 CO 0.65 0.00 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.77 1j3g h ARG 161 N 0.00 0.00 -3.09 1.92 2.43 -1.96 -3.39 114.38 110.29 1j3g h ARG 161 Ca 0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 1j3g h ARG 161 Cb 0.19 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 29.41 1j3g h ARG 161 CO 0.00 0.07 -0.59 0.15 -1.51 0.00 0.00 179.97 178.08 1j3g s LYS 162 N -4.38 0.08 -0.01 0.20 1.02 -1.12 -5.00 119.74 110.54 1j3g s LYS 162 Ca -0.04 0.54 0.06 0.00 0.02 0.00 0.00 55.97 56.55 1j3g s LYS 162 Cb 0.14 -0.19 -0.09 0.00 -0.52 0.00 0.00 37.83 37.17 1j3g s LYS 162 CO 0.57 -0.25 0.19 2.41 -0.92 0.00 0.00 175.35 177.34 1j3g n THR 163 N 4.91 0.00 -3.67 2.17 -1.04 -1.26 -2.52 114.28 112.87 1j3g n THR 163 Ca -0.13 -0.22 0.02 0.00 -2.04 0.00 0.00 64.05 61.68 1j3g n THR 163 Cb 0.51 0.59 -0.00 0.00 -1.82 0.00 0.00 70.33 69.61 1j3g n THR 163 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1j3g s ASP 164 N -2.31 -0.04 -1.00 8.00 2.15 -1.26 -0.50 116.67 121.71 1j3g s ASP 164 Ca -0.01 -0.13 -0.24 0.00 0.43 0.00 0.00 52.55 52.61 1j3g s ASP 164 Cb 0.04 0.14 -0.04 0.00 -0.30 0.00 0.00 42.92 42.76 1j3g s ASP 164 CO 0.26 -0.26 1.88 -2.16 -0.17 0.00 0.00 175.17 174.72 1j3g s PRO 165 N -2.31 2.71 0.00 4.34 0.04 -1.26 -3.75 135.00 134.77 1j3g s PRO 165 Ca 0.17 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.55 1j3g s PRO 165 Cb 0.04 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1j3g s PRO 165 CO -0.04 -3.35 0.00 0.41 0.04 0.00 0.00 177.00 174.06 1j3g n GLY 166 N 6.56 0.76 0.00 0.56 0.00 -1.26 -4.94 105.19 106.87 1j3g n GLY 166 Ca 0.41 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.80 1.61 -0.04 -1.25 -4.02 135.00 127.51 1j3g n PRO 167 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 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 -3.68 -1.66 3.54 2.88 -1.26 -4.81 113.62 108.63 1j3g n SER 168 Ca 0.00 -0.77 0.07 0.00 -1.33 0.00 0.00 58.87 56.84 1j3g n SER 168 Cb 0.00 -4.08 0.35 0.00 -0.75 0.00 0.00 64.21 59.73 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 1.71 -3.70 0.66 7.35 -1.26 -4.97 117.46 112.68 1j3g n PHE 169 Ca -0.08 -0.61 -0.25 0.00 -0.76 0.00 0.00 57.45 55.75 1j3g n PHE 169 Cb 0.58 -0.40 0.01 0.00 0.35 0.00 0.00 39.48 40.02 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 0.68 -5.30 0.22 -2.13 -0.08 -1.26 -4.60 116.55 104.07 1j3g n ASP 170 Ca 0.24 -0.88 0.17 0.00 -1.51 0.00 0.00 54.79 52.81 1j3g n ASP 170 Cb 1.02 -2.49 0.84 0.00 2.34 0.00 0.00 41.12 42.83 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 -0.72 0.00 0.42 -0.67 4.06 -1.98 -0.00 115.95 117.06 1j3g h TRP 171 Ca -0.55 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.38 1j3g h TRP 171 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.50 1j3g h TRP 171 CO 0.26 0.00 -0.20 0.00 -3.56 0.00 0.00 178.44 174.94 1j3g h ALA 172 N 1.80 -0.57 -0.61 1.49 0.00 -1.99 -0.81 119.26 118.56 1j3g h ALA 172 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1j3g h ALA 172 Cb 0.42 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1j3g h ALA 172 CO -0.00 -0.68 0.29 0.00 0.00 0.00 0.00 179.25 178.86 1j3g h ARG 173 N -0.85 0.89 0.25 0.00 3.08 -1.71 -1.38 114.38 114.67 1j3g h ARG 173 Ca -0.06 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1j3g h ARG 173 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1j3g h ARG 173 CO 0.10 0.71 -0.12 0.35 -1.07 0.00 0.00 179.97 179.94 1j3g h PHE 174 N 0.84 -0.32 -0.33 3.04 3.57 -1.03 0.14 116.94 122.85 1j3g h PHE 174 Ca 0.21 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1j3g h PHE 174 Cb 0.12 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1j3g h PHE 174 CO 0.00 -0.14 0.00 -0.09 -2.23 0.00 0.00 178.31 175.85 1j3g h ARG 175 N -0.41 0.51 -0.38 1.11 2.43 -1.13 -1.27 114.38 115.25 1j3g h ARG 175 Ca -0.03 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1j3g h ARG 175 Cb 0.31 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1j3g h ARG 175 CO 0.06 0.54 0.03 0.00 -1.51 0.00 0.00 179.97 179.09 1j3g h ALA 176 N 1.51 0.51 0.28 2.80 0.00 -0.83 -3.35 119.26 120.17 1j3g h ALA 176 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1j3g h ALA 176 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1j3g h ALA 176 CO 0.01 0.25 -0.13 -0.07 0.00 0.00 0.00 179.25 179.30 1j3g h LEU 177 N 0.48 -0.32-10.30 0.00 3.38 -0.24 -3.45 115.31 104.86 1j3g h LEU 177 Ca 0.11 -0.21 -0.52 0.00 0.09 0.00 0.00 57.88 57.35 1j3g h LEU 177 Cb 0.42 0.08 0.16 0.00 0.09 0.00 0.00 40.66 41.41 1j3g h LEU 177 CO 0.01 0.10 0.28 -0.69 0.09 0.00 0.00 178.44 178.23 1j3g s VAL 178 N -4.27 2.78 -0.35 1.22 1.01 -0.52 -4.89 120.40 115.37 1j3g s VAL 178 Ca -0.14 0.25 -0.40 0.00 0.00 0.00 0.00 61.98 61.70 1j3g s VAL 178 Cb 0.02 -2.54 -0.15 0.00 0.00 0.00 0.00 36.38 33.70 1j3g s VAL 178 CO 0.51 -0.33 1.91 0.41 0.00 0.00 0.00 175.10 177.60 1j3g n THR 179 N -3.84 0.21 -0.90 3.92 -1.04 -1.26 -4.80 114.28 106.56 1j3g n THR 179 Ca 0.10 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1j3g n THR 179 Cb 0.53 -1.16 -0.15 0.00 -1.82 0.00 0.00 70.33 67.73 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 6.33 1.81 -3.37 -2.82 -0.04 -1.26 -4.65 135.00 131.01 1j3g n PRO 180 Ca 0.35 -0.86 -0.22 0.00 -0.04 0.00 0.00 63.50 62.73 1j3g n PRO 180 Cb 0.11 -1.89 -0.01 0.00 -0.04 0.00 0.00 33.50 31.67 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 2.43 -3.18 -3.82 3.54 2.88 -1.26 -4.88 113.62 109.34 1j3g n SER 181 Ca 0.37 -0.36 -0.08 0.00 -1.33 0.00 0.00 58.87 57.47 1j3g n SER 181 Cb 0.84 -2.66 -0.02 0.00 -0.75 0.00 0.00 64.21 61.61 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 -2.67 -0.28 -1.29 -3.46 0.15 -1.26 -4.96 113.70 99.92 1j3g s SER 182 Ca 0.39 -0.57 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 1j3g s SER 182 Cb -0.21 0.69 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1j3g s SER 182 CO 0.48 -1.27 0.81 1.57 1.20 0.00 0.00 173.24 176.03 1j3g n HIS 183 N -0.44 -2.04 -4.36 3.44 -0.00 -1.26 -4.85 115.22 105.72 1j3g n HIS 183 Ca -0.06 0.88 -0.18 0.00 -0.00 0.00 0.00 57.72 58.36 1j3g n HIS 183 Cb 0.60 -4.57 -0.10 0.00 -0.00 0.00 0.00 29.99 25.91 1j3g n HIS 183 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1j3g s LYS 184 N -5.87 1.42 0.07 1.57 2.36 -1.26 -4.92 119.74 113.12 1j3g s LYS 184 Ca 0.06 -1.74 0.02 0.00 -2.55 0.00 0.00 55.97 51.76 1j3g s LYS 184 Cb -0.03 -0.65 -0.03 0.00 -1.05 0.00 0.00 37.83 36.07 1j3g s LYS 184 CO 0.79 -0.13 -0.07 -1.83 1.55 0.00 0.00 175.35 175.65 1j3g s GLU 185 N -3.88 0.70 -0.02 4.03 4.04 -1.26 -5.18 118.70 117.13 1j3g s GLU 185 Ca 0.31 -1.07 -0.30 0.00 0.04 0.00 0.00 54.97 53.96 1j3g s GLU 185 Cb 0.06 -0.28 0.11 0.00 0.02 0.00 0.00 34.13 34.05 1j3g s GLU 185 CO 0.11 0.02 1.09 1.41 -1.84 0.00 0.00 175.26 176.06 1j3g s MET 186 N -2.74 0.65 0.00 -4.83 1.75 -1.26 -4.97 119.30 107.90 1j3g s MET 186 Ca 0.02 -0.31 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 1j3g s MET 186 Cb -0.02 0.26 0.00 0.00 2.84 0.00 0.00 34.83 37.91 1j3g s MET 186 CO -0.02 -0.29 0.00 2.41 -0.65 0.00 0.00 175.02 176.47