#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 -0.02 -0.89 2.96 -1.26 -5.02 118.68 118.82 1j3g s LEU 2 Ca 0.00 2.20 0.03 0.00 -0.22 0.00 0.00 54.13 56.14 1j3g s LEU 2 Cb 0.00 -3.86 0.00 0.00 0.50 0.00 0.00 46.19 42.84 1j3g s LEU 2 CO 0.00 -0.31 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.86 1j3g s LEU 3 N -1.96 1.83 -0.06 -0.68 1.43 -1.26 -2.84 118.68 115.14 1j3g s LEU 3 Ca 0.50 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1j3g s LEU 3 Cb -0.28 -0.57 0.03 0.00 0.03 0.00 0.00 46.19 45.39 1j3g s LEU 3 CO 0.36 0.08 -0.02 -0.62 0.23 0.00 0.00 176.35 176.38 1j3g s ASP 4 N 0.11 1.32 -1.40 2.29 2.15 -0.56 -4.79 116.67 115.79 1j3g s ASP 4 Ca -0.02 -0.11 -0.07 0.00 0.43 0.00 0.00 52.55 52.78 1j3g s ASP 4 Cb -0.08 -0.46 0.04 0.00 -0.30 0.00 0.00 42.92 42.12 1j3g s ASP 4 CO 0.00 -0.13 0.54 -0.62 -0.17 0.00 0.00 175.17 174.79 1j3g n GLU 5 N 4.65 -4.07 -0.80 4.34 1.02 -1.26 -0.90 120.64 123.62 1j3g n GLU 5 Ca -0.15 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1j3g n GLU 5 Cb 0.50 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.48 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 -1.33 0.28 3.99 0.62 0.00 -1.26 -4.98 105.19 102.51 1j3g n GLY 6 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 1j3g n GLY 6 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j3g s TRP 7 N -1.78 2.96 -0.15 1.61 0.52 -0.08 -4.98 118.94 117.04 1j3g s TRP 7 Ca 0.00 -0.18 -0.29 0.00 0.02 0.00 0.00 56.10 55.65 1j3g s TRP 7 Cb 0.00 -2.36 -0.00 0.00 -1.15 0.00 0.00 33.47 29.95 1j3g s TRP 7 CO 0.00 -0.41 1.00 -1.17 0.02 0.00 0.00 176.95 176.39 1j3g s LEU 8 N -4.43 4.19 0.78 2.99 0.20 -1.26 -1.50 118.68 119.65 1j3g s LEU 8 Ca 0.52 1.45 -0.12 0.00 0.69 0.00 0.00 54.13 56.67 1j3g s LEU 8 Cb -0.10 -3.52 0.06 0.00 -0.43 0.00 0.00 46.19 42.20 1j3g s LEU 8 CO 0.34 -0.52 1.15 0.00 -0.29 0.00 0.00 176.35 177.04 1j3g s ALA 9 N 2.42 2.73 -1.24 5.97 0.00 -1.13 -4.26 121.76 126.25 1j3g s ALA 9 Ca 0.46 -0.59 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 1j3g s ALA 9 Cb -0.17 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1j3g s ALA 9 CO 0.13 -1.54 0.62 0.39 0.00 0.00 0.00 175.76 175.37 1j3g n GLU 10 N -3.23 -0.92 -3.77 0.00 1.02 -1.26 -4.87 120.64 107.61 1j3g n GLU 10 Ca 0.08 0.23 -0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1j3g n GLU 10 Cb 0.60 -3.33 -0.07 0.00 -0.02 0.00 0.00 31.44 28.62 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 -3.64 -0.60 -0.20 0.62 0.00 -1.26 -4.70 121.76 111.99 1j3g s ALA 11 Ca 0.39 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 1j3g s ALA 11 Cb -0.19 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1j3g s ALA 11 CO 0.93 -0.45 0.44 0.50 0.00 0.00 0.00 175.76 177.19 1j3g s ARG 12 N -2.90 4.19 -0.27 0.00 3.52 0.14 -4.92 118.95 118.71 1j3g s ARG 12 Ca -0.03 0.29 -0.26 0.00 -0.13 0.00 0.00 55.73 55.61 1j3g s ARG 12 Cb 0.00 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.86 1j3g s ARG 12 CO -0.06 -0.07 0.90 -0.98 -0.81 0.00 0.00 175.30 174.29 1j3g s ARG 13 N 1.39 4.12 -0.43 5.12 1.70 -1.26 -0.76 118.95 128.83 1j3g s ARG 13 Ca 0.21 0.95 0.09 0.00 -0.47 0.00 0.00 55.73 56.51 1j3g s ARG 13 Cb -0.15 -3.68 0.28 0.00 -0.57 0.00 0.00 34.95 30.83 1j3g s ARG 13 CO 0.09 -0.64 0.63 0.28 -1.08 0.00 0.00 175.30 174.58 1j3g n VAL 14 N 5.44 0.07 -1.91 4.99 0.31 0.15 -4.96 118.33 122.42 1j3g n VAL 14 Ca 0.07 -4.42 -0.42 0.00 -0.01 0.00 0.00 64.34 59.56 1j3g n VAL 14 Cb 0.47 -1.49 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 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 -1.82 4.19 0.41 5.55 0.04 -1.26 -4.06 135.00 138.04 1j3g s PRO 15 Ca 0.38 2.34 -0.25 0.00 0.04 0.00 0.00 61.00 63.50 1j3g s PRO 15 Cb 0.22 -3.74 -0.10 0.00 0.04 0.00 0.00 34.50 30.92 1j3g s PRO 15 CO -0.09 -0.78 1.16 0.45 0.04 0.00 0.00 177.00 177.78 1j3g n SER 16 N 6.14 2.01 0.05 6.66 2.88 -1.26 -4.89 113.62 125.21 1j3g n SER 16 Ca 0.17 1.09 0.11 0.00 -1.33 0.00 0.00 58.87 58.90 1j3g n SER 16 Cb 0.41 -1.43 0.44 0.00 -0.75 0.00 0.00 64.21 62.87 1j3g n SER 16 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1j3g n PRO 17 N 0.14 0.09 -3.38 -1.46 -0.04 -1.26 -4.44 135.00 124.65 1j3g n PRO 17 Ca 0.08 0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.70 1j3g n PRO 17 Cb 0.39 -1.65 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 1j3g n PRO 17 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1j3g s HIS 18 N -3.10 -0.85 0.99 0.54 5.65 -1.26 -5.17 115.29 112.08 1j3g s HIS 18 Ca 0.08 0.96 -0.17 0.00 0.25 0.00 0.00 55.06 56.19 1j3g s HIS 18 Cb 0.12 0.08 0.21 0.00 -1.18 0.00 0.00 32.58 31.81 1j3g s HIS 18 CO 0.40 -0.69 1.33 0.71 -0.65 0.00 0.00 174.74 175.84 1j3g s TYR 19 N 2.57 1.42 0.18 3.88 2.02 -1.26 -4.48 117.35 121.69 1j3g s TYR 19 Ca 0.11 0.28 0.02 0.00 -0.37 0.00 0.00 57.07 57.11 1j3g s TYR 19 Cb -0.15 -4.16 0.02 0.00 -0.40 0.00 0.00 41.96 37.27 1j3g s TYR 19 CO -0.16 -2.78 0.16 -0.25 -1.57 0.00 0.00 175.55 170.95 1j3g n ASP 20 N -3.85 1.41 -3.44 2.29 9.92 -1.26 -4.96 116.55 116.67 1j3g n ASP 20 Ca 0.16 -1.61 0.01 0.00 -0.53 0.00 0.00 54.79 52.82 1j3g n ASP 20 Cb 0.59 -0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 41.00 1j3g n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j3g s ARG 22 N 2.69 2.06 -1.38 0.00 3.00 -1.26 -5.06 118.95 119.00 1j3g s ARG 22 Ca -0.01 -0.87 -0.12 0.00 0.00 0.00 0.00 55.73 54.73 1j3g s ARG 22 Cb -0.09 -1.94 0.10 0.00 0.00 0.00 0.00 34.95 33.02 1j3g s ARG 22 CO -0.18 0.49 2.07 -0.35 0.00 0.00 0.00 175.30 177.33 1j3g n PRO 23 N 2.58 3.20 -3.93 3.54 -0.04 -1.26 -4.88 135.00 134.21 1j3g n PRO 23 Ca -0.16 -3.02 -0.09 0.00 -0.04 0.00 0.00 63.50 60.19 1j3g n PRO 23 Cb 0.52 -3.13 -0.09 0.00 -0.04 0.00 0.00 33.50 30.76 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 2.14 0.18 -0.27 3.54 1.01 -1.26 -5.15 116.67 116.86 1j3g s ASP 24 Ca 0.44 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 53.16 1j3g s ASP 24 Cb 0.12 0.22 0.15 0.00 1.01 0.00 0.00 42.92 44.42 1j3g s ASP 24 CO -0.05 -0.50 0.38 -1.81 0.21 0.00 0.00 175.17 173.41 1j3g s ASP 25 N -2.10 0.51 0.03 0.27 1.01 -1.26 -5.13 116.67 110.00 1j3g s ASP 25 Ca -0.05 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.00 1j3g s ASP 25 Cb -0.01 1.03 -0.02 0.00 1.01 0.00 0.00 42.92 44.93 1j3g s ASP 25 CO -0.04 -0.34 -0.06 -0.70 0.21 0.00 0.00 175.17 174.23 1j3g s GLU 26 N 2.52 0.45 0.10 8.23 2.56 -1.26 -5.13 118.70 126.18 1j3g s GLU 26 Ca 0.11 -0.56 -0.31 0.00 0.00 0.00 0.00 54.97 54.20 1j3g s GLU 26 Cb -0.14 -0.26 -0.10 0.00 2.00 0.00 0.00 34.13 35.63 1j3g s GLU 26 CO -0.26 0.05 1.88 -1.71 -0.56 0.00 0.00 175.26 174.66 1j3g n ASN 27 N 1.92 4.07 -4.57 -1.70 5.15 -1.26 -4.89 115.26 113.99 1j3g n ASN 27 Ca -0.20 0.96 -0.41 0.00 -0.60 0.00 0.00 54.58 54.34 1j3g n ASN 27 Cb 0.56 -1.54 -0.03 0.00 -0.53 0.00 0.00 39.78 38.24 1j3g n ASN 27 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1j3g s PRO 28 N 3.21 3.07 -0.38 1.20 0.04 -1.26 -4.78 135.00 136.09 1j3g s PRO 28 Ca 0.84 0.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 1j3g s PRO 28 Cb -0.47 -4.23 0.21 0.00 0.04 0.00 0.00 34.50 30.05 1j3g s PRO 28 CO 0.39 -2.21 1.02 0.45 0.04 0.00 0.00 177.00 176.69 1j3g n SER 29 N 10.76 -1.94 -3.81 6.66 2.88 -1.26 -4.44 113.62 122.47 1j3g n SER 29 Ca 0.16 -1.48 -0.14 0.00 -1.33 0.00 0.00 58.87 56.08 1j3g n SER 29 Cb 0.50 0.99 -0.15 0.00 -0.75 0.00 0.00 64.21 64.80 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 0.88 1.41 -0.24 2.46 2.96 -1.26 -4.18 118.68 120.70 1j3g s LEU 30 Ca 0.25 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 54.05 1j3g s LEU 30 Cb 0.10 -0.05 -0.04 0.00 0.50 0.00 0.00 46.19 46.70 1j3g s LEU 30 CO -0.09 -0.08 0.29 -0.22 -1.32 0.00 0.00 176.35 174.92 1j3g s LEU 31 N 0.68 4.10 -0.26 -0.68 2.96 -1.03 -3.46 118.68 120.98 1j3g s LEU 31 Ca -0.06 0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1j3g s LEU 31 Cb -0.08 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 1j3g s LEU 31 CO -0.02 -0.06 0.07 -0.69 -1.32 0.00 0.00 176.35 174.34 1j3g s VAL 32 N 1.48 4.22 -0.25 1.68 1.01 -1.22 -1.87 120.40 125.45 1j3g s VAL 32 Ca 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1j3g s VAL 32 Cb -0.15 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.24 1j3g s VAL 32 CO 0.08 0.27 -0.07 -0.69 0.00 0.00 0.00 175.10 174.69 1j3g s VAL 33 N 1.59 2.75 -0.11 2.92 1.01 0.51 -3.86 120.40 125.21 1j3g s VAL 33 Ca 0.06 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 1j3g s VAL 33 Cb -0.16 -2.41 0.11 0.00 0.00 0.00 0.00 36.38 33.93 1j3g s VAL 33 CO 0.03 0.19 0.93 -1.38 0.00 0.00 0.00 175.10 174.87 1j3g s HIS 34 N 1.30 -0.40 -0.39 5.22 -3.43 -1.26 -4.11 115.29 112.22 1j3g s HIS 34 Ca -0.01 0.60 -0.17 0.00 -0.80 0.00 0.00 55.06 54.68 1j3g s HIS 34 Cb -0.17 0.47 0.01 0.00 -1.43 0.00 0.00 32.58 31.45 1j3g s HIS 34 CO -0.05 -0.42 0.42 1.21 -2.00 0.00 0.00 174.74 173.89 1j3g s ASN 35 N -1.44 6.20 0.41 7.38 2.47 -1.26 -2.65 114.94 126.05 1j3g s ASN 35 Ca -0.01 -0.47 0.03 0.00 0.42 0.00 0.00 52.86 52.83 1j3g s ASN 35 Cb -0.01 -2.22 -0.03 0.00 -1.45 0.00 0.00 41.25 37.54 1j3g s ASN 35 CO 0.00 -0.49 0.09 -0.63 -3.72 0.00 0.00 177.10 172.35 1j3g s ILE 36 N 2.11 0.88 -0.29 -5.21 -1.09 -0.88 -4.90 121.20 111.82 1j3g s ILE 36 Ca 0.12 -2.00 -0.11 0.00 -2.23 0.00 0.00 60.65 56.43 1j3g s ILE 36 Cb -0.17 -2.44 0.12 0.00 -1.58 0.00 0.00 42.46 38.39 1j3g s ILE 36 CO 0.13 0.00 0.65 -0.55 -1.23 0.00 0.00 174.94 173.94 1j3g s SER 37 N -3.63 -1.07 0.00 3.58 0.15 -1.26 -2.95 113.70 108.52 1j3g s SER 37 Ca 0.24 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.43 1j3g s SER 37 Cb 0.04 2.05 0.00 0.00 -1.71 0.00 0.00 66.02 66.41 1j3g s SER 37 CO 0.13 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.23 1j3g n LEU 38 N 5.18 0.00 -4.86 3.45 -0.00 -1.26 -5.06 117.00 114.44 1j3g n LEU 38 Ca -0.14 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.53 1j3g n LEU 38 Cb 0.51 0.05 -0.06 0.00 -0.00 0.00 0.00 43.42 43.92 1j3g n LEU 38 CO -0.03 -0.42 0.20 -2.16 -0.00 0.00 0.00 177.39 174.98 1j3g s PRO 39 N -1.84 3.89 -0.17 1.96 0.04 -1.26 -4.81 135.00 132.81 1j3g s PRO 39 Ca 0.00 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 61.39 1j3g s PRO 39 Cb 0.00 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1j3g s PRO 39 CO 0.00 0.44 2.55 -0.35 0.04 0.00 0.00 177.00 179.68 1j3g n PRO 40 N 0.53 1.72 -0.09 0.56 -0.04 -1.26 -4.70 135.00 131.72 1j3g n PRO 40 Ca -0.04 -1.09 -0.07 0.00 -0.04 0.00 0.00 63.50 62.26 1j3g n PRO 40 Cb 0.52 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 1j3g n PRO 40 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1j3g h GLY 41 N 3.54 -1.52 -5.80 0.55 0.00 -1.98 -3.43 103.07 94.43 1j3g h GLY 41 Ca 0.20 0.80 -0.09 0.00 0.00 0.00 0.00 47.33 48.23 1j3g h GLY 41 CO 0.42 -0.44 -0.34 -0.54 0.00 0.00 0.00 176.54 175.64 1j3g s GLU 42 N -4.31 0.35 -0.02 4.80 2.02 -1.26 -5.13 118.70 115.15 1j3g s GLU 42 Ca -0.07 0.99 -0.29 0.00 0.02 0.00 0.00 54.97 55.61 1j3g s GLU 42 Cb 0.04 0.25 0.11 0.00 0.10 0.00 0.00 34.13 34.63 1j3g s GLU 42 CO 0.31 -0.22 1.29 -0.06 0.02 0.00 0.00 175.26 176.60 1j3g s PHE 43 N 2.29 0.00 -0.09 1.61 0.08 -1.26 -5.05 117.98 115.56 1j3g s PHE 43 Ca -0.04 -0.11 0.16 0.00 0.12 0.00 0.00 56.93 57.06 1j3g s PHE 43 Cb -0.11 0.55 0.34 0.00 -0.57 0.00 0.00 43.02 43.24 1j3g s PHE 43 CO -0.13 -0.26 1.16 0.41 -0.10 0.00 0.00 175.22 176.30 1j3g n GLY 44 N -0.74 2.84 3.54 4.36 0.00 -1.26 -5.03 105.19 108.90 1j3g n GLY 44 Ca -0.01 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -2.38 1.92 0.41 -0.02 0.00 -1.26 -5.00 107.32 100.98 1j3g s GLY 45 Ca 0.30 -1.21 0.29 0.00 0.00 0.00 0.00 44.72 44.10 1j3g s GLY 45 CO -0.08 0.68 1.86 -0.56 0.00 0.00 0.00 173.10 174.99 1j3g h PRO 46 N 8.39 0.00 -0.42 2.90 0.13 -2.00 -3.13 132.00 137.87 1j3g h PRO 46 Ca -0.34 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1j3g h PRO 46 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1j3g h PRO 46 CO 0.58 0.00 0.00 2.35 -0.23 0.00 0.00 178.00 180.71 1j3g h TRP 47 N 0.00 0.80 -0.18 1.56 2.91 -1.98 0.23 115.95 119.29 1j3g h TRP 47 Ca 0.00 -0.14 -0.03 0.00 1.13 0.00 0.00 58.89 59.86 1j3g h TRP 47 Cb 0.45 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 1j3g h TRP 47 CO 0.00 0.80 0.01 0.82 -1.03 0.00 0.00 178.44 179.03 1j3g h ILE 48 N 0.57 1.25 -0.37 2.65 1.08 -1.86 -2.63 117.51 118.19 1j3g h ILE 48 Ca 0.12 -0.83 -0.08 0.00 -0.39 0.00 0.00 64.86 63.68 1j3g h ILE 48 Cb 0.48 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 1j3g h ILE 48 CO 0.02 0.25 -0.10 -0.78 -0.69 0.00 0.00 178.15 176.85 1j3g h ASP 49 N 0.07 0.63 -0.48 1.72 3.58 -1.63 -2.63 116.42 117.67 1j3g h ASP 49 Ca 0.05 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.39 1j3g h ASP 49 Cb 0.37 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1j3g h ASP 49 CO 0.01 0.77 0.32 0.00 -2.88 0.00 0.00 179.24 177.46 1j3g h ALA 50 N 1.30 1.91 0.46 -0.78 0.00 -0.78 -0.93 119.26 120.45 1j3g h ALA 50 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1j3g h ALA 50 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1j3g h ALA 50 CO 0.03 0.01 -0.22 1.25 0.00 0.00 0.00 179.25 180.32 1j3g h LEU 51 N 0.43 -0.52 -0.27 0.00 7.12 -1.10 0.29 115.31 121.26 1j3g h LEU 51 Ca 0.21 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 58.18 1j3g h LEU 51 Cb 0.29 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1j3g h LEU 51 CO -0.05 -0.36 -0.03 -0.26 -0.13 0.00 0.00 178.44 177.61 1j3g h PHE 52 N -0.64 0.55 -0.73 1.25 -1.00 -1.45 -2.85 116.94 112.07 1j3g h PHE 52 Ca -0.06 -0.11 -0.05 0.00 2.81 0.00 0.00 57.97 60.56 1j3g h PHE 52 Cb 0.48 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1j3g h PHE 52 CO -0.04 0.67 0.25 0.00 -1.61 0.00 0.00 178.31 177.58 1j3g h THR 53 N 0.26 1.26 0.00 -1.55 1.03 -1.26 -3.47 112.91 109.17 1j3g h THR 53 Ca 0.07 -0.86 0.00 0.00 -0.01 0.00 0.00 66.41 65.61 1j3g h THR 53 Cb 0.47 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 67.98 1j3g h THR 53 CO 0.02 0.34 0.00 0.61 -0.01 0.00 0.00 175.52 176.48 1j3g n GLY 54 N -0.83 1.02 0.58 2.99 0.00 -0.08 -5.02 105.19 103.85 1j3g n GLY 54 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1j3g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3g n THR 55 N -0.57 0.39 -1.67 2.61 -2.24 -0.22 -4.94 114.28 107.65 1j3g n THR 55 Ca 0.00 -0.41 -0.44 0.00 -2.27 0.00 0.00 64.05 60.93 1j3g n THR 55 Cb 0.00 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.40 1.20 -4.21 2.28 3.06 -0.97 -4.97 119.36 116.16 1j3g n ILE 56 Ca 0.12 -0.30 -0.35 0.00 -2.50 0.00 0.00 62.75 59.72 1j3g n ILE 56 Cb 0.28 -1.46 -0.09 0.00 0.54 0.00 0.00 39.64 38.91 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 0.13 5.48 -0.99 9.51 -1.08 -1.26 -5.03 116.67 123.42 1j3g s ASP 57 Ca 0.65 0.16 -0.07 0.00 -0.52 0.00 0.00 52.55 52.76 1j3g s ASP 57 Cb -0.64 -1.72 -0.06 0.00 -1.46 0.00 0.00 42.92 39.04 1j3g s ASP 57 CO 0.53 0.31 2.19 -0.81 0.52 0.00 0.00 175.17 177.91 1j3g n PRO 58 N 2.58 2.23 -0.11 4.34 -0.04 -1.26 -4.43 135.00 138.31 1j3g n PRO 58 Ca -0.18 -1.58 -0.24 0.00 -0.04 0.00 0.00 63.50 61.46 1j3g n PRO 58 Cb 0.53 -2.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.37 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 4.40 1.68 0.10 3.54 4.05 -1.26 -4.76 115.26 123.02 1j3g n ASN 59 Ca 0.49 0.25 -0.07 0.00 0.45 0.00 0.00 54.58 55.70 1j3g n ASN 59 Cb 0.16 -0.65 -0.04 0.00 1.23 0.00 0.00 39.78 40.49 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1j3g h ALA 60 N -0.75 -0.88 -2.78 5.20 0.00 -2.04 -3.48 119.26 114.53 1j3g h ALA 60 Ca -0.58 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.33 1j3g h ALA 60 Cb 1.53 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1j3g h ALA 60 CO -0.33 -0.90 0.40 -3.38 0.00 0.00 0.00 179.25 175.05 1j3g s HIS 61 N -4.03 0.07 0.07 0.00 -3.43 -1.26 -5.08 115.29 101.63 1j3g s HIS 61 Ca -0.06 -0.61 -0.17 0.00 -0.80 0.00 0.00 55.06 53.42 1j3g s HIS 61 Cb 0.02 0.77 -0.12 0.00 -1.43 0.00 0.00 32.58 31.82 1j3g s HIS 61 CO 0.22 -1.26 1.36 -1.00 -2.00 0.00 0.00 174.74 172.06 1j3g h PRO 62 N 2.00 0.57 0.03 -0.38 0.13 -1.92 -3.20 132.00 129.23 1j3g h PRO 62 Ca -0.29 -0.33 0.03 0.00 -0.87 0.00 0.00 66.00 64.54 1j3g h PRO 62 Cb 1.24 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 1j3g h PRO 62 CO 0.37 0.92 -0.44 -0.92 -0.23 0.00 0.00 178.00 177.70 1j3g h TYR 63 N 0.25 -1.26 0.09 1.56 5.03 -1.98 0.15 116.97 120.80 1j3g h TYR 63 Ca 0.03 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 1j3g h TYR 63 Cb 0.85 0.55 -0.00 0.00 1.55 0.00 0.00 36.73 39.68 1j3g h TYR 63 CO 0.08 -0.52 -0.06 0.35 -1.32 0.00 0.00 178.16 176.69 1j3g h PHE 64 N -0.62 -0.16 -0.65 -3.82 3.04 -2.00 0.30 116.94 113.04 1j3g h PHE 64 Ca 0.03 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.02 1j3g h PHE 64 Cb 0.68 0.06 -0.05 0.00 2.56 0.00 0.00 35.95 39.20 1j3g h PHE 64 CO -0.43 -0.10 0.39 0.00 -2.02 0.00 0.00 178.31 176.15 1j3g h ALA 65 N 0.76 0.86 0.30 2.41 0.00 -1.53 -1.66 119.26 120.41 1j3g h ALA 65 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j3g h ALA 65 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1j3g h ALA 65 CO -0.00 0.11 -0.25 0.78 0.00 0.00 0.00 179.25 179.89 1j3g h GLY 66 N 0.74 -0.91 1.89 0.00 0.00 -0.28 -3.20 103.07 101.30 1j3g h GLY 66 Ca 0.28 0.40 0.01 0.00 0.00 0.00 0.00 47.33 48.02 1j3g h GLY 66 CO -0.14 -0.30 0.05 0.16 0.00 0.00 0.00 176.54 176.31 1j3g h ILE 67 N -0.53 0.53 -0.94 2.60 -0.00 -0.80 -2.88 117.51 115.49 1j3g h ILE 67 Ca -0.04 0.00 0.29 0.00 -0.00 0.00 0.00 64.86 65.11 1j3g h ILE 67 Cb 0.45 0.96 -0.16 0.00 -0.00 0.00 0.00 36.82 38.07 1j3g h ILE 67 CO 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 178.15 178.48 1j3g h ALA 68 N 1.95 1.56 -0.92 0.16 0.00 -1.30 0.15 119.26 120.86 1j3g h ALA 68 Ca 0.02 0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.29 1j3g h ALA 68 Cb 0.11 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1j3g h ALA 68 CO -0.00 -0.58 0.59 0.45 0.00 0.00 0.00 179.25 179.71 1j3g h HIS 69 N 0.18 0.96 -3.38 0.00 3.86 -1.68 -3.39 115.15 111.69 1j3g h HIS 69 Ca 0.65 0.03 -0.55 0.00 -1.16 0.00 0.00 60.37 59.33 1j3g h HIS 69 Cb 1.43 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 29.55 1j3g h HIS 69 CO -0.20 0.40 0.08 -0.51 0.86 0.00 0.00 177.93 178.56 1j3g s LEU 70 N -9.97 4.45 0.80 2.43 1.02 0.54 -5.07 118.68 112.88 1j3g s LEU 70 Ca -0.11 1.34 -0.11 0.00 0.02 0.00 0.00 54.13 55.27 1j3g s LEU 70 Cb 0.22 -3.10 0.08 0.00 0.02 0.00 0.00 46.19 43.40 1j3g s LEU 70 CO 0.80 0.07 1.12 0.00 0.02 0.00 0.00 176.35 178.36 1j3g s ARG 71 N -0.22 1.91 0.29 1.70 3.03 -1.26 -4.94 118.95 119.45 1j3g s ARG 71 Ca 0.35 1.37 0.10 0.00 2.03 0.00 0.00 55.73 59.58 1j3g s ARG 71 Cb -0.20 -1.84 -0.05 0.00 -1.03 0.00 0.00 34.95 31.83 1j3g s ARG 71 CO 0.21 -1.94 -0.07 0.14 -1.13 0.00 0.00 175.30 172.51 1j3g s VAL 72 N -2.68 2.85 -0.30 4.99 -7.23 -1.26 -4.90 120.40 111.88 1j3g s VAL 72 Ca 0.65 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.58 1j3g s VAL 72 Cb -0.20 -2.64 0.14 0.00 0.56 0.00 0.00 36.38 34.23 1j3g s VAL 72 CO 0.54 -0.33 0.85 -0.44 -0.31 0.00 0.00 175.10 175.42 1j3g s SER 73 N -3.63 -0.77 0.00 4.85 0.01 -1.19 -4.76 113.70 108.20 1j3g s SER 73 Ca 0.32 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1j3g s SER 73 Cb -0.04 1.74 0.00 0.00 0.21 0.00 0.00 66.02 67.93 1j3g s SER 73 CO 0.18 -0.16 0.00 0.00 0.41 0.00 0.00 173.24 173.67 1j3g n ALA 74 N 4.81 0.00 0.03 1.44 0.00 -1.26 -0.67 120.51 124.86 1j3g n ALA 74 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1j3g n ALA 74 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.42 -3.76 0.00 8.25 -1.12 -4.49 115.22 113.68 1j3g n HIS 75 Ca 0.00 0.07 -0.23 0.00 -0.26 0.00 0.00 57.72 57.30 1j3g n HIS 75 Cb 0.00 0.29 -0.17 0.00 1.12 0.00 0.00 29.99 31.23 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 1.97 3.00 -0.35 0.00 0.20 -0.07 -0.83 118.68 122.60 1j3g s LEU 77 Ca 0.05 -0.59 -0.13 0.00 0.69 0.00 0.00 54.13 54.15 1j3g s LEU 77 Cb -0.13 -1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 1j3g s LEU 77 CO -0.05 -0.07 0.24 -0.63 -0.29 0.00 0.00 176.35 175.55 1j3g s ILE 78 N 1.42 5.17 0.44 6.68 1.01 -0.65 -0.57 121.20 134.70 1j3g s ILE 78 Ca 0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 1j3g s ILE 78 Cb -0.15 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 1j3g s ILE 78 CO -0.04 -0.08 0.86 -0.60 0.00 0.00 0.00 174.94 175.09 1j3g s ARG 79 N 1.69 3.90 0.53 2.79 3.52 0.14 -0.50 118.95 131.03 1j3g s ARG 79 Ca 0.05 0.73 0.21 0.00 -0.13 0.00 0.00 55.73 56.59 1j3g s ARG 79 Cb -0.18 -2.28 1.16 0.00 -1.56 0.00 0.00 34.95 32.10 1j3g s ARG 79 CO 0.10 -0.11 1.61 0.07 -0.81 0.00 0.00 175.30 176.17 1j3g h ARG 80 N 1.28 0.00 -0.93 5.12 -0.00 -1.01 -1.76 114.38 117.08 1j3g h ARG 80 Ca -0.47 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.29 1j3g h ARG 80 Cb 1.18 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 31.02 1j3g h ARG 80 CO 0.63 0.00 0.28 -3.47 -0.00 0.00 0.00 179.97 177.41 1j3g n ASP 81 N -2.53 3.55 -3.37 0.08 2.03 -1.26 -3.65 116.55 111.40 1j3g n ASP 81 Ca -0.01 -2.84 -0.21 0.00 0.52 0.00 0.00 54.79 52.25 1j3g n ASP 81 Cb 0.39 -0.68 0.08 0.00 -0.72 0.00 0.00 41.12 40.20 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 -0.23 -0.42 3.67 0.27 0.00 -0.70 -5.02 105.19 102.77 1j3g n GLY 82 Ca 0.30 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -5.97 2.54 -0.21 1.61 2.02 -1.00 -4.88 118.70 112.81 1j3g s GLU 83 Ca 0.40 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 1j3g s GLU 83 Cb -0.18 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1j3g s GLU 83 CO 0.68 0.55 -0.11 0.42 0.02 0.00 0.00 175.26 176.82 1j3g s ILE 84 N -1.27 2.71 0.06 -1.63 1.01 -1.26 -0.68 121.20 120.14 1j3g s ILE 84 Ca 0.24 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 60.16 1j3g s ILE 84 Cb -0.12 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1j3g s ILE 84 CO 0.17 0.43 -0.07 -0.69 0.00 0.00 0.00 174.94 174.78 1j3g s VAL 85 N 1.37 3.58 -0.13 2.92 1.01 0.27 -0.68 120.40 128.74 1j3g s VAL 85 Ca 0.04 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1j3g s VAL 85 Cb -0.14 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1j3g s VAL 85 CO -0.08 0.22 -0.13 -1.58 0.00 0.00 0.00 175.10 173.53 1j3g s GLN 86 N -1.93 2.13 -0.23 2.72 -0.44 0.06 -0.89 119.66 121.08 1j3g s GLN 86 Ca 0.21 -0.51 0.02 0.00 -2.50 0.00 0.00 55.36 52.58 1j3g s GLN 86 Cb -0.11 -1.92 0.05 0.00 -1.64 0.00 0.00 33.01 29.38 1j3g s GLN 86 CO 0.12 -0.17 -0.13 0.71 0.50 0.00 0.00 175.29 176.32 1j3g s TYR 87 N 1.32 2.95 -0.00 1.67 1.51 -0.45 -0.67 117.35 123.67 1j3g s TYR 87 Ca 0.00 -1.98 -0.00 0.00 -1.01 0.00 0.00 57.07 54.08 1j3g s TYR 87 Cb -0.14 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1j3g s TYR 87 CO -0.07 -0.83 0.00 0.28 -1.11 0.00 0.00 175.55 173.82 1j3g n VAL 88 N 4.54 -2.29 -0.25 0.71 0.31 -1.26 -2.79 118.33 117.30 1j3g n VAL 88 Ca -0.16 0.02 -0.18 0.00 -0.01 0.00 0.00 64.34 64.01 1j3g n VAL 88 Cb 0.45 -3.92 0.17 0.00 -0.91 0.00 0.00 33.84 29.63 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 0.01 -3.46 0.00 5.55 -0.04 -1.26 -4.62 135.00 131.17 1j3g n PRO 89 Ca -0.00 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1j3g n PRO 89 Cb 0.00 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1j3g n PRO 89 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j3g n PHE 90 N -4.53 0.00 -3.97 0.54 3.01 -1.26 -4.48 117.46 106.76 1j3g n PHE 90 Ca 0.08 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.24 1j3g n PHE 90 Cb 0.35 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.66 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1j3g s ASP 91 N -1.87 3.20 0.00 4.37 2.15 -1.26 -4.89 116.67 118.37 1j3g s ASP 91 Ca 0.00 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.18 1j3g s ASP 91 Cb 0.00 -1.15 0.00 0.00 -0.30 0.00 0.00 42.92 41.47 1j3g s ASP 91 CO 0.00 -0.15 0.00 1.17 -0.17 0.00 0.00 175.17 176.02 1j3g n LYS 92 N 4.74 0.00 -0.89 4.34 3.00 -1.26 -5.02 118.16 123.07 1j3g n LYS 92 Ca -0.14 0.35 -0.31 0.00 -0.00 0.00 0.00 58.31 58.21 1j3g n LYS 92 Cb 0.47 -0.99 -0.02 0.00 0.00 0.00 0.00 35.03 34.49 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 -0.28 0.00 -2.94 1.64 0.63 -1.26 -4.82 116.66 109.63 1j3g n ARG 93 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1j3g n ARG 93 Cb 0.00 -0.69 0.04 0.00 0.45 0.00 0.00 32.46 32.26 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j3g n ALA 94 N 0.18 0.92 -3.59 5.13 0.00 -1.26 -3.98 120.51 117.91 1j3g n ALA 94 Ca 0.12 -1.79 -0.05 0.00 0.00 0.00 0.00 53.44 51.71 1j3g n ALA 94 Cb 0.14 0.58 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.12 -1.03 -0.46 0.00 -0.00 0.15 -4.61 118.94 110.88 1j3g s TRP 95 Ca 0.42 1.72 0.06 0.00 -0.00 0.00 0.00 56.10 58.31 1j3g s TRP 95 Cb -0.03 0.45 0.30 0.00 -0.00 0.00 0.00 33.47 34.19 1j3g s TRP 95 CO 0.27 -0.59 1.01 -2.39 -0.00 0.00 0.00 176.95 175.25 1j3g n HIS 96 N 5.41 -2.76 0.13 5.86 1.44 -1.24 -3.19 115.22 120.86 1j3g n HIS 96 Ca -0.09 -2.16 0.00 0.00 -2.01 0.00 0.00 57.72 53.46 1j3g n HIS 96 Cb 0.49 1.44 0.00 0.00 0.12 0.00 0.00 29.99 32.04 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 0.75 0.00 0.00 1.59 0.00 -1.26 -4.91 120.51 116.68 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 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1j3g n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3g n GLY 98 N -1.38 2.42 3.25 0.00 0.00 -1.26 -4.99 105.19 103.24 1j3g n GLY 98 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 0.04 -0.02 1.61 1.01 -1.26 -3.65 120.40 118.12 1j3g s VAL 99 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1j3g s VAL 99 Cb 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.85 1j3g s VAL 99 CO 0.00 -0.17 0.54 -0.94 0.00 0.00 0.00 175.10 174.53 1j3g s SER 100 N -0.81 -0.48 -0.02 3.32 1.04 -1.11 -4.83 113.70 110.81 1j3g s SER 100 Ca -0.09 0.44 -0.05 0.00 0.48 0.00 0.00 55.95 56.73 1j3g s SER 100 Cb -0.04 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1j3g s SER 100 CO 0.03 -0.58 0.11 -0.94 0.98 0.00 0.00 173.24 172.85 1j3g s SER 101 N -1.35 -0.02 -0.12 7.02 1.04 -1.26 -0.61 113.70 118.41 1j3g s SER 101 Ca -0.11 -0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.06 1j3g s SER 101 Cb -0.02 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.37 1j3g s SER 101 CO 0.06 -0.22 0.54 -0.47 0.98 0.00 0.00 173.24 174.13 1j3g s TYR 102 N -0.78 -0.52 -1.39 5.02 5.04 -0.25 -4.28 117.35 120.18 1j3g s TYR 102 Ca -0.09 1.10 -0.13 0.00 -2.44 0.00 0.00 57.07 55.51 1j3g s TYR 102 Cb -0.05 0.24 0.01 0.00 0.35 0.00 0.00 41.96 42.52 1j3g s TYR 102 CO 0.01 -0.41 0.34 1.04 -1.34 0.00 0.00 175.55 175.18 1j3g n GLN 103 N 1.87 -1.10 -2.27 4.97 6.02 -1.26 -1.17 117.38 124.45 1j3g n GLN 103 Ca -0.17 0.16 -0.20 0.00 -0.01 0.00 0.00 57.00 56.77 1j3g n GLN 103 Cb 0.56 -3.42 -0.02 0.00 1.02 0.00 0.00 30.24 28.38 1j3g n GLN 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j3g n GLY 104 N -2.28 -0.10 2.84 1.08 0.00 -1.26 -4.98 105.19 100.50 1j3g n GLY 104 Ca -0.24 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.82 1.14 -0.14 1.61 6.06 -0.32 -5.12 118.95 117.35 1j3g s ARG 105 Ca 0.00 -0.31 -0.06 0.00 -2.50 0.00 0.00 55.73 52.87 1j3g s ARG 105 Cb 0.00 -1.70 -0.04 0.00 0.06 0.00 0.00 34.95 33.27 1j3g s ARG 105 CO 0.00 -0.40 0.06 -2.00 -2.50 0.00 0.00 175.30 170.46 1j3g s GLU 106 N 1.76 3.57 -0.27 5.12 2.12 -1.26 -1.09 118.70 128.64 1j3g s GLU 106 Ca 0.02 -0.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.97 1j3g s GLU 106 Cb -0.14 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1j3g s GLU 106 CO -0.07 0.52 0.10 1.03 -0.54 0.00 0.00 175.26 176.30 1j3g s ARG 107 N -0.34 3.52 0.58 4.30 0.52 0.22 -4.97 118.95 122.78 1j3g s ARG 107 Ca 0.09 -0.58 0.29 0.00 -0.52 0.00 0.00 55.73 55.01 1j3g s ARG 107 Cb -0.12 -3.41 1.75 0.00 0.52 0.00 0.00 34.95 33.69 1j3g s ARG 107 CO 0.02 -0.28 2.23 0.00 0.02 0.00 0.00 175.30 177.29 1j3g s ASN 109 N -6.21 -0.12 -1.29 0.00 0.02 -1.24 -4.46 114.94 101.64 1j3g s ASN 109 Ca -0.05 -0.86 -0.14 0.00 -1.02 0.00 0.00 52.86 50.79 1j3g s ASN 109 Cb 0.15 0.64 0.11 0.00 0.02 0.00 0.00 41.25 42.17 1j3g s ASN 109 CO 0.56 -1.22 1.74 -0.67 0.02 0.00 0.00 177.10 177.53 1j3g n ASP 110 N -0.45 4.88 -2.25 -1.22 -0.08 -1.26 -4.74 116.55 111.44 1j3g n ASP 110 Ca -0.02 -2.96 -0.28 0.00 -1.51 0.00 0.00 54.79 50.02 1j3g n ASP 110 Cb 0.61 -1.63 0.14 0.00 2.34 0.00 0.00 41.12 42.58 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 6.35 3.10 -4.31 -0.67 1.16 -1.26 -3.97 117.46 117.87 1j3g n PHE 111 Ca 0.44 -2.28 -0.18 0.00 -1.87 0.00 0.00 57.45 53.56 1j3g n PHE 111 Cb 0.42 -1.12 -0.14 0.00 -1.61 0.00 0.00 39.48 37.03 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 -1.52 1.15 -1.09 5.98 0.01 -1.26 -4.57 113.70 112.40 1j3g s SER 112 Ca 0.60 -0.28 -0.08 0.00 1.31 0.00 0.00 55.95 57.49 1j3g s SER 112 Cb 0.49 -0.09 -0.14 0.00 0.21 0.00 0.00 66.02 66.49 1j3g s SER 112 CO 0.06 0.05 3.08 0.00 0.41 0.00 0.00 173.24 176.84 1j3g n ILE 113 N 2.45 3.76 0.00 1.44 0.00 -1.26 -4.86 119.36 120.89 1j3g n ILE 113 Ca -0.16 -2.16 0.00 0.00 0.00 0.00 0.00 62.75 60.43 1j3g n ILE 113 Cb 0.56 -2.39 0.00 0.00 0.00 0.00 0.00 39.64 37.81 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 0.89 3.21 4.50 0.00 -1.22 -4.78 105.19 111.06 1j3g n GLY 114 Ca 0.65 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 0.12 0.09 -0.08 -0.61 -1.09 -1.26 -4.36 121.20 114.00 1j3g s ILE 115 Ca 0.00 -1.73 -0.07 0.00 -2.23 0.00 0.00 60.65 56.62 1j3g s ILE 115 Cb 0.00 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 38.93 1j3g s ILE 115 CO 0.00 -0.41 0.21 -0.70 -1.23 0.00 0.00 174.94 172.81 1j3g s GLU 116 N -4.02 0.23 0.05 2.79 2.12 -0.01 -3.45 118.70 116.42 1j3g s GLU 116 Ca 0.22 0.32 -0.00 0.00 0.36 0.00 0.00 54.97 55.87 1j3g s GLU 116 Cb 0.06 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 1j3g s GLU 116 CO 0.01 -0.05 0.18 -0.51 -0.54 0.00 0.00 175.26 174.35 1j3g s LEU 117 N 0.27 4.26 -0.02 2.70 1.02 -1.08 -1.64 118.68 124.19 1j3g s LEU 117 Ca -0.01 0.24 0.06 0.00 0.02 0.00 0.00 54.13 54.44 1j3g s LEU 117 Cb -0.03 -2.79 -0.01 0.00 0.02 0.00 0.00 46.19 43.38 1j3g s LEU 117 CO -0.01 0.19 -0.20 -0.70 0.02 0.00 0.00 176.35 175.65 1j3g s GLU 118 N -2.35 1.65 0.30 1.70 2.12 0.35 -2.08 118.70 120.39 1j3g s GLU 118 Ca 0.32 -0.72 -0.09 0.00 0.36 0.00 0.00 54.97 54.84 1j3g s GLU 118 Cb -0.13 -1.59 0.04 0.00 0.26 0.00 0.00 34.13 32.71 1j3g s GLU 118 CO 0.25 0.43 0.55 0.41 -0.54 0.00 0.00 175.26 176.36 1j3g n GLY 119 N 2.61 1.47 2.76 -1.50 0.00 -1.15 -0.40 105.19 108.99 1j3g n GLY 119 Ca -0.15 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.41 -0.36 -1.41 2.61 -4.23 -1.26 -4.49 115.64 104.09 1j3g s THR 120 Ca 0.15 -0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.39 1j3g s THR 120 Cb -0.03 -0.75 0.04 0.00 1.34 0.00 0.00 72.50 73.10 1j3g s THR 120 CO 0.11 -0.25 0.96 -0.67 -0.54 0.00 0.00 174.62 174.23 1j3g n ASP 121 N 5.32 -3.97 -3.86 3.99 2.03 -1.26 -1.67 116.55 117.13 1j3g n ASP 121 Ca -0.05 -0.72 -0.30 0.00 0.52 0.00 0.00 54.79 54.23 1j3g n ASP 121 Cb 0.49 -4.30 -0.00 0.00 -0.72 0.00 0.00 41.12 36.59 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 -4.60 -1.30 -1.99 5.18 -2.24 -1.26 -4.94 114.28 103.13 1j3g n THR 122 Ca -0.08 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1j3g n THR 122 Cb 0.59 -2.07 -0.02 0.00 -2.10 0.00 0.00 70.33 66.73 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 -7.02 4.38 -0.15 3.22 2.96 -0.67 -4.73 118.68 116.67 1j3g s LEU 123 Ca 0.62 2.73 -0.13 0.00 -0.22 0.00 0.00 54.13 57.12 1j3g s LEU 123 Cb -0.32 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 42.68 1j3g s LEU 123 CO 0.76 -0.71 0.57 0.00 -1.32 0.00 0.00 176.35 175.64 1j3g n ALA 124 N 1.94 -0.12 0.56 5.97 0.00 -1.26 -4.72 120.51 122.88 1j3g n ALA 124 Ca 0.05 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1j3g n ALA 124 Cb 0.40 -0.59 0.40 0.00 0.00 0.00 0.00 19.45 19.65 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 2.18 0.00 -4.66 0.00 0.05 -1.85 -3.41 116.97 109.27 1j3g h TYR 125 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1j3g h TYR 125 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1j3g h TYR 125 CO 0.25 0.00 -0.25 0.25 -1.05 0.00 0.00 178.16 177.36 1j3g n THR 126 N -2.35 -8.30 -0.09 -2.88 -2.24 -1.24 -4.40 114.28 92.78 1j3g n THR 126 Ca 0.05 0.41 0.07 0.00 -2.27 0.00 0.00 64.05 62.31 1j3g n THR 126 Cb 0.42 -6.27 0.12 0.00 -2.10 0.00 0.00 70.33 62.50 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 -0.71 0.02 -0.35 3.42 9.92 -1.26 -0.27 116.55 127.32 1j3g n ASP 127 Ca 0.06 0.20 0.27 0.00 -0.53 0.00 0.00 54.79 54.79 1j3g n ASP 127 Cb 0.38 -0.10 0.53 0.00 -0.64 0.00 0.00 41.12 41.29 1j3g n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j3g h ALA 128 N 0.22 2.16 -0.44 2.24 0.00 -1.98 -0.09 119.26 121.36 1j3g h ALA 128 Ca 0.15 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1j3g h ALA 128 Cb 0.52 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1j3g h ALA 128 CO -0.05 -0.78 -0.21 1.96 0.00 0.00 0.00 179.25 180.17 1j3g h GLN 129 N 0.24 -0.12 -0.76 0.00 4.20 -0.86 -0.14 115.11 117.67 1j3g h GLN 129 Ca 0.75 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.47 1j3g h GLN 129 Cb 1.91 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.68 1j3g h GLN 129 CO -0.56 -0.08 0.46 1.88 -0.67 0.00 0.00 178.83 179.86 1j3g h TYR 130 N -0.12 1.00 0.12 2.96 0.05 -1.23 0.20 116.97 119.94 1j3g h TYR 130 Ca 0.21 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 1j3g h TYR 130 Cb 0.45 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1j3g h TYR 130 CO -0.47 0.67 -0.06 1.96 -1.05 0.00 0.00 178.16 179.21 1j3g h GLN 131 N 1.04 -0.15 -0.40 4.88 4.20 -1.24 -0.55 115.11 122.89 1j3g h GLN 131 Ca 0.27 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.93 1j3g h GLN 131 Cb -0.04 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1j3g h GLN 131 CO -0.05 0.14 0.02 1.96 -0.67 0.00 0.00 178.83 180.22 1j3g h GLN 132 N -0.44 0.70 -0.11 1.46 4.20 -0.92 -2.39 115.11 117.60 1j3g h GLN 132 Ca -0.02 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.52 1j3g h GLN 132 Cb 0.36 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 1j3g h GLN 132 CO 0.03 0.78 -0.13 1.25 -0.67 0.00 0.00 178.83 180.09 1j3g h LEU 133 N 0.53 -0.40 -0.95 1.46 5.85 -0.63 -0.93 115.31 120.25 1j3g h LEU 133 Ca 0.12 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1j3g h LEU 133 Cb 0.45 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 1j3g h LEU 133 CO 0.02 -0.17 0.58 0.00 -0.34 0.00 0.00 178.44 178.53 1j3g h ALA 134 N 0.90 1.44 0.33 1.25 0.00 -0.90 0.26 119.26 122.53 1j3g h ALA 134 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1j3g h ALA 134 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1j3g h ALA 134 CO -0.21 0.15 -0.16 0.00 0.00 0.00 0.00 179.25 179.03 1j3g h ALA 135 N 1.53 -0.44 -0.20 0.00 0.00 -0.86 0.12 119.26 119.41 1j3g h ALA 135 Ca 0.48 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1j3g h ALA 135 Cb 0.52 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1j3g h ALA 135 CO -0.28 -0.71 -0.13 0.28 0.00 0.00 0.00 179.25 178.41 1j3g h VAL 136 N -0.51 0.62 -0.85 0.00 2.07 -0.40 -1.81 116.25 115.37 1j3g h VAL 136 Ca -0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.61 1j3g h VAL 136 Cb 0.39 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1j3g h VAL 136 CO 0.07 0.00 0.55 0.74 0.02 0.00 0.00 177.57 178.96 1j3g h THR 137 N -0.12 0.86 -0.32 2.57 2.02 -0.39 0.12 112.91 117.64 1j3g h THR 137 Ca 0.11 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1j3g h THR 137 Cb 0.29 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1j3g h THR 137 CO -0.27 0.12 0.20 0.78 0.37 0.00 0.00 175.52 176.72 1j3g h ASN 138 N 0.67 0.38 0.26 4.18 -0.26 0.09 0.71 115.58 121.62 1j3g h ASN 138 Ca 0.42 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 56.10 1j3g h ASN 138 Cb 0.67 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1j3g h ASN 138 CO -0.18 0.31 -0.13 0.00 -1.06 0.00 0.00 177.43 176.38 1j3g h ALA 139 N 1.09 -0.35 -0.95 -0.83 0.00 -0.85 -2.01 119.26 115.35 1j3g h ALA 139 Ca 0.12 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1j3g h ALA 139 Cb -0.00 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1j3g h ALA 139 CO -0.02 -0.65 0.61 -0.07 0.00 0.00 0.00 179.25 179.11 1j3g h LEU 140 N -0.43 0.90 -0.34 0.00 -0.00 -0.85 0.36 115.31 114.94 1j3g h LEU 140 Ca -0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1j3g h LEU 140 Cb 0.33 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 1j3g h LEU 140 CO 0.06 0.53 0.06 0.40 -0.00 0.00 0.00 178.44 179.49 1j3g h ILE 141 N 0.99 1.23 0.00 1.22 2.04 -0.79 0.77 117.51 122.97 1j3g h ILE 141 Ca 0.44 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1j3g h ILE 141 Cb 0.37 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1j3g h ILE 141 CO -0.20 0.27 0.00 0.74 0.00 0.00 0.00 178.15 178.96 1j3g h THR 142 N 0.40 0.00 0.00 -0.27 2.02 -0.48 -2.69 112.91 111.90 1j3g h THR 142 Ca 0.11 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1j3g h THR 142 Cb 0.34 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1j3g h THR 142 CO 0.01 0.00 -0.14 0.03 0.37 0.00 0.00 175.52 175.78 1j3g h ARG 143 N 0.00 0.00 -4.38 6.66 2.47 -0.41 -3.46 114.38 115.26 1j3g h ARG 143 Ca 0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 1j3g h ARG 143 Cb 0.28 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.22 1j3g h ARG 143 CO 0.00 0.00 -0.80 0.71 0.56 0.00 0.00 179.97 180.44 1j3g s TYR 144 N -1.57 2.22 -0.48 3.04 2.02 0.21 -5.09 117.35 117.71 1j3g s TYR 144 Ca -0.04 -1.52 -0.22 0.00 -0.37 0.00 0.00 57.07 54.92 1j3g s TYR 144 Cb 0.01 -1.53 0.04 0.00 -0.40 0.00 0.00 41.96 40.07 1j3g s TYR 144 CO 0.06 -0.72 0.73 -1.25 -1.57 0.00 0.00 175.55 172.80 1j3g s PRO 145 N 1.46 3.27 0.10 -1.71 0.04 -1.02 -4.25 135.00 132.90 1j3g s PRO 145 Ca -0.02 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1j3g s PRO 145 Cb -0.17 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1j3g s PRO 145 CO -0.07 -1.19 0.00 0.00 0.04 0.00 0.00 177.00 175.78 1j3g n ALA 146 N 6.59 1.16 -0.39 8.56 0.00 -1.26 -4.94 120.51 130.23 1j3g n ALA 146 Ca -0.01 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.76 1j3g n ALA 146 Cb 0.47 0.00 0.65 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 0.33 -0.49 0.00 2.04 -1.77 -0.42 117.51 117.20 1j3g h ILE 147 Ca 0.00 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 65.95 1j3g h ILE 147 Cb 0.00 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 1j3g h ILE 147 CO 0.00 0.03 0.52 0.00 0.00 0.00 0.00 178.15 178.69 1j3g h ALA 148 N 1.50 2.23 0.00 1.87 0.00 -1.92 -1.22 119.26 121.72 1j3g h ALA 148 Ca 0.68 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.52 1j3g h ALA 148 Cb 2.24 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.95 1j3g h ALA 148 CO -0.22 -0.77 -0.60 0.09 0.00 0.00 0.00 179.25 177.75 1j3g n ASN 149 N -3.72 0.69 -3.45 0.00 3.02 -0.19 -4.66 115.26 106.95 1j3g n ASN 149 Ca 0.09 -2.26 -0.28 0.00 -0.03 0.00 0.00 54.58 52.11 1j3g n ASN 149 Cb 0.71 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.67 2.16 -0.12 6.41 -0.87 -0.46 -5.06 114.94 115.32 1j3g s ASN 150 Ca 0.16 -2.81 0.00 0.00 -1.57 0.00 0.00 52.86 48.65 1j3g s ASN 150 Cb 0.17 -0.51 0.02 0.00 -0.02 0.00 0.00 41.25 40.92 1j3g s ASN 150 CO -0.05 -0.21 -0.11 -0.04 -2.57 0.00 0.00 177.10 174.11 1j3g s MET 151 N 0.32 1.88 0.02 -0.60 -1.94 -1.26 -2.47 119.30 115.25 1j3g s MET 151 Ca 0.27 -0.40 -0.00 0.00 -1.71 0.00 0.00 55.69 53.85 1j3g s MET 151 Cb -0.06 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 34.98 1j3g s MET 151 CO -0.12 -0.23 0.03 -2.37 -0.01 0.00 0.00 175.02 172.32 1j3g n THR 152 N 4.77 0.00 0.00 2.05 5.66 -0.78 -5.02 114.28 120.96 1j3g n THR 152 Ca -0.15 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1j3g n THR 152 Cb 0.50 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 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 -0.03 3.95 0.01 1.09 0.00 -1.26 -0.36 105.19 108.59 1j3g n GLY 153 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 0.84 1.61 -0.00 -0.28 -4.46 115.22 112.93 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 -0.21 -0.07 0.00 -0.00 0.00 0.00 29.99 29.71 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 -1.05 3.31 0.15 0.00 4.05 -1.10 -4.33 115.26 116.29 1j3g n ASN 156 Ca 0.05 -2.67 0.12 0.00 0.45 0.00 0.00 54.58 52.52 1j3g n ASN 156 Cb 0.31 -0.64 0.54 0.00 1.23 0.00 0.00 39.78 41.22 1j3g n ASN 156 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1j3g n ILE 157 N -0.15 0.91 0.08 -1.44 -0.00 -1.26 -4.58 119.36 112.91 1j3g n ILE 157 Ca 0.25 0.45 0.00 0.00 -0.00 0.00 0.00 62.75 63.44 1j3g n ILE 157 Cb 0.97 -1.41 0.00 0.00 -0.00 0.00 0.00 39.64 39.20 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 -1.79 0.50 -2.59 -1.28 0.00 -1.26 -4.62 120.51 109.47 1j3g n ALA 158 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 1j3g n ALA 158 Cb 0.15 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 -2.00 3.33 0.29 0.00 0.04 -1.26 -4.93 135.00 130.46 1j3g s PRO 159 Ca 0.00 -0.29 0.22 0.00 0.04 0.00 0.00 61.00 60.97 1j3g s PRO 159 Cb 0.00 -3.98 1.07 0.00 0.04 0.00 0.00 34.50 31.63 1j3g s PRO 159 CO 0.00 -1.18 1.67 -1.91 0.04 0.00 0.00 177.00 175.61 1j3g n GLU 160 N 6.70 0.16 0.00 4.56 2.13 -1.26 -1.77 120.64 131.16 1j3g n GLU 160 Ca 0.00 0.55 0.08 0.00 0.66 0.00 0.00 57.16 58.45 1j3g n GLU 160 Cb 0.48 -1.91 0.40 0.00 0.27 0.00 0.00 31.44 30.67 1j3g n GLU 160 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1j3g n ARG 161 N -2.23 0.20 -4.09 5.31 3.00 -1.26 -4.61 116.66 112.98 1j3g n ARG 161 Ca 0.00 0.15 -0.15 0.00 -0.00 0.00 0.00 57.85 57.85 1j3g n ARG 161 Cb 0.11 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 30.93 1j3g n ARG 161 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1j3g s LYS 162 N -2.63 0.34 0.00 -0.14 1.02 -0.73 -4.98 119.74 112.62 1j3g s LYS 162 Ca 0.14 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.93 1j3g s LYS 162 Cb 0.11 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.12 1j3g s LYS 162 CO 0.25 0.08 0.00 2.41 -0.92 0.00 0.00 175.35 177.17 1j3g n THR 163 N 2.82 0.00 -3.97 2.17 -1.04 -1.26 -2.70 114.28 110.30 1j3g n THR 163 Ca -0.14 -0.06 0.02 0.00 -2.04 0.00 0.00 64.05 61.83 1j3g n THR 163 Cb 0.58 0.44 0.01 0.00 -1.82 0.00 0.00 70.33 69.55 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 -0.48 -1.13 -3.40 8.00 2.03 -1.26 -1.09 116.55 119.21 1j3g n ASP 164 Ca 0.00 -1.30 -0.35 0.00 0.52 0.00 0.00 54.79 53.66 1j3g n ASP 164 Cb 0.00 1.77 -0.02 0.00 -0.72 0.00 0.00 41.12 42.15 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 -0.80 2.81 0.00 -0.67 -0.04 -1.26 -3.91 135.00 131.13 1j3g n PRO 165 Ca 0.03 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1j3g n PRO 165 Cb 0.52 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 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 3.85 -0.10 0.00 0.55 0.00 -1.26 -5.05 105.19 103.19 1j3g n GLY 166 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -3.82 1.61 -0.04 -1.25 -4.33 135.00 127.17 1j3g n PRO 167 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1j3g n PRO 167 Cb 0.00 -0.01 0.03 0.00 -0.04 0.00 0.00 33.50 33.48 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 -3.50 -1.27 3.54 2.88 -1.26 -4.90 113.62 109.11 1j3g n SER 168 Ca 0.00 -0.78 0.08 0.00 -1.33 0.00 0.00 58.87 56.84 1j3g n SER 168 Cb 0.00 -4.00 0.31 0.00 -0.75 0.00 0.00 64.21 59.77 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 -4.55 1.32 -3.36 0.66 7.35 -1.26 -5.02 117.46 112.61 1j3g n PHE 169 Ca -0.09 -0.77 -0.28 0.00 -0.76 0.00 0.00 57.45 55.55 1j3g n PHE 169 Cb 0.59 -0.34 0.03 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 0.13 -6.03 -0.16 -2.13 -0.08 -1.26 -4.53 116.55 102.49 1j3g n ASP 170 Ca 0.23 0.06 0.12 0.00 -1.51 0.00 0.00 54.79 53.70 1j3g n ASP 170 Cb 0.95 -2.15 0.45 0.00 2.34 0.00 0.00 41.12 42.71 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 2.38 0.58 -0.25 -0.67 4.06 -1.96 -1.17 115.95 118.92 1j3g h TRP 171 Ca -0.39 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.54 1j3g h TRP 171 Cb 1.25 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1j3g h TRP 171 CO 0.01 0.25 0.01 0.00 -3.56 0.00 0.00 178.44 175.15 1j3g h ALA 172 N 1.64 0.34 0.60 1.49 0.00 -1.99 -0.97 119.26 120.38 1j3g h ALA 172 Ca 0.35 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1j3g h ALA 172 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1j3g h ALA 172 CO -0.12 0.06 -0.34 0.00 0.00 0.00 0.00 179.25 178.85 1j3g h ARG 173 N 0.22 -0.85 0.27 0.00 2.47 -1.60 -2.37 114.38 112.52 1j3g h ARG 173 Ca 0.07 0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1j3g h ARG 173 Cb 0.40 0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1j3g h ARG 173 CO 0.01 -0.56 -0.17 0.35 0.56 0.00 0.00 179.97 180.16 1j3g h PHE 174 N -0.88 -0.44 -0.35 3.04 3.57 -1.28 -2.19 116.94 118.41 1j3g h PHE 174 Ca -0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1j3g h PHE 174 Cb 0.70 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1j3g h PHE 174 CO -0.07 -0.26 0.14 -0.09 -2.23 0.00 0.00 178.31 175.80 1j3g h ARG 175 N -0.42 0.48 -0.44 1.11 1.12 -1.22 -0.37 114.38 114.63 1j3g h ARG 175 Ca -0.03 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.71 1j3g h ARG 175 Cb 0.35 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1j3g h ARG 175 CO 0.02 0.40 -0.04 0.00 -3.11 0.00 0.00 179.97 177.24 1j3g h ALA 176 N 1.68 0.60 0.10 2.80 0.00 -1.23 -3.35 119.26 119.85 1j3g h ALA 176 Ca 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1j3g h ALA 176 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1j3g h ALA 176 CO -0.01 0.43 -0.05 -0.07 0.00 0.00 0.00 179.25 179.55 1j3g h LEU 177 N 0.64 -0.11-10.29 0.00 3.38 -0.71 -3.44 115.31 104.78 1j3g h LEU 177 Ca 0.12 -0.41 -0.47 0.00 0.09 0.00 0.00 57.88 57.21 1j3g h LEU 177 Cb 0.56 0.03 0.17 0.00 0.09 0.00 0.00 40.66 41.51 1j3g h LEU 177 CO 0.03 0.38 0.18 -0.69 0.09 0.00 0.00 178.44 178.43 1j3g s VAL 178 N -4.09 2.32 -0.46 1.22 1.01 -0.22 -4.89 120.40 115.29 1j3g s VAL 178 Ca -0.15 0.10 -0.43 0.00 0.00 0.00 0.00 61.98 61.50 1j3g s VAL 178 Cb 0.01 -2.43 -0.18 0.00 0.00 0.00 0.00 36.38 33.78 1j3g s VAL 178 CO 0.60 -0.14 1.99 0.41 0.00 0.00 0.00 175.10 177.96 1j3g n THR 179 N -4.24 0.05 -2.01 3.92 -1.04 -1.26 -4.85 114.28 104.85 1j3g n THR 179 Ca 0.06 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.66 1j3g n THR 179 Cb 0.55 -0.73 -0.00 0.00 -1.82 0.00 0.00 70.33 68.33 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 6.59 3.79 -2.96 -2.82 -0.04 -1.26 -4.70 135.00 133.59 1j3g n PRO 180 Ca 0.45 -3.49 -0.19 0.00 -0.04 0.00 0.00 63.50 60.23 1j3g n PRO 180 Cb 0.01 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 0.49 -4.07 -3.27 3.54 2.88 -1.26 -4.88 113.62 107.05 1j3g n SER 181 Ca 0.53 -0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.87 1j3g n SER 181 Cb 0.32 -3.38 0.02 0.00 -0.75 0.00 0.00 64.21 60.42 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 -2.45 -0.02 -1.37 -3.46 0.15 -1.26 -4.99 113.70 100.29 1j3g s SER 182 Ca 0.23 -0.80 -0.02 0.00 0.70 0.00 0.00 55.95 56.06 1j3g s SER 182 Cb -0.12 0.62 -0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1j3g s SER 182 CO 0.29 -1.23 0.49 1.57 1.20 0.00 0.00 173.24 175.56 1j3g n HIS 183 N -0.61 -1.70 -4.18 3.44 -0.00 -1.26 -4.78 115.22 106.13 1j3g n HIS 183 Ca -0.05 0.73 -0.11 0.00 -0.00 0.00 0.00 57.72 58.29 1j3g n HIS 183 Cb 0.60 -3.80 -0.10 0.00 -0.00 0.00 0.00 29.99 26.69 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 -6.43 1.13 0.33 1.57 2.47 -1.26 -4.90 119.74 112.64 1j3g s LYS 184 Ca 0.04 -1.56 0.01 0.00 -1.56 0.00 0.00 55.97 52.90 1j3g s LYS 184 Cb -0.02 0.27 -0.01 0.00 -1.46 0.00 0.00 37.83 36.61 1j3g s LYS 184 CO 0.88 -0.36 0.38 -1.83 0.16 0.00 0.00 175.35 174.58 1j3g s GLU 185 N -4.12 1.80 2.71 4.03 4.04 -1.26 -5.04 118.70 120.85 1j3g s GLU 185 Ca 0.34 -1.83 0.00 0.00 0.04 0.00 0.00 54.97 53.52 1j3g s GLU 185 Cb 0.07 0.39 0.00 0.00 0.02 0.00 0.00 34.13 34.61 1j3g s GLU 185 CO 0.09 -0.71 0.00 -0.12 -1.84 0.00 0.00 175.26 172.68 1j3g n MET 186 N -0.56 0.00 0.00 -4.83 0.00 -1.26 -5.16 117.12 105.31 1j3g n MET 186 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1j3g n MET 186 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.84 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38