#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 2.00 -0.06 -0.89 2.96 -1.26 -5.06 118.68 116.37 1j3g s LEU 2 Ca 0.00 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1j3g s LEU 2 Cb 0.00 0.37 0.02 0.00 0.50 0.00 0.00 46.19 47.08 1j3g s LEU 2 CO 0.00 -0.41 -0.06 -0.76 -1.32 0.00 0.00 176.35 173.80 1j3g s LEU 3 N -1.79 1.33 -0.04 -0.68 1.43 -1.26 -1.50 118.68 116.17 1j3g s LEU 3 Ca -0.10 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1j3g s LEU 3 Cb -0.05 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.61 1j3g s LEU 3 CO -0.02 -0.05 -0.02 -0.62 0.23 0.00 0.00 176.35 175.87 1j3g s ASP 4 N 1.02 0.72 -1.52 2.29 2.15 -0.90 -4.84 116.67 115.60 1j3g s ASP 4 Ca -0.09 -0.07 -0.03 0.00 0.43 0.00 0.00 52.55 52.79 1j3g s ASP 4 Cb -0.14 -0.33 0.03 0.00 -0.30 0.00 0.00 42.92 42.17 1j3g s ASP 4 CO -0.00 -0.09 0.29 -0.62 -0.17 0.00 0.00 175.17 174.58 1j3g n GLU 5 N 4.16 -2.16 -0.49 4.34 -0.58 -1.26 -0.94 120.64 123.71 1j3g n GLU 5 Ca -0.24 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1j3g n GLU 5 Cb 0.51 -4.20 0.00 0.00 -0.57 0.00 0.00 31.44 27.18 1j3g n GLU 5 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j3g n GLY 6 N -2.13 1.20 3.98 0.62 0.00 -1.26 -4.99 105.19 102.61 1j3g n GLY 6 Ca -0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.71 3.12 -0.21 1.61 0.52 -0.12 -4.84 118.94 116.31 1j3g s TRP 7 Ca 0.00 -0.04 -0.20 0.00 0.02 0.00 0.00 56.10 55.88 1j3g s TRP 7 Cb 0.00 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 1j3g s TRP 7 CO 0.00 -0.25 0.60 -1.17 0.02 0.00 0.00 176.95 176.16 1j3g s LEU 8 N -4.38 4.13 0.67 2.99 0.20 -1.26 -2.11 118.68 118.91 1j3g s LEU 8 Ca 0.48 0.77 -0.01 0.00 0.69 0.00 0.00 54.13 56.06 1j3g s LEU 8 Cb -0.10 -2.84 0.10 0.00 -0.43 0.00 0.00 46.19 42.92 1j3g s LEU 8 CO 0.34 -0.27 0.93 0.00 -0.29 0.00 0.00 176.35 177.06 1j3g s ALA 9 N 1.97 3.73 -1.24 5.97 0.00 -0.56 -4.57 121.76 127.06 1j3g s ALA 9 Ca 0.27 -1.57 -0.25 0.00 0.00 0.00 0.00 51.96 50.42 1j3g s ALA 9 Cb -0.16 -2.06 0.02 0.00 0.00 0.00 0.00 23.12 20.92 1j3g s ALA 9 CO 0.10 -1.24 0.63 0.39 0.00 0.00 0.00 175.76 175.63 1j3g n GLU 10 N -2.70 -0.85 -3.65 0.00 -0.58 -1.26 -4.28 120.64 107.33 1j3g n GLU 10 Ca 0.13 0.21 -0.09 0.00 -0.42 0.00 0.00 57.16 56.99 1j3g n GLU 10 Cb 0.60 -3.26 -0.07 0.00 -0.57 0.00 0.00 31.44 28.14 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1j3g s ALA 11 N -3.63 -1.75 0.05 0.62 0.00 -1.26 -4.76 121.76 111.02 1j3g s ALA 11 Ca 0.40 2.21 -0.30 0.00 0.00 0.00 0.00 51.96 54.27 1j3g s ALA 11 Cb -0.19 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.55 1j3g s ALA 11 CO 0.94 -0.35 1.73 0.50 0.00 0.00 0.00 175.76 178.57 1j3g s ARG 12 N 1.25 4.18 -0.01 0.00 6.06 -0.27 -4.77 118.95 125.38 1j3g s ARG 12 Ca -0.07 2.39 -0.10 0.00 -2.50 0.00 0.00 55.73 55.45 1j3g s ARG 12 Cb -0.05 -3.75 -0.05 0.00 0.06 0.00 0.00 34.95 31.16 1j3g s ARG 12 CO -0.13 -0.80 0.30 -0.98 -2.50 0.00 0.00 175.30 171.19 1j3g s ARG 13 N 3.16 3.67 -0.46 5.12 3.03 -1.26 -0.38 118.95 131.83 1j3g s ARG 13 Ca 0.77 0.09 0.07 0.00 2.03 0.00 0.00 55.73 58.70 1j3g s ARG 13 Cb -0.40 -3.13 0.25 0.00 -1.03 0.00 0.00 34.95 30.64 1j3g s ARG 13 CO 0.34 0.68 0.58 0.28 -1.13 0.00 0.00 175.30 176.04 1j3g n VAL 14 N 1.47 0.15 -2.29 4.99 0.31 -0.50 -4.92 118.33 117.54 1j3g n VAL 14 Ca -0.13 -4.33 -0.42 0.00 -0.01 0.00 0.00 64.34 59.44 1j3g n VAL 14 Cb 0.53 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.44 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 -1.50 4.29 -0.30 5.55 0.04 -1.26 -4.59 135.00 137.22 1j3g s PRO 15 Ca 0.36 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 63.23 1j3g s PRO 15 Cb 0.16 -3.62 0.17 0.00 0.04 0.00 0.00 34.50 31.25 1j3g s PRO 15 CO -0.09 -0.58 0.63 0.45 0.04 0.00 0.00 177.00 177.45 1j3g s SER 16 N 1.89 -1.29 -1.35 6.66 0.15 -1.26 -5.07 113.70 113.42 1j3g s SER 16 Ca 0.61 1.11 -0.16 0.00 0.70 0.00 0.00 55.95 58.22 1j3g s SER 16 Cb -0.29 2.20 0.02 0.00 -1.71 0.00 0.00 66.02 66.24 1j3g s SER 16 CO 0.24 -0.24 2.14 -0.81 1.20 0.00 0.00 173.24 175.77 1j3g n PRO 17 N 5.43 2.70 -2.71 5.44 -0.04 -1.26 -4.55 135.00 140.01 1j3g n PRO 17 Ca -0.05 -2.57 -0.24 0.00 -0.04 0.00 0.00 63.50 60.60 1j3g n PRO 17 Cb 0.50 -3.27 -0.01 0.00 -0.04 0.00 0.00 33.50 30.68 1j3g n PRO 17 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j3g n HIS 18 N 6.61 3.15 -2.69 0.54 -0.00 -1.26 -5.08 115.22 116.49 1j3g n HIS 18 Ca 0.51 -3.44 -0.13 0.00 0.46 0.00 0.00 57.72 55.13 1j3g n HIS 18 Cb 0.40 -0.28 0.06 0.00 -0.12 0.00 0.00 29.99 30.05 1j3g n HIS 18 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1j3g n TYR 19 N -0.30 -2.90 -3.65 1.57 4.01 -1.26 -4.65 117.16 109.99 1j3g n TYR 19 Ca 0.32 -1.12 -0.18 0.00 -0.16 0.00 0.00 57.90 56.75 1j3g n TYR 19 Cb 0.58 -0.39 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 1j3g n TYR 19 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1j3g n ASP 20 N -2.81 2.15 -3.57 7.72 9.92 -1.26 -4.95 116.55 123.75 1j3g n ASP 20 Ca 0.10 -2.33 -0.01 0.00 -0.53 0.00 0.00 54.79 52.01 1j3g n ASP 20 Cb 0.35 -0.08 -0.05 0.00 -0.64 0.00 0.00 41.12 40.70 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 2.48 1.60 -0.03 0.00 1.81 -1.26 -5.03 118.95 118.52 1j3g s ARG 22 Ca -0.06 -1.42 0.00 0.00 -1.72 0.00 0.00 55.73 52.54 1j3g s ARG 22 Cb -0.09 -1.93 0.02 0.00 -0.45 0.00 0.00 34.95 32.51 1j3g s ARG 22 CO -0.18 0.42 1.67 -0.35 -0.68 0.00 0.00 175.30 176.18 1j3g n PRO 23 N 0.42 1.07 -4.35 3.54 -0.04 -1.26 -4.78 135.00 129.60 1j3g n PRO 23 Ca -0.14 -0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 62.85 1j3g n PRO 23 Cb 0.55 -1.05 -0.09 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.52 5.07 -0.27 3.54 1.01 -1.26 -5.10 116.67 121.18 1j3g s ASP 24 Ca 0.03 0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.28 1j3g s ASP 24 Cb 0.02 -1.33 0.12 0.00 1.01 0.00 0.00 42.92 42.74 1j3g s ASP 24 CO 0.00 0.31 0.28 -1.81 0.21 0.00 0.00 175.17 174.16 1j3g s ASP 25 N -1.33 1.57 0.16 0.27 1.01 -1.26 -5.12 116.67 111.97 1j3g s ASP 25 Ca 0.17 -0.57 0.01 0.00 0.71 0.00 0.00 52.55 52.87 1j3g s ASP 25 Cb -0.11 0.49 -0.04 0.00 1.01 0.00 0.00 42.92 44.26 1j3g s ASP 25 CO 0.07 -0.37 0.03 -0.70 0.21 0.00 0.00 175.17 174.42 1j3g s GLU 26 N 2.36 1.06 0.00 8.23 2.56 -1.26 -5.13 118.70 126.52 1j3g s GLU 26 Ca 0.09 -1.52 -0.30 0.00 0.00 0.00 0.00 54.97 53.24 1j3g s GLU 26 Cb -0.15 -0.05 -0.06 0.00 2.00 0.00 0.00 34.13 35.88 1j3g s GLU 26 CO -0.27 -0.20 1.50 1.21 -0.56 0.00 0.00 175.26 176.94 1j3g s ASN 27 N -3.13 6.76 -0.35 -1.70 2.47 -1.26 -4.99 114.94 112.74 1j3g s ASN 27 Ca 0.25 2.22 -0.29 0.00 0.42 0.00 0.00 52.86 55.46 1j3g s ASN 27 Cb 0.07 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 37.32 1j3g s ASN 27 CO 0.04 -0.80 1.23 -2.16 -3.72 0.00 0.00 177.10 171.69 1j3g s PRO 28 N 2.77 3.88 0.00 0.43 0.04 -1.26 -4.86 135.00 136.00 1j3g s PRO 28 Ca 0.68 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1j3g s PRO 28 Cb -0.34 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1j3g s PRO 28 CO 0.28 -1.16 0.00 0.45 0.04 0.00 0.00 177.00 176.61 1j3g n SER 29 N 7.61 0.00 -3.78 6.66 2.88 -1.26 -4.54 113.62 121.20 1j3g n SER 29 Ca 0.14 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1j3g n SER 29 Cb 0.47 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.00 0.91 -0.27 2.46 2.96 -1.26 -4.34 118.68 119.14 1j3g s LEU 30 Ca 0.00 0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 54.28 1j3g s LEU 30 Cb 0.00 1.05 0.01 0.00 0.50 0.00 0.00 46.19 47.75 1j3g s LEU 30 CO 0.00 -0.21 0.02 -0.22 -1.32 0.00 0.00 176.35 174.62 1j3g s LEU 31 N -0.32 3.49 -0.22 -0.68 2.96 -1.20 -3.29 118.68 119.42 1j3g s LEU 31 Ca -0.04 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.13 1j3g s LEU 31 Cb -0.03 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1j3g s LEU 31 CO 0.01 -0.14 0.04 -0.69 -1.32 0.00 0.00 176.35 174.26 1j3g s VAL 32 N 1.45 4.23 -0.21 1.68 1.01 -1.25 -1.85 120.40 125.47 1j3g s VAL 32 Ca 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1j3g s VAL 32 Cb -0.16 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1j3g s VAL 32 CO -0.00 0.38 -0.07 -0.69 0.00 0.00 0.00 175.10 174.73 1j3g s VAL 33 N 1.26 3.21 -0.29 2.92 1.01 0.68 -4.23 120.40 124.96 1j3g s VAL 33 Ca 0.04 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 1j3g s VAL 33 Cb -0.15 -2.44 0.13 0.00 0.00 0.00 0.00 36.38 33.92 1j3g s VAL 33 CO 0.03 0.44 0.90 -1.38 0.00 0.00 0.00 175.10 175.09 1j3g s HIS 34 N 1.38 -0.72 -0.41 5.22 -3.43 -1.26 -3.94 115.29 112.12 1j3g s HIS 34 Ca 0.05 1.40 -0.29 0.00 -0.80 0.00 0.00 55.06 55.42 1j3g s HIS 34 Cb -0.14 0.43 0.02 0.00 -1.43 0.00 0.00 32.58 31.46 1j3g s HIS 34 CO -0.04 -0.36 1.10 1.21 -2.00 0.00 0.00 174.74 174.65 1j3g s ASN 35 N 1.58 6.74 0.41 7.38 2.47 -1.25 -4.43 114.94 127.85 1j3g s ASN 35 Ca -0.08 0.68 0.03 0.00 0.42 0.00 0.00 52.86 53.91 1j3g s ASN 35 Cb -0.04 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 1j3g s ASN 35 CO -0.16 -1.09 0.10 -0.63 -3.72 0.00 0.00 177.10 171.59 1j3g s ILE 36 N 4.09 0.77 -0.19 -5.21 -1.09 -1.23 -4.88 121.20 113.47 1j3g s ILE 36 Ca 0.46 -2.00 -0.07 0.00 -2.23 0.00 0.00 60.65 56.81 1j3g s ILE 36 Cb -0.09 -2.38 0.08 0.00 -1.58 0.00 0.00 42.46 38.49 1j3g s ILE 36 CO 0.25 0.00 0.42 -0.55 -1.23 0.00 0.00 174.94 173.83 1j3g s SER 37 N -3.63 -0.30 0.13 3.58 0.15 -1.26 -1.90 113.70 110.45 1j3g s SER 37 Ca 0.23 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1j3g s SER 37 Cb 0.03 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 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 5.17 -0.31 -4.74 3.45 -0.00 -1.26 -5.07 117.00 114.24 1j3g n LEU 38 Ca -0.11 0.22 -0.41 0.00 -0.00 0.00 0.00 56.01 55.71 1j3g n LEU 38 Cb 0.51 0.41 -0.04 0.00 -0.00 0.00 0.00 43.42 44.29 1j3g n LEU 38 CO 0.01 -0.55 0.76 -2.84 -0.00 0.00 0.00 177.39 174.77 1j3g s PRO 39 N -1.38 4.64 -1.21 1.96 0.02 -1.26 -4.86 135.00 132.90 1j3g s PRO 39 Ca 0.00 1.66 -0.20 0.00 0.02 0.00 0.00 61.00 62.48 1j3g s PRO 39 Cb 0.00 -3.29 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 1j3g s PRO 39 CO 0.00 0.15 1.89 -0.35 -0.33 0.00 0.00 177.00 178.36 1j3g n PRO 40 N 2.27 2.34 0.00 5.54 -0.04 -1.26 -4.75 135.00 139.09 1j3g n PRO 40 Ca 0.02 -2.72 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 1j3g n PRO 40 Cb 0.47 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.43 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 5.31 -2.17 3.43 0.55 0.00 -1.26 -4.90 105.19 106.14 1j3g n GLY 41 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 1j3g n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 42 N -2.31 0.46 -0.08 1.61 2.02 -1.26 -5.11 118.70 114.02 1j3g s GLU 42 Ca 0.00 1.14 -0.32 0.00 0.02 0.00 0.00 54.97 55.81 1j3g s GLU 42 Cb 0.00 0.41 0.13 0.00 0.10 0.00 0.00 34.13 34.77 1j3g s GLU 42 CO 0.00 -0.21 1.32 -0.06 0.02 0.00 0.00 175.26 176.33 1j3g s PHE 43 N 2.38 -0.04 -0.33 1.61 0.08 -1.26 -5.06 117.98 115.34 1j3g s PHE 43 Ca -0.05 -0.02 0.13 0.00 0.12 0.00 0.00 56.93 57.11 1j3g s PHE 43 Cb -0.11 0.53 0.35 0.00 -0.57 0.00 0.00 43.02 43.23 1j3g s PHE 43 CO -0.15 -0.18 1.27 0.41 -0.10 0.00 0.00 175.22 176.46 1j3g n GLY 44 N -0.39 3.75 3.63 4.36 0.00 -1.26 -4.98 105.19 110.29 1j3g n GLY 44 Ca -0.06 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -1.76 1.73 0.00 -0.02 0.00 -1.26 -4.95 107.32 101.06 1j3g s GLY 45 Ca 0.30 -0.25 0.19 0.00 0.00 0.00 0.00 44.72 44.95 1j3g s GLY 45 CO 0.08 1.79 1.59 -1.55 0.00 0.00 0.00 173.10 175.02 1j3g n PRO 46 N 6.11 0.15 -0.29 2.90 -0.04 -1.26 -3.24 135.00 139.33 1j3g n PRO 46 Ca 0.05 0.14 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1j3g n PRO 46 Cb 0.48 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.60 1j3g n PRO 46 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1j3g h TRP 47 N 0.00 1.12 -0.21 0.54 2.91 -1.99 -0.44 115.95 117.87 1j3g h TRP 47 Ca 0.00 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 1j3g h TRP 47 Cb 0.24 -0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 28.52 1j3g h TRP 47 CO 0.00 0.74 0.00 0.82 -1.03 0.00 0.00 178.44 178.97 1j3g h ILE 48 N 1.17 1.25 -0.35 2.65 2.04 -1.88 -3.01 117.51 119.38 1j3g h ILE 48 Ca 0.31 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1j3g h ILE 48 Cb -0.05 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1j3g h ILE 48 CO -0.06 0.27 0.11 -0.78 0.00 0.00 0.00 178.15 177.69 1j3g h ASP 49 N 0.14 0.11 -0.65 1.72 1.82 -1.55 -2.10 116.42 115.91 1j3g h ASP 49 Ca 0.06 0.04 0.12 0.00 -0.39 0.00 0.00 57.03 56.86 1j3g h ASP 49 Cb 0.39 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.40 1j3g h ASP 49 CO 0.01 0.10 0.44 0.00 -1.61 0.00 0.00 179.24 178.18 1j3g h ALA 50 N 1.24 2.08 0.64 -0.78 0.00 -1.10 -0.48 119.26 120.85 1j3g h ALA 50 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1j3g h ALA 50 Cb 0.15 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j3g h ALA 50 CO -0.18 -0.24 -0.31 1.25 0.00 0.00 0.00 179.25 179.77 1j3g h LEU 51 N 0.39 -0.73 -0.34 0.00 7.12 -1.24 -0.17 115.31 120.34 1j3g h LEU 51 Ca 0.31 -0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.27 1j3g h LEU 51 Cb 0.69 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 1j3g h LEU 51 CO -0.09 -0.42 0.07 -0.26 -0.13 0.00 0.00 178.44 177.62 1j3g h PHE 52 N -1.02 0.57 -0.45 1.25 -1.00 -1.20 -2.73 116.94 112.36 1j3g h PHE 52 Ca -0.09 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.54 1j3g h PHE 52 Cb 0.70 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 1j3g h PHE 52 CO -0.01 0.59 -0.06 0.00 -1.61 0.00 0.00 178.31 177.23 1j3g h THR 53 N 0.39 1.25 -0.04 -1.55 1.03 -1.23 -3.48 112.91 109.28 1j3g h THR 53 Ca 0.10 -1.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.41 1j3g h THR 53 Cb 0.31 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 1j3g h THR 53 CO 0.00 0.38 0.00 0.61 -0.01 0.00 0.00 175.52 176.50 1j3g n GLY 54 N -0.54 1.19 0.35 2.99 0.00 -0.30 -5.04 105.19 103.84 1j3g n GLY 54 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.32 0.89 -1.52 2.61 -2.24 -0.23 -5.03 114.28 108.44 1j3g n THR 55 Ca 0.00 -1.12 -0.37 0.00 -2.27 0.00 0.00 64.05 60.30 1j3g n THR 55 Cb 0.02 0.17 0.07 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.65 3.54 -3.65 2.28 3.06 -1.00 -4.97 119.36 117.96 1j3g n ILE 56 Ca 0.08 -0.45 -0.36 0.00 -2.50 0.00 0.00 62.75 59.52 1j3g n ILE 56 Cb 0.69 -1.17 -0.08 0.00 0.54 0.00 0.00 39.64 39.62 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 -1.44 6.27 -0.88 9.51 2.15 -1.26 -5.00 116.67 126.02 1j3g s ASP 57 Ca 0.76 0.31 -0.18 0.00 0.43 0.00 0.00 52.55 53.87 1j3g s ASP 57 Cb -0.38 -2.12 -0.12 0.00 -0.30 0.00 0.00 42.92 40.00 1j3g s ASP 57 CO 0.47 0.14 2.01 -0.81 -0.17 0.00 0.00 175.17 176.80 1j3g n PRO 58 N 3.65 1.79 -0.02 4.34 -0.04 -1.26 -4.48 135.00 138.97 1j3g n PRO 58 Ca -0.14 -1.86 -0.03 0.00 -0.04 0.00 0.00 63.50 61.43 1j3g n PRO 58 Cb 0.52 -2.87 -0.01 0.00 -0.04 0.00 0.00 33.50 31.10 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 6.66 0.76 -0.04 3.54 2.85 -1.26 -4.80 115.26 122.97 1j3g n ASN 59 Ca 0.49 0.12 -0.13 0.00 -0.11 0.00 0.00 54.58 54.95 1j3g n ASN 59 Cb 0.35 -0.50 -0.08 0.00 1.24 0.00 0.00 39.78 40.79 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3g h ALA 60 N -1.19 -0.73 -2.36 5.20 0.00 -2.04 -3.46 119.26 114.68 1j3g h ALA 60 Ca 0.00 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.11 1j3g h ALA 60 Cb 0.33 0.95 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1j3g h ALA 60 CO 0.00 -1.01 0.67 -3.38 0.00 0.00 0.00 179.25 175.53 1j3g s HIS 61 N -5.77 0.04 0.07 0.00 -3.43 -1.26 -5.08 115.29 99.85 1j3g s HIS 61 Ca -0.15 -0.35 -0.17 0.00 -0.80 0.00 0.00 55.06 53.59 1j3g s HIS 61 Cb 0.09 0.66 -0.12 0.00 -1.43 0.00 0.00 32.58 31.77 1j3g s HIS 61 CO 0.63 -0.73 1.35 -1.00 -2.00 0.00 0.00 174.74 172.99 1j3g h PRO 62 N 2.00 0.59 -0.02 -0.38 0.13 -1.92 -3.30 132.00 129.10 1j3g h PRO 62 Ca -0.26 -0.36 0.03 0.00 -0.87 0.00 0.00 66.00 64.54 1j3g h PRO 62 Cb 1.21 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1j3g h PRO 62 CO 0.34 0.97 -0.47 -0.92 -0.23 0.00 0.00 178.00 177.69 1j3g h TYR 63 N 0.27 -1.34 -0.52 1.56 3.20 -1.98 0.18 116.97 118.34 1j3g h TYR 63 Ca 0.02 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.95 1j3g h TYR 63 Cb 0.92 0.59 -0.03 0.00 1.54 0.00 0.00 36.73 39.75 1j3g h TYR 63 CO 0.09 -0.53 0.32 0.35 -1.64 0.00 0.00 178.16 176.75 1j3g h PHE 64 N -0.60 0.61 -0.39 -3.82 3.04 -2.00 -0.42 116.94 113.35 1j3g h PHE 64 Ca 0.04 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.95 1j3g h PHE 64 Cb 0.68 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1j3g h PHE 64 CO -0.47 0.36 0.02 0.00 -2.02 0.00 0.00 178.31 176.19 1j3g h ALA 65 N 1.22 0.53 0.60 2.41 0.00 -1.60 -3.05 119.26 119.37 1j3g h ALA 65 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j3g h ALA 65 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1j3g h ALA 65 CO -0.08 0.29 -0.49 0.78 0.00 0.00 0.00 179.25 179.75 1j3g h GLY 66 N 0.51 -1.29 1.27 0.00 0.00 -0.13 -3.13 103.07 100.30 1j3g h GLY 66 Ca 0.11 0.57 0.08 0.00 0.00 0.00 0.00 47.33 48.09 1j3g h GLY 66 CO 0.02 -0.40 0.31 0.16 0.00 0.00 0.00 176.54 176.63 1j3g h ILE 67 N -1.06 0.91 -0.79 2.60 -0.00 -1.16 -3.26 117.51 114.75 1j3g h ILE 67 Ca -0.08 -0.10 0.27 0.00 -0.00 0.00 0.00 64.86 64.96 1j3g h ILE 67 Cb 0.89 0.60 -0.15 0.00 -0.00 0.00 0.00 36.82 38.17 1j3g h ILE 67 CO 0.00 0.05 0.22 0.00 -0.00 0.00 0.00 178.15 178.42 1j3g n ALA 68 N -2.54 0.61 -0.31 0.16 0.00 -1.15 -0.32 120.51 116.95 1j3g n ALA 68 Ca 0.07 0.83 -0.04 0.00 0.00 0.00 0.00 53.44 54.29 1j3g n ALA 68 Cb 0.32 -0.71 0.09 0.00 0.00 0.00 0.00 19.45 19.15 1j3g n ALA 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j3g h HIS 69 N 0.00 1.22 -3.40 0.00 3.86 -1.78 -3.40 115.15 111.66 1j3g h HIS 69 Ca 0.58 -0.05 -0.55 0.00 -1.16 0.00 0.00 60.37 59.18 1j3g h HIS 69 Cb 1.38 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 29.43 1j3g h HIS 69 CO -0.21 0.87 0.11 -0.51 0.86 0.00 0.00 177.93 179.05 1j3g s LEU 70 N -9.83 4.45 0.82 2.43 1.02 0.56 -5.06 118.68 113.09 1j3g s LEU 70 Ca -0.12 1.38 -0.11 0.00 0.02 0.00 0.00 54.13 55.30 1j3g s LEU 70 Cb 0.16 -3.15 0.09 0.00 0.02 0.00 0.00 46.19 43.32 1j3g s LEU 70 CO 0.83 0.06 1.11 0.00 0.02 0.00 0.00 176.35 178.38 1j3g s ARG 71 N -0.21 1.81 0.33 1.70 3.03 -1.26 -4.93 118.95 119.42 1j3g s ARG 71 Ca 0.36 1.33 0.09 0.00 2.03 0.00 0.00 55.73 59.54 1j3g s ARG 71 Cb -0.20 -1.83 -0.05 0.00 -1.03 0.00 0.00 34.95 31.83 1j3g s ARG 71 CO 0.22 -2.00 -0.01 0.14 -1.13 0.00 0.00 175.30 172.51 1j3g s VAL 72 N -2.78 2.63 -0.30 4.99 -7.23 -1.26 -4.85 120.40 111.60 1j3g s VAL 72 Ca 0.64 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 1j3g s VAL 72 Cb -0.20 -2.76 0.15 0.00 0.56 0.00 0.00 36.38 34.14 1j3g s VAL 72 CO 0.56 -0.22 0.79 -0.44 -0.31 0.00 0.00 175.10 175.48 1j3g s SER 73 N -3.69 -0.94 0.00 4.85 0.01 -0.59 -4.79 113.70 108.55 1j3g s SER 73 Ca 0.34 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.74 1j3g s SER 73 Cb -0.00 2.01 0.00 0.00 0.21 0.00 0.00 66.02 68.23 1j3g s SER 73 CO 0.19 -0.18 0.00 0.00 0.41 0.00 0.00 173.24 173.66 1j3g n ALA 74 N 5.28 0.00 0.08 1.44 0.00 -1.26 -1.37 120.51 124.68 1j3g n ALA 74 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1j3g n ALA 74 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.03 -3.88 0.00 8.25 -1.10 -4.44 115.22 113.02 1j3g n HIS 75 Ca 0.00 0.18 -0.26 0.00 -0.26 0.00 0.00 57.72 57.38 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 1.74 4.68 -0.24 0.00 1.98 -0.23 -1.49 118.68 125.12 1j3g s LEU 77 Ca 0.04 -0.52 -0.10 0.00 -2.89 0.00 0.00 54.13 50.67 1j3g s LEU 77 Cb -0.13 -2.23 -0.05 0.00 0.66 0.00 0.00 46.19 44.45 1j3g s LEU 77 CO -0.08 -0.35 0.15 -0.63 -1.89 0.00 0.00 176.35 173.54 1j3g s ILE 78 N 1.84 5.21 0.32 6.68 1.01 -0.56 -0.55 121.20 135.15 1j3g s ILE 78 Ca 0.08 0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.67 1j3g s ILE 78 Cb -0.18 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 1j3g s ILE 78 CO 0.11 0.34 0.80 -0.60 0.00 0.00 0.00 174.94 175.59 1j3g s ARG 79 N 1.12 4.17 0.43 2.79 3.52 0.44 -0.31 118.95 131.11 1j3g s ARG 79 Ca 0.07 0.88 0.17 0.00 -0.13 0.00 0.00 55.73 56.73 1j3g s ARG 79 Cb -0.14 -2.53 0.95 0.00 -1.56 0.00 0.00 34.95 31.67 1j3g s ARG 79 CO 0.05 0.19 1.46 0.07 -0.81 0.00 0.00 175.30 176.26 1j3g h ARG 80 N 2.57 0.00 -0.81 5.12 -0.00 -1.55 -1.76 114.38 117.95 1j3g h ARG 80 Ca -0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.42 1j3g h ARG 80 Cb 1.18 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.11 1j3g h ARG 80 CO 0.64 0.00 0.10 -3.47 -0.00 0.00 0.00 179.97 177.24 1j3g n ASP 81 N -2.29 3.77 -3.11 0.08 2.03 -1.26 -3.75 116.55 112.02 1j3g n ASP 81 Ca -0.01 -2.66 -0.14 0.00 0.52 0.00 0.00 54.79 52.50 1j3g n ASP 81 Cb 0.35 -0.64 0.07 0.00 -0.72 0.00 0.00 41.12 40.18 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 0.16 -0.69 3.15 0.27 0.00 -0.67 -4.89 105.19 102.52 1j3g n GLY 82 Ca 0.22 0.32 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.61 1.10 -0.15 1.61 2.02 -1.17 -4.76 118.70 112.74 1j3g s GLU 83 Ca 0.26 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1j3g s GLU 83 Cb -0.03 -1.11 -0.00 0.00 0.10 0.00 0.00 34.13 33.08 1j3g s GLU 83 CO 0.66 0.29 -0.16 0.42 0.02 0.00 0.00 175.26 176.49 1j3g s ILE 84 N -0.64 2.64 0.15 -1.63 1.01 -1.26 -0.42 121.20 121.05 1j3g s ILE 84 Ca 0.04 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.99 1j3g s ILE 84 Cb -0.07 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1j3g s ILE 84 CO 0.01 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.73 1j3g s VAL 85 N 0.80 3.58 -0.14 2.92 1.01 0.29 -1.12 120.40 127.74 1j3g s VAL 85 Ca -0.06 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1j3g s VAL 85 Cb -0.15 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1j3g s VAL 85 CO 0.00 -0.05 -0.13 -1.58 0.00 0.00 0.00 175.10 173.35 1j3g s GLN 86 N -2.73 2.11 -0.23 2.72 0.74 0.49 -1.06 119.66 121.70 1j3g s GLN 86 Ca 0.26 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.20 1j3g s GLN 86 Cb -0.10 -1.96 0.05 0.00 1.10 0.00 0.00 33.01 32.09 1j3g s GLN 86 CO 0.17 -0.22 -0.14 0.71 -0.55 0.00 0.00 175.29 175.26 1j3g s TYR 87 N 1.48 3.01 0.00 1.67 1.51 -0.45 -1.41 117.35 123.17 1j3g s TYR 87 Ca 0.04 -2.03 0.00 0.00 -1.01 0.00 0.00 57.07 54.07 1j3g s TYR 87 Cb -0.13 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1j3g s TYR 87 CO -0.09 -0.84 0.00 0.28 -1.11 0.00 0.00 175.55 173.79 1j3g n VAL 88 N 4.52 -2.17 -0.29 0.71 0.31 -1.26 -2.70 118.33 117.46 1j3g n VAL 88 Ca -0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.06 1j3g n VAL 88 Cb 0.45 -3.88 0.10 0.00 -0.91 0.00 0.00 33.84 29.61 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 0.00 -2.62 -1.08 5.55 -0.04 -1.26 -4.62 135.00 130.94 1j3g n PRO 89 Ca 0.00 -0.56 -0.17 0.00 -0.04 0.00 0.00 63.50 62.73 1j3g n PRO 89 Cb 0.00 -0.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.67 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 -3.79 0.47 -3.48 0.54 3.01 -1.26 -4.60 117.46 108.34 1j3g n PHE 90 Ca 0.05 -1.77 -0.12 0.00 1.01 0.00 0.00 57.45 56.61 1j3g n PHE 90 Cb 0.21 -1.73 -0.10 0.00 -0.01 0.00 0.00 39.48 37.85 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 1.93 0.52 -0.13 4.37 2.15 -1.26 -5.02 116.67 119.22 1j3g s ASP 91 Ca 0.67 0.26 -0.04 0.00 0.43 0.00 0.00 52.55 53.87 1j3g s ASP 91 Cb 0.30 0.86 0.00 0.00 -0.30 0.00 0.00 42.92 43.79 1j3g s ASP 91 CO -0.02 -0.29 0.15 1.17 -0.17 0.00 0.00 175.17 176.01 1j3g n LYS 92 N 5.35 -0.85 -0.90 4.34 4.81 -1.26 -4.96 118.16 124.70 1j3g n LYS 92 Ca -0.05 1.07 -0.32 0.00 -0.87 0.00 0.00 58.31 58.14 1j3g n LYS 92 Cb 0.50 -2.73 -0.03 0.00 0.02 0.00 0.00 35.03 32.79 1j3g n LYS 92 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1j3g n ARG 93 N -0.28 0.00 -3.14 1.64 0.63 -1.26 -4.97 116.66 109.28 1j3g n ARG 93 Ca 0.03 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.76 1j3g n ARG 93 Cb 0.11 -0.70 0.04 0.00 0.45 0.00 0.00 32.46 32.36 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 0.99 -3.66 5.13 0.00 -1.26 -4.62 120.51 117.26 1j3g n ALA 94 Ca 0.12 -1.96 -0.12 0.00 0.00 0.00 0.00 53.44 51.47 1j3g n ALA 94 Cb 0.14 0.65 -0.12 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.38 -0.50 -0.45 0.00 -0.00 -0.47 -4.55 118.94 110.59 1j3g s TRP 95 Ca 0.45 1.09 0.06 0.00 -0.00 0.00 0.00 56.10 57.69 1j3g s TRP 95 Cb -0.04 0.04 0.30 0.00 -0.00 0.00 0.00 33.47 33.77 1j3g s TRP 95 CO 0.28 -0.38 1.09 -2.39 -0.00 0.00 0.00 176.95 175.56 1j3g n HIS 96 N 5.33 -2.70 0.11 5.86 1.44 -1.23 -1.54 115.22 122.49 1j3g n HIS 96 Ca -0.07 -1.86 0.00 0.00 -2.01 0.00 0.00 57.72 53.78 1j3g n HIS 96 Cb 0.50 1.56 0.00 0.00 0.12 0.00 0.00 29.99 32.17 1j3g n HIS 96 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j3g n ALA 97 N 0.73 0.33 0.00 1.59 0.00 -1.26 -4.96 120.51 116.94 1j3g n ALA 97 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1j3g n ALA 97 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.17 1.99 3.00 0.00 0.00 -1.26 -4.95 105.19 102.80 1j3g n GLY 98 Ca 0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 0.78 -0.28 1.61 1.01 -1.26 -4.36 120.40 117.90 1j3g s VAL 99 Ca 0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1j3g s VAL 99 Cb 0.00 -0.69 0.12 0.00 0.00 0.00 0.00 36.38 35.80 1j3g s VAL 99 CO 0.00 0.24 0.94 -0.94 0.00 0.00 0.00 175.10 175.35 1j3g s SER 100 N 0.15 -0.55 -0.21 3.32 1.04 -1.24 -4.65 113.70 111.56 1j3g s SER 100 Ca -0.02 1.00 -0.14 0.00 0.48 0.00 0.00 55.95 57.27 1j3g s SER 100 Cb -0.08 1.08 0.06 0.00 0.10 0.00 0.00 66.02 67.18 1j3g s SER 100 CO 0.00 -0.17 0.53 -0.94 0.98 0.00 0.00 173.24 173.64 1j3g s SER 101 N 0.60 -0.66 0.12 7.02 1.04 -1.26 -1.06 113.70 119.49 1j3g s SER 101 Ca -0.01 1.13 -0.15 0.00 0.48 0.00 0.00 55.95 57.40 1j3g s SER 101 Cb -0.05 1.04 0.03 0.00 0.10 0.00 0.00 66.02 67.14 1j3g s SER 101 CO -0.08 -0.21 0.38 -0.47 0.98 0.00 0.00 173.24 173.84 1j3g s TYR 102 N 1.21 -0.17 -1.40 5.02 5.04 -0.58 -4.38 117.35 122.08 1j3g s TYR 102 Ca -0.07 -0.14 -0.12 0.00 -2.44 0.00 0.00 57.07 54.29 1j3g s TYR 102 Cb -0.06 0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.49 1j3g s TYR 102 CO -0.12 -0.68 0.31 1.04 -1.34 0.00 0.00 175.55 174.77 1j3g n GLN 103 N -0.16 -1.02 -2.78 4.97 6.02 -1.26 -1.25 117.38 121.89 1j3g n GLN 103 Ca -0.16 0.14 -0.19 0.00 -0.01 0.00 0.00 57.00 56.78 1j3g n GLN 103 Cb 0.63 -3.38 0.00 0.00 1.02 0.00 0.00 30.24 28.52 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 -2.31 -0.50 2.65 1.08 0.00 -1.26 -4.95 105.19 99.89 1j3g n GLY 104 Ca -0.25 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.42 0.05 0.34 1.61 3.52 -0.38 -5.14 118.95 113.54 1j3g s ARG 105 Ca 0.16 0.12 -0.26 0.00 -0.13 0.00 0.00 55.73 55.62 1j3g s ARG 105 Cb -0.08 -1.22 -0.10 0.00 -1.56 0.00 0.00 34.95 31.99 1j3g s ARG 105 CO 0.20 -0.50 0.98 -2.00 -0.81 0.00 0.00 175.30 173.17 1j3g s GLU 106 N 2.13 4.47 -0.17 5.12 2.12 -1.26 -1.53 118.70 129.58 1j3g s GLU 106 Ca 0.03 1.40 0.01 0.00 0.36 0.00 0.00 54.97 56.77 1j3g s GLU 106 Cb -0.14 -2.74 0.03 0.00 0.26 0.00 0.00 34.13 31.54 1j3g s GLU 106 CO -0.06 0.15 -0.14 1.03 -0.54 0.00 0.00 175.26 175.70 1j3g s ARG 107 N -2.17 2.36 0.31 4.30 0.52 -0.22 -4.96 118.95 119.09 1j3g s ARG 107 Ca 0.52 -0.70 0.06 0.00 -0.52 0.00 0.00 55.73 55.09 1j3g s ARG 107 Cb -0.20 -2.29 0.71 0.00 0.52 0.00 0.00 34.95 33.69 1j3g s ARG 107 CO 0.26 -0.29 1.82 0.00 0.02 0.00 0.00 175.30 177.11 1j3g s ASN 109 N -5.60 0.24 -1.27 0.00 0.01 -1.26 -4.57 114.94 102.49 1j3g s ASN 109 Ca -0.11 -0.92 -0.13 0.00 -0.71 0.00 0.00 52.86 50.99 1j3g s ASN 109 Cb 0.23 0.31 0.14 0.00 0.41 0.00 0.00 41.25 42.35 1j3g s ASN 109 CO 0.80 -0.73 1.67 -0.67 -1.51 0.00 0.00 177.10 176.66 1j3g n ASP 110 N -0.06 5.02 -1.83 -1.22 2.03 -1.26 -4.80 116.55 114.43 1j3g n ASP 110 Ca -0.11 -2.99 -0.04 0.00 0.52 0.00 0.00 54.79 52.18 1j3g n ASP 110 Cb 0.62 -1.59 -0.05 0.00 -0.72 0.00 0.00 41.12 39.38 1j3g n ASP 110 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1j3g n PHE 111 N 5.76 0.00 -4.37 -0.67 1.16 -1.26 -4.51 117.46 113.57 1j3g n PHE 111 Ca 0.41 -0.92 -0.23 0.00 -1.87 0.00 0.00 57.45 54.84 1j3g n PHE 111 Cb 0.41 -0.81 -0.11 0.00 -1.61 0.00 0.00 39.48 37.36 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 2.10 2.98 -1.11 5.98 0.01 -1.26 -4.29 113.70 118.12 1j3g s SER 112 Ca 0.21 -0.88 -0.07 0.00 1.31 0.00 0.00 55.95 56.52 1j3g s SER 112 Cb 0.10 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 1j3g s SER 112 CO 0.00 0.01 2.83 0.00 0.41 0.00 0.00 173.24 176.50 1j3g n ILE 113 N 0.19 4.32 0.00 1.44 0.00 -1.26 -4.73 119.36 119.32 1j3g n ILE 113 Ca -0.12 -3.11 0.00 0.00 0.00 0.00 0.00 62.75 59.52 1j3g n ILE 113 Cb 0.57 -2.18 0.00 0.00 0.00 0.00 0.00 39.64 38.03 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 2.36 1.16 3.12 4.50 0.00 -1.21 -4.69 105.19 110.44 1j3g n GLY 114 Ca 0.63 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 2.16 0.19 -0.12 -0.61 -1.09 -1.26 -4.22 121.20 116.25 1j3g s ILE 115 Ca 0.00 -1.58 -0.04 0.00 -2.23 0.00 0.00 60.65 56.80 1j3g s ILE 115 Cb 0.00 -1.41 0.06 0.00 -1.58 0.00 0.00 42.46 39.53 1j3g s ILE 115 CO 0.00 -0.87 0.22 -0.70 -1.23 0.00 0.00 174.94 172.36 1j3g s GLU 116 N -3.79 0.11 -0.04 2.79 2.12 -0.56 -3.80 118.70 115.53 1j3g s GLU 116 Ca 0.05 0.64 -0.20 0.00 0.36 0.00 0.00 54.97 55.82 1j3g s GLU 116 Cb 0.06 -0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 1j3g s GLU 116 CO -0.10 -0.33 0.59 -0.51 -0.54 0.00 0.00 175.26 174.37 1j3g s LEU 117 N 2.37 4.37 -0.11 2.70 1.02 -1.26 -1.49 118.68 126.27 1j3g s LEU 117 Ca 0.02 1.09 -0.05 0.00 0.02 0.00 0.00 54.13 55.22 1j3g s LEU 117 Cb -0.12 -2.90 -0.04 0.00 0.02 0.00 0.00 46.19 43.15 1j3g s LEU 117 CO -0.08 0.05 0.07 -0.70 0.02 0.00 0.00 176.35 175.71 1j3g s GLU 118 N 0.12 3.32 0.38 1.70 2.12 0.57 -3.54 118.70 123.37 1j3g s GLU 118 Ca 0.31 -0.28 -0.13 0.00 0.36 0.00 0.00 54.97 55.23 1j3g s GLU 118 Cb -0.17 -3.02 0.05 0.00 0.26 0.00 0.00 34.13 31.25 1j3g s GLU 118 CO 0.16 0.67 0.74 0.41 -0.54 0.00 0.00 175.26 176.70 1j3g n GLY 119 N 2.28 1.12 2.99 -1.50 0.00 -0.80 -1.39 105.19 107.89 1j3g n GLY 119 Ca -0.19 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.19 -0.56 -1.59 2.61 -4.23 -1.26 -4.48 115.64 103.93 1j3g s THR 120 Ca 0.17 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.56 1j3g s THR 120 Cb -0.04 -0.72 0.11 0.00 1.34 0.00 0.00 72.50 73.19 1j3g s THR 120 CO 0.12 -0.06 0.83 -0.67 -0.54 0.00 0.00 174.62 174.31 1j3g n ASP 121 N 5.36 -3.58 -3.94 3.99 2.03 -1.26 -1.22 116.55 117.93 1j3g n ASP 121 Ca -0.05 -0.91 -0.32 0.00 0.52 0.00 0.00 54.79 54.03 1j3g n ASP 121 Cb 0.50 -3.30 -0.03 0.00 -0.72 0.00 0.00 41.12 37.57 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 -4.51 -0.76 -1.77 5.18 -2.24 -1.26 -4.92 114.28 104.01 1j3g n THR 122 Ca 0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 1j3g n THR 122 Cb 0.53 -1.39 -0.01 0.00 -2.10 0.00 0.00 70.33 67.36 1j3g n THR 122 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1j3g n LEU 123 N -4.03 4.66 -0.96 3.22 7.94 -0.36 -4.62 117.00 122.86 1j3g n LEU 123 Ca 0.06 1.20 -0.14 0.00 -1.11 0.00 0.00 56.01 56.02 1j3g n LEU 123 Cb 0.50 -1.62 -0.02 0.00 0.53 0.00 0.00 43.42 42.80 1j3g n LEU 123 CO 0.73 0.18 0.33 0.00 -1.11 0.00 0.00 177.39 177.53 1j3g n ALA 124 N 1.13 -0.07 1.46 1.96 0.00 -1.26 -4.82 120.51 118.90 1j3g n ALA 124 Ca 0.04 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.69 1j3g n ALA 124 Cb 0.38 -0.44 0.75 0.00 0.00 0.00 0.00 19.45 20.14 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 1.36 0.00 -3.05 0.00 4.01 -1.26 -4.65 117.16 113.57 1j3g n TYR 125 Ca 0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.71 1j3g n TYR 125 Cb -0.01 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 38.82 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 -1.21 -9.27 -0.10 -0.72 -2.24 -1.25 -4.38 114.28 95.11 1j3g n THR 126 Ca 0.15 0.53 0.08 0.00 -2.27 0.00 0.00 64.05 62.54 1j3g n THR 126 Cb 0.19 -6.35 0.12 0.00 -2.10 0.00 0.00 70.33 62.20 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 -0.61 0.02 -0.36 3.42 9.92 -1.26 -0.34 116.55 127.34 1j3g n ASP 127 Ca 0.04 0.20 0.28 0.00 -0.53 0.00 0.00 54.79 54.78 1j3g n ASP 127 Cb 0.52 -0.10 0.57 0.00 -0.64 0.00 0.00 41.12 41.47 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 2.45 -0.36 2.24 0.00 -1.95 0.48 119.26 122.34 1j3g h ALA 128 Ca 0.15 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1j3g h ALA 128 Cb 0.55 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1j3g h ALA 128 CO -0.04 -0.91 -0.10 1.96 0.00 0.00 0.00 179.25 180.16 1j3g h GLN 129 N 0.28 -0.01 -0.90 0.00 4.20 -0.89 -2.00 115.11 115.78 1j3g h GLN 129 Ca 0.65 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.37 1j3g h GLN 129 Cb 1.86 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.60 1j3g h GLN 129 CO -0.30 -0.01 0.57 1.88 -0.67 0.00 0.00 178.83 180.30 1j3g h TYR 130 N -0.01 1.16 0.35 2.96 -1.99 -1.13 0.11 116.97 118.41 1j3g h TYR 130 Ca 0.17 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.90 1j3g h TYR 130 Cb 0.27 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 38.62 1j3g h TYR 130 CO -0.33 0.75 -0.17 1.96 -0.00 0.00 0.00 178.16 180.37 1j3g h GLN 131 N 1.24 -0.45 -0.15 4.88 4.20 -1.26 0.15 115.11 123.72 1j3g h GLN 131 Ca 0.33 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.04 1j3g h GLN 131 Cb -0.10 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1j3g h GLN 131 CO -0.07 -0.16 -0.01 1.96 -0.67 0.00 0.00 178.83 179.88 1j3g h GLN 132 N -0.72 0.27 -0.49 1.46 1.08 -1.29 -2.79 115.11 112.63 1j3g h GLN 132 Ca -0.05 -0.09 0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1j3g h GLN 132 Cb 0.49 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.81 1j3g h GLN 132 CO 0.08 0.51 -0.08 1.25 -0.95 0.00 0.00 178.83 179.64 1j3g h LEU 133 N 0.00 -0.37 -0.53 1.46 5.85 -0.80 -0.77 115.31 120.14 1j3g h LEU 133 Ca 0.04 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1j3g h LEU 133 Cb 0.40 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1j3g h LEU 133 CO 0.01 -0.13 0.31 0.00 -0.34 0.00 0.00 178.44 178.29 1j3g h ALA 134 N 1.47 0.69 0.13 1.25 0.00 -0.67 0.18 119.26 122.30 1j3g h ALA 134 Ca 0.24 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1j3g h ALA 134 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1j3g h ALA 134 CO -0.48 0.02 -0.20 0.00 0.00 0.00 0.00 179.25 178.60 1j3g h ALA 135 N 1.24 -0.34 -0.56 0.00 0.00 -1.09 0.17 119.26 118.69 1j3g h ALA 135 Ca 0.22 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1j3g h ALA 135 Cb 0.04 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1j3g h ALA 135 CO -0.11 -0.73 0.17 0.28 0.00 0.00 0.00 179.25 178.87 1j3g h VAL 136 N -0.38 0.75 -0.67 0.00 2.07 -0.70 -1.89 116.25 115.42 1j3g h VAL 136 Ca 0.02 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1j3g h VAL 136 Cb 0.39 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1j3g h VAL 136 CO -0.10 0.06 0.44 0.74 0.02 0.00 0.00 177.57 178.74 1j3g h THR 137 N 0.33 1.17 -0.30 2.57 2.02 0.04 0.46 112.91 119.20 1j3g h THR 137 Ca 0.28 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1j3g h THR 137 Cb 0.36 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1j3g h THR 137 CO -0.31 0.17 0.16 0.78 0.37 0.00 0.00 175.52 176.68 1j3g h ASN 138 N 0.91 0.24 0.76 4.18 -0.26 -0.07 -0.23 115.58 121.11 1j3g h ASN 138 Ca 0.25 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.96 1j3g h ASN 138 Cb -0.10 -0.04 0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1j3g h ASN 138 CO -0.06 0.18 -0.37 0.00 -1.06 0.00 0.00 177.43 176.13 1j3g h ALA 139 N 1.15 -1.02 -0.91 -0.83 0.00 -0.81 -2.42 119.26 114.42 1j3g h ALA 139 Ca 0.12 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1j3g h ALA 139 Cb 0.03 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1j3g h ALA 139 CO -0.08 -1.03 0.58 -0.07 0.00 0.00 0.00 179.25 178.65 1j3g h LEU 140 N -1.11 0.78 -0.06 0.00 -0.00 -0.86 -1.16 115.31 112.90 1j3g h LEU 140 Ca -0.10 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1j3g h LEU 140 Cb 0.80 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1j3g h LEU 140 CO 0.17 0.44 0.03 0.40 -0.00 0.00 0.00 178.44 179.48 1j3g h ILE 141 N 0.85 1.06 0.00 1.22 2.04 -0.97 0.20 117.51 121.91 1j3g h ILE 141 Ca 0.43 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 66.11 1j3g h ILE 141 Cb 0.50 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1j3g h ILE 141 CO -0.20 0.05 -0.02 0.74 0.00 0.00 0.00 178.15 178.73 1j3g h THR 142 N 0.02 0.07 0.00 -0.27 2.02 -0.74 -2.55 112.91 111.46 1j3g h THR 142 Ca 0.02 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1j3g h THR 142 Cb 0.06 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1j3g h THR 142 CO -0.00 0.02 -0.26 0.03 0.37 0.00 0.00 175.52 175.67 1j3g h ARG 143 N 0.00 0.00 -4.35 6.66 2.47 -0.87 -2.93 114.38 115.36 1j3g h ARG 143 Ca -0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 1j3g h ARG 143 Cb 0.33 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.27 1j3g h ARG 143 CO 0.00 0.29 -0.79 0.71 0.56 0.00 0.00 179.97 180.74 1j3g s TYR 144 N -1.93 2.16 -0.46 3.04 2.02 0.66 -4.86 117.35 117.98 1j3g s TYR 144 Ca -0.10 -1.49 -0.19 0.00 -0.37 0.00 0.00 57.07 54.93 1j3g s TYR 144 Cb 0.01 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.10 1j3g s TYR 144 CO 0.24 -0.72 0.55 -1.25 -1.57 0.00 0.00 175.55 172.81 1j3g s PRO 145 N 1.48 3.13 0.03 -1.71 0.04 -0.97 -4.13 135.00 132.86 1j3g s PRO 145 Ca -0.02 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.23 1j3g s PRO 145 Cb -0.17 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1j3g s PRO 145 CO -0.07 -1.04 0.00 0.00 0.04 0.00 0.00 177.00 175.93 1j3g n ALA 146 N 5.92 1.20 -0.32 8.56 0.00 -1.26 -4.94 120.51 129.67 1j3g n ALA 146 Ca -0.06 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.66 1j3g n ALA 146 Cb 0.46 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.53 1j3g n ALA 146 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j3g h ILE 147 N 0.00 0.46 -0.18 0.00 2.04 -1.77 -0.77 117.51 117.29 1j3g h ILE 147 Ca 0.00 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1j3g h ILE 147 Cb 0.00 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1j3g h ILE 147 CO 0.00 0.04 0.50 0.00 0.00 0.00 0.00 178.15 178.69 1j3g h ALA 148 N 1.53 1.74 0.00 1.87 0.00 -1.92 -1.66 119.26 120.83 1j3g h ALA 148 Ca 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1j3g h ALA 148 Cb 1.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1j3g h ALA 148 CO -0.18 -0.60 -0.40 0.09 0.00 0.00 0.00 179.25 178.16 1j3g n ASN 149 N -3.10 0.00 -3.46 0.00 4.13 -0.33 -4.42 115.26 108.08 1j3g n ASN 149 Ca 0.03 -1.80 -0.28 0.00 1.68 0.00 0.00 54.58 54.21 1j3g n ASN 149 Cb 0.60 -0.16 -0.11 0.00 -1.54 0.00 0.00 39.78 38.57 1j3g n ASN 149 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1j3g s ASN 150 N -0.80 2.25 -0.22 6.41 -0.87 -0.62 -4.95 114.94 116.14 1j3g s ASN 150 Ca 0.00 -2.76 0.02 0.00 -1.57 0.00 0.00 52.86 48.54 1j3g s ASN 150 Cb 0.00 -0.51 0.04 0.00 -0.02 0.00 0.00 41.25 40.76 1j3g s ASN 150 CO 0.00 -0.22 -0.13 -0.04 -2.57 0.00 0.00 177.10 174.14 1j3g s MET 151 N 0.37 2.38 0.00 -0.60 -1.94 -1.26 -3.22 119.30 115.03 1j3g s MET 151 Ca 0.26 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 1j3g s MET 151 Cb -0.08 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1j3g s MET 151 CO -0.11 -0.42 0.00 -2.37 -0.01 0.00 0.00 175.02 172.11 1j3g n THR 152 N 4.57 0.00 0.00 2.05 5.66 -0.77 -5.03 114.28 120.76 1j3g n THR 152 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1j3g n THR 152 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.00 4.85 0.00 1.09 0.00 -1.25 -0.23 105.19 109.65 1j3g n GLY 153 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.03 1.61 -0.00 -0.60 -4.60 115.22 111.59 1j3g n HIS 154 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1j3g n HIS 154 Cb 0.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 29.99 29.76 1j3g n HIS 154 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j3g n ASN 156 N -2.31 5.81 0.13 0.00 5.15 -0.92 -4.30 115.26 118.82 1j3g n ASN 156 Ca -0.11 -2.71 0.11 0.00 -0.60 0.00 0.00 54.58 51.26 1j3g n ASN 156 Cb 0.67 -1.15 0.49 0.00 -0.53 0.00 0.00 39.78 39.25 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 1.19 0.99 0.09 -1.44 -0.00 -1.26 -4.20 119.36 114.73 1j3g n ILE 157 Ca 0.20 0.44 0.00 0.00 -0.00 0.00 0.00 62.75 63.39 1j3g n ILE 157 Cb 0.59 -1.39 0.00 0.00 -0.00 0.00 0.00 39.64 38.84 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 -1.74 0.30 -2.57 -1.28 0.00 -1.26 -4.36 120.51 109.59 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 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 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 3.62 0.61 0.00 0.04 -1.26 -4.90 135.00 131.12 1j3g s PRO 159 Ca 0.00 0.46 0.38 0.00 0.04 0.00 0.00 61.00 61.88 1j3g s PRO 159 Cb 0.00 -3.96 2.02 0.00 0.04 0.00 0.00 34.50 32.60 1j3g s PRO 159 CO 0.00 -1.52 2.25 1.49 0.04 0.00 0.00 177.00 179.26 1j3g h GLU 160 N 9.49 0.00 0.00 4.56 4.81 -1.92 -2.49 114.58 129.03 1j3g h GLU 160 Ca -0.24 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1j3g h GLU 160 Cb 1.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1j3g h GLU 160 CO 1.15 0.02 -0.17 -0.09 -0.73 0.00 0.00 179.01 179.19 1j3g h ARG 161 N 0.00 0.00 -4.05 1.92 9.65 -1.97 -3.41 114.38 116.52 1j3g h ARG 161 Ca -0.00 0.00 -0.46 0.00 -1.10 0.00 0.00 59.98 58.42 1j3g h ARG 161 Cb 0.13 0.00 -0.36 0.00 -1.39 0.00 0.00 29.97 28.35 1j3g h ARG 161 CO 0.00 0.17 -0.78 0.15 2.80 0.00 0.00 179.97 182.30 1j3g s LYS 162 N -3.96 1.06 -0.01 0.20 3.01 -0.94 -4.89 119.74 114.22 1j3g s LYS 162 Ca -0.01 -0.12 0.06 0.00 -1.01 0.00 0.00 55.97 54.89 1j3g s LYS 162 Cb 0.12 -1.15 -0.09 0.00 -1.01 0.00 0.00 37.83 35.70 1j3g s LYS 162 CO 0.60 -0.18 0.17 2.41 0.51 0.00 0.00 175.35 178.86 1j3g n THR 163 N 4.58 0.00 -3.97 2.17 -1.04 -1.26 -2.17 114.28 112.58 1j3g n THR 163 Ca -0.16 -0.20 0.03 0.00 -2.04 0.00 0.00 64.05 61.68 1j3g n THR 163 Cb 0.50 0.52 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 -0.62 -0.64 0.00 0.00 175.07 173.81 1j3g s ASP 164 N -2.44 0.00 -0.87 8.00 2.15 -1.26 -1.14 116.67 121.11 1j3g s ASP 164 Ca -0.01 -0.19 -0.25 0.00 0.43 0.00 0.00 52.55 52.53 1j3g s ASP 164 Cb 0.04 0.14 -0.03 0.00 -0.30 0.00 0.00 42.92 42.77 1j3g s ASP 164 CO 0.26 -0.28 1.86 -2.16 -0.17 0.00 0.00 175.17 174.68 1j3g s PRO 165 N -2.05 2.70 0.00 4.34 0.04 -1.26 -3.85 135.00 134.92 1j3g s PRO 165 Ca 0.29 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1j3g s PRO 165 Cb -0.00 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.56 1j3g s PRO 165 CO -0.01 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.32 1j3g n GLY 166 N 6.66 0.78 0.00 0.56 0.00 -1.26 -4.87 105.19 107.06 1j3g n GLY 166 Ca 0.36 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.86 135.00 127.66 1j3g n PRO 167 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1j3g n PRO 167 Cb 0.00 -0.15 0.02 0.00 -0.04 0.00 0.00 33.50 33.33 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 -2.19 -0.19 3.54 2.88 -1.26 -4.75 113.62 111.64 1j3g n SER 168 Ca 0.00 -0.83 0.07 0.00 -1.33 0.00 0.00 58.87 56.78 1j3g n SER 168 Cb 0.00 -3.88 0.12 0.00 -0.75 0.00 0.00 64.21 59.70 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 -4.41 0.15 -3.37 0.66 -0.00 -1.26 -5.05 117.46 104.17 1j3g n PHE 169 Ca -0.19 -0.81 -0.32 0.00 -0.00 0.00 0.00 57.45 56.13 1j3g n PHE 169 Cb 0.63 -0.13 0.03 0.00 -0.00 0.00 0.00 39.48 40.01 1j3g n PHE 169 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1j3g n ASP 170 N -0.92 -6.00 0.02 -2.13 -0.08 -1.26 -4.60 116.55 101.58 1j3g n ASP 170 Ca 0.12 0.01 0.02 0.00 -1.51 0.00 0.00 54.79 53.42 1j3g n ASP 170 Cb 0.55 -2.32 0.35 0.00 2.34 0.00 0.00 41.12 42.04 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 2.17 0.48 -0.49 -0.67 4.06 -1.96 -0.80 115.95 118.74 1j3g h TRP 171 Ca -0.44 -0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.41 1j3g h TRP 171 Cb 1.31 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 29.30 1j3g h TRP 171 CO 0.02 0.44 0.04 0.00 -3.56 0.00 0.00 178.44 175.38 1j3g h ALA 172 N 1.60 0.65 0.18 1.49 0.00 -1.99 0.18 119.26 121.38 1j3g h ALA 172 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1j3g h ALA 172 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j3g h ALA 172 CO -0.00 0.42 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 1j3g h ARG 173 N 0.70 -0.23 0.18 0.00 3.08 -1.79 -2.94 114.38 113.37 1j3g h ARG 173 Ca 0.14 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1j3g h ARG 173 Cb 0.45 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1j3g h ARG 173 CO 0.02 0.06 -0.09 0.35 -1.07 0.00 0.00 179.97 179.25 1j3g h PHE 174 N -0.54 -0.22 -0.48 3.04 3.57 -1.10 -2.46 116.94 118.75 1j3g h PHE 174 Ca -0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1j3g h PHE 174 Cb 0.41 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1j3g h PHE 174 CO 0.02 -0.10 0.20 -0.09 -2.23 0.00 0.00 178.31 176.10 1j3g h ARG 175 N -0.28 0.68 -0.34 1.11 2.43 -1.07 -1.72 114.38 115.19 1j3g h ARG 175 Ca -0.02 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 1j3g h ARG 175 Cb 0.22 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1j3g h ARG 175 CO 0.04 0.56 -0.16 0.00 -1.51 0.00 0.00 179.97 178.90 1j3g h ALA 176 N 1.54 1.09 -0.10 2.80 0.00 -1.39 -3.29 119.26 119.92 1j3g h ALA 176 Ca 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1j3g h ALA 176 Cb 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1j3g h ALA 176 CO -0.02 0.56 -0.15 -0.07 0.00 0.00 0.00 179.25 179.57 1j3g h LEU 177 N 0.55 0.31-10.28 0.00 3.38 -0.84 -3.46 115.31 104.97 1j3g h LEU 177 Ca 0.09 -0.52 -0.47 0.00 0.09 0.00 0.00 57.88 57.07 1j3g h LEU 177 Cb 0.59 -0.09 0.17 0.00 0.09 0.00 0.00 40.66 41.43 1j3g h LEU 177 CO 0.04 0.77 0.17 -0.69 0.09 0.00 0.00 178.44 178.82 1j3g s VAL 178 N -4.14 2.29 -0.47 1.22 1.01 -0.93 -4.91 120.40 114.46 1j3g s VAL 178 Ca -0.15 0.09 -0.46 0.00 0.00 0.00 0.00 61.98 61.47 1j3g s VAL 178 Cb 0.04 -2.40 -0.19 0.00 0.00 0.00 0.00 36.38 33.83 1j3g s VAL 178 CO 0.74 -0.12 1.68 0.41 0.00 0.00 0.00 175.10 177.81 1j3g n THR 179 N -4.28 0.04 -0.97 3.92 -1.04 -1.26 -4.81 114.28 105.88 1j3g n THR 179 Ca 0.06 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.05 61.84 1j3g n THR 179 Cb 0.55 -0.60 -0.08 0.00 -1.82 0.00 0.00 70.33 68.38 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 4.57 2.41 -3.26 -2.82 -0.04 -1.26 -4.53 135.00 130.07 1j3g n PRO 180 Ca 0.33 -1.40 -0.23 0.00 -0.04 0.00 0.00 63.50 62.16 1j3g n PRO 180 Cb -0.03 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.14 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 3.23 -4.96 -3.15 3.54 2.88 -1.26 -4.94 113.62 108.95 1j3g n SER 181 Ca 0.51 -0.38 0.04 0.00 -1.33 0.00 0.00 58.87 57.72 1j3g n SER 181 Cb 0.47 -4.03 -0.00 0.00 -0.75 0.00 0.00 64.21 59.89 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 -2.77 -1.20 -0.30 -3.46 0.15 -1.26 -5.12 113.70 99.73 1j3g s SER 182 Ca 0.38 0.31 -0.15 0.00 0.70 0.00 0.00 55.95 57.19 1j3g s SER 182 Cb -0.19 1.83 0.18 0.00 -1.71 0.00 0.00 66.02 66.13 1j3g s SER 182 CO 0.47 -0.22 1.08 -2.28 1.20 0.00 0.00 173.24 173.49 1j3g s HIS 183 N 2.88 -0.49 0.74 3.44 2.46 -1.26 -4.97 115.29 118.08 1j3g s HIS 183 Ca 0.15 0.70 -0.13 0.00 0.47 0.00 0.00 55.06 56.24 1j3g s HIS 183 Cb -0.09 0.24 0.04 0.00 -0.13 0.00 0.00 32.58 32.64 1j3g s HIS 183 CO -0.23 -0.25 1.14 0.21 -2.47 0.00 0.00 174.74 173.14 1j3g s LYS 184 N 2.57 2.22 0.70 2.88 2.47 -1.26 -4.99 119.74 124.32 1j3g s LYS 184 Ca -0.01 1.50 0.02 0.00 -1.56 0.00 0.00 55.97 55.91 1j3g s LYS 184 Cb -0.07 -1.87 0.13 0.00 -1.46 0.00 0.00 37.83 34.56 1j3g s LYS 184 CO -0.15 -1.72 0.96 -1.83 0.16 0.00 0.00 175.35 172.78 1j3g s GLU 185 N -4.26 1.76 0.00 4.03 -1.05 -1.26 -4.85 118.70 113.08 1j3g s GLU 185 Ca 0.68 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 1j3g s GLU 185 Cb -0.23 -2.40 0.00 0.00 -0.44 0.00 0.00 34.13 31.06 1j3g s GLU 185 CO 0.48 -1.36 0.00 -0.12 0.95 0.00 0.00 175.26 175.21 1j3g n MET 186 N -2.72 0.00 0.00 -4.83 1.56 -1.10 -5.09 117.12 104.94 1j3g n MET 186 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.59 1j3g n MET 186 Cb 0.61 -2.31 0.00 0.00 2.15 0.00 0.00 33.22 33.67 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65