#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3g n LEU 2 N 0.00 -1.97 -4.64 -0.89 0.00 -1.26 -4.52 117.00 103.73 1j3g n LEU 2 Ca 0.00 0.28 -0.37 0.00 0.00 0.00 0.00 56.01 55.92 1j3g n LEU 2 Cb 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 43.42 42.25 1j3g n LEU 2 CO 0.00 -4.35 -0.09 -0.76 0.00 0.00 0.00 177.39 172.18 1j3g s LEU 3 N 1.62 4.09 0.02 -1.96 1.02 -1.26 -2.76 118.68 119.44 1j3g s LEU 3 Ca 0.52 0.17 0.06 0.00 0.02 0.00 0.00 54.13 54.90 1j3g s LEU 3 Cb -0.20 -2.22 -0.02 0.00 0.02 0.00 0.00 46.19 43.77 1j3g s LEU 3 CO 0.72 -0.02 -0.18 -0.62 0.02 0.00 0.00 176.35 176.27 1j3g s ASP 4 N 1.31 2.08 -1.13 2.29 2.15 -0.16 -4.72 116.67 118.50 1j3g s ASP 4 Ca 0.10 -0.41 -0.10 0.00 0.43 0.00 0.00 52.55 52.57 1j3g s ASP 4 Cb -0.15 -0.19 0.09 0.00 -0.30 0.00 0.00 42.92 42.37 1j3g s ASP 4 CO 0.07 0.15 0.38 -0.62 -0.17 0.00 0.00 175.17 174.99 1j3g n GLU 5 N 2.23 -2.69 -0.73 4.34 1.02 -1.26 -0.97 120.64 122.58 1j3g n GLU 5 Ca -0.16 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1j3g n GLU 5 Cb 0.54 -4.94 0.00 0.00 -0.02 0.00 0.00 31.44 27.02 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 -0.99 1.08 3.84 0.62 0.00 -1.26 -4.97 105.19 103.51 1j3g n GLY 6 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.21 1.89 -0.25 1.61 0.52 -0.14 -4.86 118.94 114.51 1j3g s TRP 7 Ca 0.00 -0.81 -0.12 0.00 0.02 0.00 0.00 56.10 55.19 1j3g s TRP 7 Cb 0.00 -1.86 -0.05 0.00 -1.15 0.00 0.00 33.47 30.41 1j3g s TRP 7 CO 0.00 -0.18 0.22 -1.17 0.02 0.00 0.00 176.95 175.84 1j3g s LEU 8 N -4.11 4.10 0.83 2.99 0.20 -1.26 -0.99 118.68 120.43 1j3g s LEU 8 Ca 0.29 0.16 -0.09 0.00 0.69 0.00 0.00 54.13 55.17 1j3g s LEU 8 Cb -0.00 -2.19 0.14 0.00 -0.43 0.00 0.00 46.19 43.71 1j3g s LEU 8 CO 0.17 0.00 1.15 0.00 -0.29 0.00 0.00 176.35 177.39 1j3g s ALA 9 N 1.32 2.89 -1.22 5.97 0.00 -1.11 -4.51 121.76 125.09 1j3g s ALA 9 Ca 0.10 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 1j3g s ALA 9 Cb -0.14 -2.52 0.04 0.00 0.00 0.00 0.00 23.12 20.50 1j3g s ALA 9 CO 0.07 -1.86 0.55 0.39 0.00 0.00 0.00 175.76 174.91 1j3g n GLU 10 N -3.28 -0.33 -3.49 0.00 4.71 -1.26 -4.07 120.64 112.91 1j3g n GLU 10 Ca 0.13 0.04 -0.14 0.00 -0.01 0.00 0.00 57.16 57.18 1j3g n GLU 10 Cb 0.60 -2.48 -0.04 0.00 -1.01 0.00 0.00 31.44 28.52 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j3g s ALA 11 N -3.71 -1.59 -0.13 0.62 0.00 -1.26 -4.45 121.76 111.25 1j3g s ALA 11 Ca 0.40 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 1j3g s ALA 11 Cb -0.23 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1j3g s ALA 11 CO 0.94 -0.59 1.10 0.50 0.00 0.00 0.00 175.76 177.71 1j3g s ARG 12 N -2.71 4.34 -0.14 0.00 6.06 0.31 -4.95 118.95 121.86 1j3g s ARG 12 Ca -0.04 1.50 -0.24 0.00 -2.50 0.00 0.00 55.73 54.45 1j3g s ARG 12 Cb -0.01 -3.60 -0.02 0.00 0.06 0.00 0.00 34.95 31.38 1j3g s ARG 12 CO -0.04 -0.48 0.78 -0.98 -2.50 0.00 0.00 175.30 172.08 1j3g s ARG 13 N 2.55 4.33 -0.41 5.12 3.03 -1.26 -1.04 118.95 131.28 1j3g s ARG 13 Ca 0.50 0.94 0.04 0.00 2.03 0.00 0.00 55.73 59.25 1j3g s ARG 13 Cb -0.20 -3.54 0.18 0.00 -1.03 0.00 0.00 34.95 30.36 1j3g s ARG 13 CO 0.16 -0.20 0.36 0.28 -1.13 0.00 0.00 175.30 174.77 1j3g n VAL 14 N 4.44 -1.16 -1.94 4.99 0.31 -0.35 -4.93 118.33 119.69 1j3g n VAL 14 Ca 0.02 -3.43 -0.42 0.00 -0.01 0.00 0.00 64.34 60.50 1j3g n VAL 14 Cb 0.50 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 1j3g n VAL 14 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1j3g s PRO 15 N -0.04 4.19 0.49 5.55 0.04 -1.26 -4.00 135.00 139.97 1j3g s PRO 15 Ca 0.33 2.31 -0.23 0.00 0.04 0.00 0.00 61.00 63.45 1j3g s PRO 15 Cb 0.05 -3.71 -0.06 0.00 0.04 0.00 0.00 34.50 30.81 1j3g s PRO 15 CO -0.19 -0.77 1.26 0.45 0.04 0.00 0.00 177.00 177.80 1j3g s SER 16 N 2.71 5.81 0.00 6.66 0.15 -1.26 -4.93 113.70 122.85 1j3g s SER 16 Ca 0.74 2.54 0.28 0.00 0.70 0.00 0.00 55.95 60.22 1j3g s SER 16 Cb -0.38 -2.62 1.13 0.00 -1.71 0.00 0.00 66.02 62.44 1j3g s SER 16 CO 0.32 -1.18 1.85 -0.81 1.20 0.00 0.00 173.24 174.62 1j3g n PRO 17 N -0.63 0.08 -3.79 5.44 -0.04 -1.26 -4.73 135.00 130.07 1j3g n PRO 17 Ca 0.08 -0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1j3g n PRO 17 Cb 0.46 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.93 -0.17 0.55 0.54 2.46 -1.26 -5.17 115.29 109.31 1j3g s HIS 18 Ca 0.16 0.45 0.07 0.00 0.47 0.00 0.00 55.06 56.20 1j3g s HIS 18 Cb 0.19 0.01 0.05 0.00 -0.13 0.00 0.00 32.58 32.70 1j3g s HIS 18 CO 0.55 -0.12 0.52 0.71 -2.47 0.00 0.00 174.74 173.94 1j3g s TYR 19 N 0.53 1.58 0.60 3.88 1.51 -1.26 -4.69 117.35 119.50 1j3g s TYR 19 Ca -0.04 -0.80 0.08 0.00 -1.01 0.00 0.00 57.07 55.31 1j3g s TYR 19 Cb -0.05 -2.01 0.10 0.00 -0.11 0.00 0.00 41.96 39.88 1j3g s TYR 19 CO -0.02 -0.68 0.83 -0.51 -1.11 0.00 0.00 175.55 174.05 1j3g s ASP 20 N -4.40 4.96 -0.20 2.29 1.01 -1.14 -4.92 116.67 114.28 1j3g s ASP 20 Ca 0.43 -0.79 -0.06 0.00 0.71 0.00 0.00 52.55 52.84 1j3g s ASP 20 Cb -0.03 0.29 0.09 0.00 1.01 0.00 0.00 42.92 44.28 1j3g s ASP 20 CO 0.27 -1.45 0.39 0.00 0.21 0.00 0.00 175.17 174.59 1j3g s ARG 22 N 2.58 0.45 -1.18 0.00 1.81 -1.26 -5.08 118.95 116.26 1j3g s ARG 22 Ca 0.01 -0.17 -0.18 0.00 -1.72 0.00 0.00 55.73 53.67 1j3g s ARG 22 Cb -0.13 -0.44 0.10 0.00 -0.45 0.00 0.00 34.95 34.03 1j3g s ARG 22 CO -0.13 0.09 1.54 -1.25 -0.68 0.00 0.00 175.30 174.87 1j3g s PRO 23 N -0.00 3.89 -0.11 3.54 0.04 -1.26 -4.85 135.00 136.25 1j3g s PRO 23 Ca 0.01 -1.95 -0.30 0.00 0.04 0.00 0.00 61.00 58.80 1j3g s PRO 23 Cb -0.03 -5.32 0.09 0.00 0.04 0.00 0.00 34.50 29.28 1j3g s PRO 23 CO -0.00 -2.07 0.81 -0.51 0.04 0.00 0.00 177.00 175.27 1j3g s ASP 24 N 3.96 -0.55 -0.26 6.66 1.01 -1.26 -5.07 116.67 121.17 1j3g s ASP 24 Ca 0.47 0.65 -0.02 0.00 0.71 0.00 0.00 52.55 54.36 1j3g s ASP 24 Cb 0.01 0.52 0.12 0.00 1.01 0.00 0.00 42.92 44.57 1j3g s ASP 24 CO 0.01 -0.47 0.27 -1.81 0.21 0.00 0.00 175.17 173.37 1j3g s ASP 25 N -1.02 1.55 0.10 0.27 1.01 -1.26 -5.09 116.67 112.24 1j3g s ASP 25 Ca -0.06 -0.53 0.02 0.00 0.71 0.00 0.00 52.55 52.69 1j3g s ASP 25 Cb -0.01 0.48 -0.04 0.00 1.01 0.00 0.00 42.92 44.36 1j3g s ASP 25 CO 0.06 -0.36 -0.05 -0.70 0.21 0.00 0.00 175.17 174.32 1j3g s GLU 26 N 2.35 0.85 -0.02 8.23 2.56 -1.26 -5.12 118.70 126.29 1j3g s GLU 26 Ca 0.09 -1.35 -0.30 0.00 0.00 0.00 0.00 54.97 53.41 1j3g s GLU 26 Cb -0.15 -0.18 -0.05 0.00 2.00 0.00 0.00 34.13 35.75 1j3g s GLU 26 CO -0.25 -0.04 1.48 1.21 -0.56 0.00 0.00 175.26 177.10 1j3g s ASN 27 N -3.05 6.78 -0.63 -1.70 2.47 -1.26 -4.94 114.94 112.61 1j3g s ASN 27 Ca 0.13 2.15 -0.28 0.00 0.42 0.00 0.00 52.86 55.28 1j3g s ASN 27 Cb 0.06 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.33 1j3g s ASN 27 CO -0.04 -0.79 1.29 -2.16 -3.72 0.00 0.00 177.10 171.68 1j3g s PRO 28 N 2.93 3.33 -0.37 0.43 0.04 -1.26 -4.79 135.00 135.30 1j3g s PRO 28 Ca 0.66 0.13 -0.04 0.00 0.04 0.00 0.00 61.00 61.79 1j3g s PRO 28 Cb -0.32 -4.11 0.21 0.00 0.04 0.00 0.00 34.50 30.32 1j3g s PRO 28 CO 0.27 -1.93 1.02 0.45 0.04 0.00 0.00 177.00 176.84 1j3g s SER 29 N 3.70 -0.52 -0.13 6.66 0.15 -1.26 -4.20 113.70 118.10 1j3g s SER 29 Ca 0.43 -0.57 -0.08 0.00 0.70 0.00 0.00 55.95 56.43 1j3g s SER 29 Cb -0.08 0.67 0.05 0.00 -1.71 0.00 0.00 66.02 64.95 1j3g s SER 29 CO 0.21 -0.02 0.32 -0.22 1.20 0.00 0.00 173.24 174.73 1j3g s LEU 30 N 1.08 0.32 -0.22 3.45 2.96 -1.26 -4.26 118.68 120.75 1j3g s LEU 30 Ca 0.24 0.67 -0.19 0.00 -0.22 0.00 0.00 54.13 54.63 1j3g s LEU 30 Cb 0.09 1.02 -0.03 0.00 0.50 0.00 0.00 46.19 47.77 1j3g s LEU 30 CO -0.10 -0.16 0.54 -0.22 -1.32 0.00 0.00 176.35 175.09 1j3g s LEU 31 N 1.07 4.11 -0.32 -0.68 2.96 -1.13 -2.95 118.68 121.74 1j3g s LEU 31 Ca -0.07 0.65 -0.09 0.00 -0.22 0.00 0.00 54.13 54.40 1j3g s LEU 31 Cb -0.08 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.89 1j3g s LEU 31 CO -0.08 -0.24 0.14 -0.69 -1.32 0.00 0.00 176.35 174.16 1j3g s VAL 32 N 1.94 4.29 -0.29 1.68 1.01 -1.21 -1.80 120.40 126.03 1j3g s VAL 32 Ca 0.24 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1j3g s VAL 32 Cb -0.16 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1j3g s VAL 32 CO 0.09 -0.03 0.05 -0.69 0.00 0.00 0.00 175.10 174.52 1j3g s VAL 33 N 1.54 3.65 -0.28 2.92 1.01 0.84 -3.93 120.40 126.14 1j3g s VAL 33 Ca 0.03 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 1j3g s VAL 33 Cb -0.18 -2.90 0.11 0.00 0.00 0.00 0.00 36.38 33.41 1j3g s VAL 33 CO 0.05 0.07 0.93 -1.38 0.00 0.00 0.00 175.10 174.77 1j3g s HIS 34 N 1.44 -0.61 -0.41 5.22 -3.43 -1.26 -4.11 115.29 112.13 1j3g s HIS 34 Ca 0.01 1.40 -0.27 0.00 -0.80 0.00 0.00 55.06 55.40 1j3g s HIS 34 Cb -0.17 0.37 0.02 0.00 -1.43 0.00 0.00 32.58 31.37 1j3g s HIS 34 CO 0.01 -0.30 0.98 1.21 -2.00 0.00 0.00 174.74 174.64 1j3g s ASN 35 N 0.60 6.65 0.46 7.38 2.47 -1.26 -3.41 114.94 127.83 1j3g s ASN 35 Ca -0.01 0.49 0.03 0.00 0.42 0.00 0.00 52.86 53.78 1j3g s ASN 35 Cb -0.05 -2.49 -0.01 0.00 -1.45 0.00 0.00 41.25 37.26 1j3g s ASN 35 CO -0.08 -0.99 0.09 -0.63 -3.72 0.00 0.00 177.10 171.77 1j3g s ILE 36 N 3.76 0.70 -0.16 -5.21 -1.09 -1.14 -4.84 121.20 113.23 1j3g s ILE 36 Ca 0.41 -2.00 -0.06 0.00 -2.23 0.00 0.00 60.65 56.76 1j3g s ILE 36 Cb -0.10 -2.18 0.07 0.00 -1.58 0.00 0.00 42.46 38.67 1j3g s ILE 36 CO 0.23 0.00 0.34 -0.55 -1.23 0.00 0.00 174.94 173.73 1j3g s SER 37 N -3.74 -0.05 0.24 3.58 0.15 -1.26 -3.15 113.70 109.48 1j3g s SER 37 Ca 0.14 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.58 1j3g s SER 37 Cb 0.01 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1j3g s SER 37 CO 0.10 -0.23 0.00 -0.11 1.20 0.00 0.00 173.24 174.20 1j3g n LEU 38 N 5.16 -0.64 -4.83 3.45 -0.00 -1.26 -5.04 117.00 113.84 1j3g n LEU 38 Ca -0.11 0.42 -0.32 0.00 -0.00 0.00 0.00 56.01 56.00 1j3g n LEU 38 Cb 0.50 0.76 -0.04 0.00 -0.00 0.00 0.00 43.42 44.65 1j3g n LEU 38 CO 0.03 -0.58 0.68 -2.16 -0.00 0.00 0.00 177.39 175.36 1j3g s PRO 39 N -1.71 3.99 -0.03 1.96 0.04 -1.26 -4.80 135.00 133.20 1j3g s PRO 39 Ca 0.00 1.03 -0.03 0.00 0.04 0.00 0.00 61.00 62.03 1j3g s PRO 39 Cb 0.00 -2.14 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 1j3g s PRO 39 CO 0.00 -0.23 2.87 -0.35 0.04 0.00 0.00 177.00 179.32 1j3g n PRO 40 N -1.32 1.59 0.00 0.56 -0.04 -1.26 -4.72 135.00 129.81 1j3g n PRO 40 Ca 0.07 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1j3g n PRO 40 Cb 0.54 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.96 -3.07 3.44 0.55 0.00 -1.26 -4.75 105.19 102.05 1j3g n GLY 41 Ca 0.25 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.69 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 -2.64 0.47 0.18 1.61 2.02 -1.26 -5.17 118.70 113.90 1j3g s GLU 42 Ca 0.00 1.16 -0.24 0.00 0.02 0.00 0.00 54.97 55.91 1j3g s GLU 42 Cb 0.00 0.43 0.05 0.00 0.10 0.00 0.00 34.13 34.72 1j3g s GLU 42 CO 0.00 -0.21 0.80 -0.06 0.02 0.00 0.00 175.26 175.81 1j3g s PHE 43 N 2.40 -0.26 -0.05 1.61 0.08 -1.26 -5.07 117.98 115.43 1j3g s PHE 43 Ca -0.05 -0.06 0.14 0.00 0.12 0.00 0.00 56.93 57.08 1j3g s PHE 43 Cb -0.11 0.63 -0.21 0.00 -0.57 0.00 0.00 43.02 42.77 1j3g s PHE 43 CO -0.16 -0.94 0.24 0.41 -0.10 0.00 0.00 175.22 174.68 1j3g n GLY 44 N -0.42 -0.66 3.78 4.36 0.00 -1.26 -5.00 105.19 105.99 1j3g n GLY 44 Ca -0.08 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.92 2.67 0.00 -0.02 0.00 -1.26 -5.00 107.32 99.79 1j3g s GLY 45 Ca -0.06 0.08 0.27 0.00 0.00 0.00 0.00 44.72 45.01 1j3g s GLY 45 CO 0.58 0.71 1.92 -1.55 0.00 0.00 0.00 173.10 174.76 1j3g n PRO 46 N 2.36 0.49 -0.18 2.90 -0.04 -1.26 -4.03 135.00 135.23 1j3g n PRO 46 Ca -0.07 0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.40 1j3g n PRO 46 Cb 0.51 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.52 1j3g n PRO 46 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1j3g h TRP 47 N 0.00 -0.21 -0.38 0.54 -0.00 -1.99 0.17 115.95 114.09 1j3g h TRP 47 Ca 0.00 0.05 -0.06 0.00 -0.00 0.00 0.00 58.89 58.88 1j3g h TRP 47 Cb 0.19 0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.52 1j3g h TRP 47 CO 0.00 -0.21 -0.00 0.82 -0.00 0.00 0.00 178.44 179.05 1j3g h ILE 48 N 0.04 1.26 -0.53 1.49 1.08 -1.87 -2.45 117.51 116.52 1j3g h ILE 48 Ca 0.27 -1.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1j3g h ILE 48 Cb 0.42 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 1j3g h ILE 48 CO -0.53 0.33 0.33 -0.78 -0.69 0.00 0.00 178.15 176.81 1j3g h ASP 49 N 0.49 0.63 -0.63 1.72 3.58 -1.62 -2.88 116.42 117.70 1j3g h ASP 49 Ca 0.11 -0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.60 1j3g h ASP 49 Cb 0.47 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.32 1j3g h ASP 49 CO 0.02 0.49 0.42 0.00 -2.88 0.00 0.00 179.24 177.29 1j3g h ALA 50 N 1.16 1.91 0.75 -0.78 0.00 -0.38 0.14 119.26 122.06 1j3g h ALA 50 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1j3g h ALA 50 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1j3g h ALA 50 CO -0.04 -0.04 -0.39 1.25 0.00 0.00 0.00 179.25 180.03 1j3g h LEU 51 N 0.52 -0.95 0.24 0.00 7.12 -1.22 -0.03 115.31 120.98 1j3g h LEU 51 Ca 0.29 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.33 1j3g h LEU 51 Cb 0.45 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 1j3g h LEU 51 CO -0.09 -0.64 -0.12 -0.26 -0.13 0.00 0.00 178.44 177.20 1j3g h PHE 52 N -1.05 -0.30 -0.61 1.25 -1.00 -1.42 -3.10 116.94 110.71 1j3g h PHE 52 Ca -0.10 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.78 1j3g h PHE 52 Cb 0.81 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.44 1j3g h PHE 52 CO 0.00 0.02 0.41 0.00 -1.61 0.00 0.00 178.31 177.14 1j3g h THR 53 N -0.66 0.87 0.00 -1.55 1.03 -0.87 -3.46 112.91 108.27 1j3g h THR 53 Ca -0.03 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1j3g h THR 53 Cb 0.46 0.45 0.00 0.00 -1.07 0.00 0.00 68.15 68.00 1j3g h THR 53 CO 0.06 0.07 0.00 0.61 -0.01 0.00 0.00 175.52 176.25 1j3g n GLY 54 N -1.53 1.55 0.34 2.99 0.00 -0.64 -5.01 105.19 102.89 1j3g n GLY 54 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1j3g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3g n THR 55 N -1.44 0.99 -1.65 2.61 -2.24 -0.14 -5.03 114.28 107.39 1j3g n THR 55 Ca 0.00 -1.00 -0.50 0.00 -2.27 0.00 0.00 64.05 60.28 1j3g n THR 55 Cb 0.00 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.04 0.17 -3.59 2.28 3.06 -0.55 -4.95 119.36 115.82 1j3g n ILE 56 Ca 0.06 -0.03 -0.37 0.00 -2.50 0.00 0.00 62.75 59.91 1j3g n ILE 56 Cb 0.34 -1.32 -0.09 0.00 0.54 0.00 0.00 39.64 39.11 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 1.90 6.17 -0.91 9.51 2.15 -1.26 -4.97 116.67 129.26 1j3g s ASP 57 Ca 0.87 0.18 -0.21 0.00 0.43 0.00 0.00 52.55 53.82 1j3g s ASP 57 Cb -0.84 -2.13 -0.12 0.00 -0.30 0.00 0.00 42.92 39.53 1j3g s ASP 57 CO 0.49 0.02 1.98 -0.81 -0.17 0.00 0.00 175.17 176.67 1j3g n PRO 58 N 4.44 1.76 -0.04 4.34 -0.04 -1.26 -4.56 135.00 139.64 1j3g n PRO 58 Ca -0.13 -2.01 -0.05 0.00 -0.04 0.00 0.00 63.50 61.27 1j3g n PRO 58 Cb 0.52 -3.01 -0.02 0.00 -0.04 0.00 0.00 33.50 30.95 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 7.45 1.13 -0.09 3.54 2.85 -1.26 -4.71 115.26 124.16 1j3g n ASN 59 Ca 0.50 0.19 -0.06 0.00 -0.11 0.00 0.00 54.58 55.09 1j3g n ASN 59 Cb 0.40 -0.57 0.01 0.00 1.24 0.00 0.00 39.78 40.86 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 -1.12 0.31 -2.74 5.20 0.00 -2.05 -3.46 119.26 115.39 1j3g h ALA 60 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1j3g h ALA 60 Cb 0.51 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1j3g h ALA 60 CO 0.00 -0.38 0.43 -3.38 0.00 0.00 0.00 179.25 175.92 1j3g s HIS 61 N -6.18 0.07 -0.05 0.00 -3.43 -1.26 -5.09 115.29 99.34 1j3g s HIS 61 Ca -0.13 -0.59 -0.19 0.00 -0.80 0.00 0.00 55.06 53.35 1j3g s HIS 61 Cb 0.12 0.76 -0.31 0.00 -1.43 0.00 0.00 32.58 31.72 1j3g s HIS 61 CO 0.70 -1.21 0.80 -1.00 -2.00 0.00 0.00 174.74 172.04 1j3g h PRO 62 N 2.00 0.32 -0.94 -0.38 0.13 -1.89 -3.37 132.00 127.87 1j3g h PRO 62 Ca -0.29 -0.55 0.27 0.00 -0.87 0.00 0.00 66.00 64.56 1j3g h PRO 62 Cb 1.23 0.20 -0.14 0.00 0.13 0.00 0.00 31.00 32.43 1j3g h PRO 62 CO 0.37 1.26 0.41 -0.92 -0.23 0.00 0.00 178.00 178.89 1j3g h TYR 63 N -0.26 0.66 0.29 1.56 3.20 -1.98 0.24 116.97 120.66 1j3g h TYR 63 Ca -0.21 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 1j3g h TYR 63 Cb 1.77 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.89 1j3g h TYR 63 CO 0.16 -0.17 -0.23 0.35 -1.64 0.00 0.00 178.16 176.64 1j3g h PHE 64 N 0.29 -0.60 -0.39 -3.82 3.04 -1.99 0.04 116.94 113.52 1j3g h PHE 64 Ca 0.64 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.52 1j3g h PHE 64 Cb 1.36 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 40.08 1j3g h PHE 64 CO -0.13 -0.34 -0.01 0.00 -2.02 0.00 0.00 178.31 175.80 1j3g h ALA 65 N 0.13 0.52 -0.66 2.41 0.00 -1.57 -3.08 119.26 117.02 1j3g h ALA 65 Ca -0.02 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1j3g h ALA 65 Cb 0.46 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1j3g h ALA 65 CO -0.02 0.31 -0.47 0.78 0.00 0.00 0.00 179.25 179.85 1j3g h GLY 66 N 0.51 -1.19 0.90 0.00 0.00 0.10 -2.27 103.07 101.13 1j3g h GLY 66 Ca 0.11 0.83 0.01 0.00 0.00 0.00 0.00 47.33 48.28 1j3g h GLY 66 CO 0.02 -0.18 0.03 0.16 0.00 0.00 0.00 176.54 176.57 1j3g h ILE 67 N -0.11 0.97 -0.83 2.60 3.07 -1.09 -3.29 117.51 118.83 1j3g h ILE 67 Ca 0.11 -0.03 0.29 0.00 1.55 0.00 0.00 64.86 66.78 1j3g h ILE 67 Cb 0.38 0.88 -0.15 0.00 -0.27 0.00 0.00 36.82 37.67 1j3g h ILE 67 CO -0.67 0.01 0.23 0.00 -1.05 0.00 0.00 178.15 176.67 1j3g n ALA 68 N -2.18 0.64 -0.32 0.16 0.00 -0.86 0.02 120.51 117.97 1j3g n ALA 68 Ca -0.05 0.87 0.03 0.00 0.00 0.00 0.00 53.44 54.29 1j3g n ALA 68 Cb 0.05 -0.75 0.17 0.00 0.00 0.00 0.00 19.45 18.93 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 1.00 -3.53 0.00 3.86 -1.62 -3.40 115.15 111.46 1j3g h HIS 69 Ca 0.61 0.03 -0.53 0.00 -1.16 0.00 0.00 60.37 59.32 1j3g h HIS 69 Cb 1.45 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 29.58 1j3g h HIS 69 CO -0.22 0.46 0.24 -0.51 0.86 0.00 0.00 177.93 178.76 1j3g s LEU 70 N -10.23 4.53 0.77 2.43 1.02 0.10 -5.04 118.68 112.27 1j3g s LEU 70 Ca -0.12 1.66 -0.15 0.00 0.02 0.00 0.00 54.13 55.54 1j3g s LEU 70 Cb 0.20 -3.39 0.04 0.00 0.02 0.00 0.00 46.19 43.06 1j3g s LEU 70 CO 0.79 0.07 1.07 -2.11 0.02 0.00 0.00 176.35 176.20 1j3g n ARG 71 N 2.26 0.35 -4.39 1.70 0.00 -1.26 -4.93 116.66 110.38 1j3g n ARG 71 Ca -0.02 0.18 -0.24 0.00 -0.00 0.00 0.00 57.85 57.77 1j3g n ARG 71 Cb 0.49 -2.33 -0.09 0.00 -0.00 0.00 0.00 32.46 30.54 1j3g n ARG 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1j3g s VAL 72 N -1.97 2.66 -0.30 8.89 -7.23 -1.26 -4.93 120.40 116.26 1j3g s VAL 72 Ca 0.73 -2.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.63 1j3g s VAL 72 Cb -0.31 -2.67 0.20 0.00 0.56 0.00 0.00 36.38 34.16 1j3g s VAL 72 CO 0.51 -0.27 1.22 -0.44 -0.31 0.00 0.00 175.10 175.80 1j3g s SER 73 N -3.64 -0.15 0.00 4.85 0.01 -1.26 -4.72 113.70 108.79 1j3g s SER 73 Ca 0.33 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1j3g s SER 73 Cb -0.02 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.31 1j3g s SER 73 CO 0.18 -0.03 0.00 0.00 0.41 0.00 0.00 173.24 173.79 1j3g n ALA 74 N 3.59 0.00 0.08 1.44 0.00 -1.26 -1.35 120.51 123.01 1j3g n ALA 74 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1j3g n ALA 74 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N 0.00 -0.96 -3.71 0.00 8.25 -1.11 -4.46 115.22 113.23 1j3g n HIS 75 Ca 0.00 0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.50 1j3g n HIS 75 Cb 0.00 0.24 -0.14 0.00 1.12 0.00 0.00 29.99 31.21 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 1.60 3.69 -0.25 0.00 1.98 -0.02 -0.39 118.68 125.30 1j3g s LEU 77 Ca -0.06 -0.89 -0.16 0.00 -2.89 0.00 0.00 54.13 50.13 1j3g s LEU 77 Cb -0.11 -1.79 -0.03 0.00 0.66 0.00 0.00 46.19 44.92 1j3g s LEU 77 CO -0.08 -0.20 0.43 -0.63 -1.89 0.00 0.00 176.35 173.99 1j3g s ILE 78 N 1.40 5.14 0.37 6.68 1.01 -0.55 -1.24 121.20 134.01 1j3g s ILE 78 Ca 0.00 0.72 -0.25 0.00 0.00 0.00 0.00 60.65 61.12 1j3g s ILE 78 Cb -0.18 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 1j3g s ILE 78 CO -0.00 0.15 1.06 -0.60 0.00 0.00 0.00 174.94 175.55 1j3g s ARG 79 N 1.97 4.28 0.66 2.79 3.52 0.11 -1.93 118.95 130.35 1j3g s ARG 79 Ca 0.18 1.57 0.21 0.00 -0.13 0.00 0.00 55.73 57.57 1j3g s ARG 79 Cb -0.15 -2.69 1.13 0.00 -1.56 0.00 0.00 34.95 31.67 1j3g s ARG 79 CO 0.09 -0.05 1.63 0.07 -0.81 0.00 0.00 175.30 176.23 1j3g h ARG 80 N 2.81 0.00 -1.09 5.12 0.11 -1.89 -0.75 114.38 118.70 1j3g h ARG 80 Ca -0.48 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.27 1j3g h ARG 80 Cb 1.21 0.00 -0.18 0.00 1.11 0.00 0.00 29.97 32.11 1j3g h ARG 80 CO 0.63 0.00 0.43 -3.47 0.10 0.00 0.00 179.97 177.66 1j3g n ASP 81 N -2.84 4.17 -2.20 0.08 2.03 -1.26 -2.78 116.55 113.75 1j3g n ASP 81 Ca 0.00 -3.03 -0.20 0.00 0.52 0.00 0.00 54.79 52.08 1j3g n ASP 81 Cb 0.61 -0.78 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 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 -0.38 -0.09 3.89 0.27 0.00 -0.30 -5.00 105.19 103.59 1j3g n GLY 82 Ca 0.37 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.81 3.51 -0.25 1.61 0.41 -1.18 -4.83 118.70 113.16 1j3g s GLU 83 Ca 0.00 -0.20 -0.01 0.00 -0.41 0.00 0.00 54.97 54.36 1j3g s GLU 83 Cb 0.00 -3.09 0.03 0.00 -1.78 0.00 0.00 34.13 29.30 1j3g s GLU 83 CO 0.00 0.67 -0.07 0.42 -0.49 0.00 0.00 175.26 175.78 1j3g s ILE 84 N -1.30 2.70 -0.01 -1.63 1.01 -1.26 -0.71 121.20 120.00 1j3g s ILE 84 Ca 0.27 -1.18 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1j3g s ILE 84 Cb -0.13 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1j3g s ILE 84 CO 0.17 0.14 -0.07 -0.69 0.00 0.00 0.00 174.94 174.49 1j3g s VAL 85 N 1.27 3.62 -0.26 2.92 1.01 -0.37 -0.53 120.40 128.06 1j3g s VAL 85 Ca -0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1j3g s VAL 85 Cb -0.17 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.69 1j3g s VAL 85 CO -0.05 0.43 -0.06 -1.58 0.00 0.00 0.00 175.10 173.84 1j3g s GLN 86 N -1.32 2.70 -0.29 2.72 0.74 -0.20 -0.84 119.66 123.18 1j3g s GLN 86 Ca 0.16 -1.06 -0.05 0.00 0.05 0.00 0.00 55.36 54.46 1j3g s GLN 86 Cb -0.11 -3.00 0.02 0.00 1.10 0.00 0.00 33.01 31.02 1j3g s GLN 86 CO 0.06 -0.45 0.04 0.71 -0.55 0.00 0.00 175.29 175.10 1j3g s TYR 87 N 1.29 3.15 -0.13 1.67 2.02 -0.49 -1.22 117.35 123.64 1j3g s TYR 87 Ca -0.02 -1.24 -0.01 0.00 -0.37 0.00 0.00 57.07 55.44 1j3g s TYR 87 Cb -0.17 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.19 1j3g s TYR 87 CO -0.04 -0.65 0.02 0.28 -1.57 0.00 0.00 175.55 173.59 1j3g n VAL 88 N 4.79 -6.50 -0.43 0.71 0.31 -1.26 -2.74 118.33 113.22 1j3g n VAL 88 Ca -0.15 0.86 0.00 0.00 -0.01 0.00 0.00 64.34 65.05 1j3g n VAL 88 Cb 0.47 -5.21 0.00 0.00 -0.91 0.00 0.00 33.84 28.19 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 0.37 -0.22 0.00 5.55 -0.04 -1.26 -4.58 135.00 134.81 1j3g n PRO 89 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1j3g n PRO 89 Cb 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 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 -1.77 0.00 -3.74 0.54 3.72 -1.26 -4.61 117.46 110.34 1j3g n PHE 90 Ca 0.00 -0.02 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 1j3g n PHE 90 Cb 0.00 -0.07 -0.12 0.00 -0.94 0.00 0.00 39.48 38.35 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1j3g s ASP 91 N 0.30 -0.33 -0.09 4.37 2.15 -1.26 -5.03 116.67 116.79 1j3g s ASP 91 Ca 0.00 0.63 -0.03 0.00 0.43 0.00 0.00 52.55 53.58 1j3g s ASP 91 Cb 0.00 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 1j3g s ASP 91 CO 0.00 -0.14 0.09 1.17 -0.17 0.00 0.00 175.17 176.12 1j3g n LYS 92 N 3.60 -0.58 -1.41 4.34 3.00 -1.26 -4.98 118.16 120.87 1j3g n LYS 92 Ca -0.19 0.89 -0.42 0.00 -0.00 0.00 0.00 58.31 58.59 1j3g n LYS 92 Cb 0.56 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.31 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 -0.29 0.37 -3.52 1.64 3.00 -1.26 -4.71 116.66 111.89 1j3g n ARG 93 Ca 0.02 0.13 -0.23 0.00 -0.00 0.00 0.00 57.85 57.78 1j3g n ARG 93 Cb 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.22 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j3g n ALA 94 N -0.80 0.77 -3.65 5.13 0.00 -1.26 -2.90 120.51 117.80 1j3g n ALA 94 Ca 0.12 -1.95 -0.06 0.00 0.00 0.00 0.00 53.44 51.55 1j3g n ALA 94 Cb 0.38 0.79 -0.08 0.00 0.00 0.00 0.00 19.45 20.54 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 -2.40 -0.96 -0.46 0.00 -0.00 -0.45 -4.55 118.94 110.11 1j3g s TRP 95 Ca 0.29 1.74 0.07 0.00 -0.00 0.00 0.00 56.10 58.20 1j3g s TRP 95 Cb -0.02 0.44 0.29 0.00 -0.00 0.00 0.00 33.47 34.18 1j3g s TRP 95 CO 0.18 -0.54 0.96 -2.39 -0.00 0.00 0.00 176.95 175.17 1j3g n HIS 96 N 5.41 -2.67 0.17 5.86 1.44 -1.26 -4.03 115.22 120.13 1j3g n HIS 96 Ca -0.09 -2.20 0.00 0.00 -2.01 0.00 0.00 57.72 53.41 1j3g n HIS 96 Cb 0.49 1.33 0.00 0.00 0.12 0.00 0.00 29.99 31.93 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 0.91 0.00 0.00 1.59 0.00 -1.26 -4.97 120.51 116.78 1j3g n ALA 97 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1j3g n ALA 97 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.42 1.88 3.12 0.00 0.00 -1.26 -4.95 105.19 102.56 1j3g n GLY 98 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 0.03 0.07 1.61 1.01 -1.26 -4.44 120.40 117.42 1j3g s VAL 99 Ca 0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 1j3g s VAL 99 Cb 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 36.38 36.09 1j3g s VAL 99 CO 0.00 -0.14 0.86 -0.94 0.00 0.00 0.00 175.10 174.88 1j3g s SER 100 N -0.48 -0.34 -0.14 3.32 1.04 -1.12 -4.81 113.70 111.16 1j3g s SER 100 Ca -0.06 -0.12 -0.26 0.00 0.48 0.00 0.00 55.95 55.98 1j3g s SER 100 Cb -0.04 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.60 1j3g s SER 100 CO 0.01 -0.77 0.65 -0.94 0.98 0.00 0.00 173.24 173.18 1j3g s SER 101 N -2.65 -0.65 -0.04 7.02 1.04 -1.26 -0.38 113.70 116.78 1j3g s SER 101 Ca 0.06 0.98 -0.29 0.00 0.48 0.00 0.00 55.95 57.18 1j3g s SER 101 Cb -0.01 0.92 0.10 0.00 0.10 0.00 0.00 66.02 67.13 1j3g s SER 101 CO -0.06 -0.42 0.89 -0.47 0.98 0.00 0.00 173.24 174.15 1j3g s TYR 102 N -0.48 -0.38 -1.39 5.02 5.04 -0.26 -4.16 117.35 120.76 1j3g s TYR 102 Ca -0.06 0.37 -0.14 0.00 -2.44 0.00 0.00 57.07 54.80 1j3g s TYR 102 Cb -0.03 0.51 0.02 0.00 0.35 0.00 0.00 41.96 42.82 1j3g s TYR 102 CO 0.05 -0.51 0.26 1.04 -1.34 0.00 0.00 175.55 175.05 1j3g n GLN 103 N 0.04 -0.65 -2.41 4.97 1.13 -1.26 -0.88 117.38 118.32 1j3g n GLN 103 Ca -0.10 0.07 -0.16 0.00 -1.94 0.00 0.00 57.00 54.87 1j3g n GLN 103 Cb 0.61 -3.06 -0.01 0.00 0.11 0.00 0.00 30.24 27.89 1j3g n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j3g n GLY 104 N -2.38 -0.46 2.84 1.08 0.00 -1.26 -4.97 105.19 100.04 1j3g n GLY 104 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1j3g n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3g s ARG 105 N -5.01 1.12 0.38 1.61 6.06 -0.06 -5.13 118.95 117.92 1j3g s ARG 105 Ca 0.00 -0.28 -0.24 0.00 -2.50 0.00 0.00 55.73 52.71 1j3g s ARG 105 Cb 0.00 -1.66 -0.10 0.00 0.06 0.00 0.00 34.95 33.25 1j3g s ARG 105 CO 0.00 -0.39 0.98 -2.00 -2.50 0.00 0.00 175.30 171.38 1j3g s GLU 106 N 1.77 4.35 -0.16 5.12 2.12 -1.26 -1.10 118.70 129.55 1j3g s GLU 106 Ca 0.03 1.33 0.00 0.00 0.36 0.00 0.00 54.97 56.68 1j3g s GLU 106 Cb -0.14 -2.54 0.03 0.00 0.26 0.00 0.00 34.13 31.74 1j3g s GLU 106 CO -0.07 0.06 -0.11 1.03 -0.54 0.00 0.00 175.26 175.63 1j3g s ARG 107 N -2.51 1.97 0.36 4.30 0.52 0.49 -4.93 118.95 119.14 1j3g s ARG 107 Ca 0.56 -0.57 0.18 0.00 -0.52 0.00 0.00 55.73 55.38 1j3g s ARG 107 Cb -0.17 -2.08 0.61 0.00 0.52 0.00 0.00 34.95 33.83 1j3g s ARG 107 CO 0.22 -0.32 1.70 0.00 0.02 0.00 0.00 175.30 176.92 1j3g s ASN 109 N -6.46 0.20 -1.23 0.00 0.01 -1.26 -4.61 114.94 101.59 1j3g s ASN 109 Ca 0.00 -1.11 -0.11 0.00 -0.71 0.00 0.00 52.86 50.93 1j3g s ASN 109 Cb 0.11 0.63 0.18 0.00 0.41 0.00 0.00 41.25 42.58 1j3g s ASN 109 CO 0.70 -1.24 1.60 -0.67 -1.51 0.00 0.00 177.10 175.98 1j3g n ASP 110 N -0.77 5.24 -2.11 -1.22 -0.08 -1.26 -4.78 116.55 111.57 1j3g n ASP 110 Ca -0.02 -3.05 -0.26 0.00 -1.51 0.00 0.00 54.79 49.95 1j3g n ASP 110 Cb 0.62 -1.51 0.07 0.00 2.34 0.00 0.00 41.12 42.63 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 4.60 2.45 -3.71 -0.67 1.16 -1.26 -4.22 117.46 115.81 1j3g n PHE 111 Ca 0.37 -2.47 -0.18 0.00 -1.87 0.00 0.00 57.45 53.30 1j3g n PHE 111 Cb 0.40 -1.19 -0.17 0.00 -1.61 0.00 0.00 39.48 36.90 1j3g n PHE 111 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1j3g s SER 112 N -0.89 0.68 -1.09 5.98 0.01 -1.26 -4.06 113.70 113.06 1j3g s SER 112 Ca 0.49 0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.73 1j3g s SER 112 Cb 0.39 -0.11 -0.13 0.00 0.21 0.00 0.00 66.02 66.38 1j3g s SER 112 CO -0.00 -0.20 2.98 0.00 0.41 0.00 0.00 173.24 176.43 1j3g n ILE 113 N 4.83 3.66 0.00 1.44 0.00 -1.26 -4.69 119.36 123.34 1j3g n ILE 113 Ca -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 62.75 60.51 1j3g n ILE 113 Cb 0.50 -2.38 0.00 0.00 0.00 0.00 0.00 39.64 37.76 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 3.32 0.94 3.38 4.50 0.00 -1.15 -4.79 105.19 111.39 1j3g n GLY 114 Ca 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.56 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 0.18 0.05 -0.03 -0.61 -1.09 -1.26 -4.59 121.20 113.86 1j3g s ILE 115 Ca 0.00 -1.30 -0.01 0.00 -2.23 0.00 0.00 60.65 57.11 1j3g s ILE 115 Cb 0.00 -1.84 0.02 0.00 -1.58 0.00 0.00 42.46 39.07 1j3g s ILE 115 CO 0.00 -0.24 0.06 -0.70 -1.23 0.00 0.00 174.94 172.82 1j3g s GLU 116 N -3.96 0.02 0.32 2.79 2.12 0.48 -3.34 118.70 117.13 1j3g s GLU 116 Ca 0.17 0.17 0.07 0.00 0.36 0.00 0.00 54.97 55.73 1j3g s GLU 116 Cb 0.02 -0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 1j3g s GLU 116 CO 0.00 -0.10 0.41 -0.51 -0.54 0.00 0.00 175.26 174.52 1j3g s LEU 117 N 0.66 3.95 0.09 2.70 1.02 -1.22 -1.48 118.68 124.40 1j3g s LEU 117 Ca -0.05 -0.21 0.06 0.00 0.02 0.00 0.00 54.13 53.94 1j3g s LEU 117 Cb -0.07 -2.65 -0.03 0.00 0.02 0.00 0.00 46.19 43.45 1j3g s LEU 117 CO -0.02 -0.35 -0.15 -0.70 0.02 0.00 0.00 176.35 175.14 1j3g s GLU 118 N -4.10 0.91 0.25 1.70 -6.30 -0.81 -2.87 118.70 107.49 1j3g s GLU 118 Ca 0.42 -1.04 -0.21 0.00 -2.50 0.00 0.00 54.97 51.64 1j3g s GLU 118 Cb -0.09 -0.95 0.05 0.00 0.00 0.00 0.00 34.13 33.15 1j3g s GLU 118 CO 0.30 0.21 0.87 0.20 0.02 0.00 0.00 175.26 176.85 1j3g s GLY 119 N -1.89 0.02 -0.24 -1.50 0.00 -1.19 -3.44 107.32 99.08 1j3g s GLY 119 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.41 1j3g s GLY 119 CO 0.03 0.35 0.37 -0.51 0.00 0.00 0.00 173.10 173.34 1j3g s THR 120 N -3.00 -0.59 -1.32 0.90 -4.23 -1.26 -4.65 115.64 101.49 1j3g s THR 120 Ca 0.15 -0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.54 1j3g s THR 120 Cb -0.04 -0.80 -0.00 0.00 1.34 0.00 0.00 72.50 73.00 1j3g s THR 120 CO 0.06 -0.12 0.56 -0.67 -0.54 0.00 0.00 174.62 173.92 1j3g n ASP 121 N 5.36 -1.77 -3.83 3.99 2.03 -1.26 -2.08 116.55 118.99 1j3g n ASP 121 Ca -0.04 -0.98 -0.30 0.00 0.52 0.00 0.00 54.79 53.99 1j3g n ASP 121 Cb 0.50 -3.29 -0.01 0.00 -0.72 0.00 0.00 41.12 37.60 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 -4.33 -1.02 -1.72 5.18 -2.24 -1.26 -4.94 114.28 103.95 1j3g n THR 122 Ca -0.25 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 1j3g n THR 122 Cb 0.66 -1.73 0.04 0.00 -2.10 0.00 0.00 70.33 67.20 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 -4.09 4.94 -4.72 3.22 0.00 -0.88 -4.79 117.00 110.69 1j3g n LEU 123 Ca 0.04 0.99 -0.61 0.00 0.00 0.00 0.00 56.01 56.43 1j3g n LEU 123 Cb 0.51 -1.54 -0.08 0.00 0.00 0.00 0.00 43.42 42.31 1j3g n LEU 123 CO 0.70 -0.73 1.23 0.00 0.00 0.00 0.00 177.39 178.58 1j3g n ALA 124 N -0.89 -0.74 1.68 1.96 0.00 -1.26 -4.83 120.51 116.43 1j3g n ALA 124 Ca 0.10 0.44 0.01 0.00 0.00 0.00 0.00 53.44 53.99 1j3g n ALA 124 Cb 0.44 -2.10 0.04 0.00 0.00 0.00 0.00 19.45 17.83 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 4.67 0.13 -3.43 0.00 4.01 -1.26 -4.67 117.16 116.60 1j3g n TYR 125 Ca 0.28 -0.06 -0.28 0.00 -0.16 0.00 0.00 57.90 57.68 1j3g n TYR 125 Cb 0.06 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.22 -3.04 0.00 -0.72 -2.24 -1.12 -4.47 114.28 102.46 1j3g n THR 126 Ca 0.03 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1j3g n THR 126 Cb 0.09 -2.75 0.00 0.00 -2.10 0.00 0.00 70.33 65.57 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 -1.21 0.00 -0.33 3.42 8.00 -1.26 -0.09 116.55 125.09 1j3g n ASP 127 Ca -0.19 0.00 0.17 0.00 0.71 0.00 0.00 54.79 55.48 1j3g n ASP 127 Cb 0.60 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 42.08 1j3g n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j3g h ALA 128 N 0.00 1.67 -0.17 2.24 0.00 -1.98 0.72 119.26 121.75 1j3g h ALA 128 Ca 0.00 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1j3g h ALA 128 Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1j3g h ALA 128 CO 0.00 -0.37 -0.43 1.96 0.00 0.00 0.00 179.25 180.41 1j3g h GLN 129 N 0.44 -0.46 -0.75 0.00 4.20 -0.72 -0.41 115.11 117.42 1j3g h GLN 129 Ca 0.63 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.44 1j3g h GLN 129 Cb 1.26 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 29.08 1j3g h GLN 129 CO -0.53 -0.31 0.43 1.88 -0.67 0.00 0.00 178.83 179.63 1j3g h TYR 130 N -0.48 0.78 0.56 2.96 0.05 -1.08 0.16 116.97 119.92 1j3g h TYR 130 Ca 0.08 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1j3g h TYR 130 Cb 0.63 -0.24 0.01 0.00 1.01 0.00 0.00 36.73 38.13 1j3g h TYR 130 CO -0.51 0.36 -0.27 1.96 -1.05 0.00 0.00 178.16 178.65 1j3g h GLN 131 N 0.76 -0.72 -0.24 4.88 4.20 -0.85 -1.02 115.11 122.12 1j3g h GLN 131 Ca 0.34 0.05 -0.07 0.00 0.06 0.00 0.00 58.65 59.03 1j3g h GLN 131 Cb 0.23 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1j3g h GLN 131 CO -0.20 -0.42 -0.16 1.96 -0.67 0.00 0.00 178.83 179.34 1j3g h GLN 132 N -0.97 0.42 -0.32 1.46 4.20 -0.96 -2.40 115.11 116.52 1j3g h GLN 132 Ca -0.08 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1j3g h GLN 132 Cb 0.64 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1j3g h GLN 132 CO 0.13 0.57 0.18 1.25 -0.67 0.00 0.00 178.83 180.29 1j3g h LEU 133 N 0.39 0.41 -0.69 1.46 5.85 -0.66 -1.40 115.31 120.66 1j3g h LEU 133 Ca 0.07 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1j3g h LEU 133 Cb 0.51 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1j3g h LEU 133 CO 0.03 0.38 0.36 0.00 -0.34 0.00 0.00 178.44 178.87 1j3g h ALA 134 N 1.05 0.94 -0.10 1.25 0.00 -0.87 0.16 119.26 121.68 1j3g h ALA 134 Ca 0.11 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1j3g h ALA 134 Cb 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1j3g h ALA 134 CO -0.02 -0.01 -0.23 0.00 0.00 0.00 0.00 179.25 179.00 1j3g h ALA 135 N 1.39 -0.22 -0.52 0.00 0.00 -0.98 0.23 119.26 119.15 1j3g h ALA 135 Ca 0.33 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1j3g h ALA 135 Cb 0.28 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1j3g h ALA 135 CO -0.23 -0.70 0.23 0.28 0.00 0.00 0.00 179.25 178.83 1j3g h VAL 136 N -0.31 0.89 -0.03 0.00 2.07 -0.49 -0.82 116.25 117.55 1j3g h VAL 136 Ca 0.09 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1j3g h VAL 136 Cb 0.44 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1j3g h VAL 136 CO -0.28 0.08 -0.01 0.74 0.02 0.00 0.00 177.57 178.12 1j3g h THR 137 N 0.44 0.95 -0.77 2.57 2.02 0.45 0.20 112.91 118.76 1j3g h THR 137 Ca 0.24 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.43 1j3g h THR 137 Cb 0.21 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1j3g h THR 137 CO -0.21 0.00 0.51 0.78 0.37 0.00 0.00 175.52 176.97 1j3g h ASN 138 N -0.01 0.90 -0.40 4.18 4.21 -0.43 -0.88 115.58 123.15 1j3g h ASN 138 Ca 0.02 -0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.45 1j3g h ASN 138 Cb 0.04 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 1j3g h ASN 138 CO -0.04 0.66 0.05 0.00 -1.29 0.00 0.00 177.43 176.80 1j3g h ALA 139 N 1.28 0.53 -0.42 -0.83 0.00 -0.73 -2.03 119.26 117.06 1j3g h ALA 139 Ca 0.28 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1j3g h ALA 139 Cb -0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1j3g h ALA 139 CO -0.06 0.27 0.15 -0.07 0.00 0.00 0.00 179.25 179.54 1j3g h LEU 140 N 0.52 0.17 -1.28 0.00 3.38 -0.24 -1.95 115.31 115.92 1j3g h LEU 140 Ca 0.12 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1j3g h LEU 140 Cb 0.40 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1j3g h LEU 140 CO 0.01 0.13 0.50 0.40 0.09 0.00 0.00 178.44 179.58 1j3g h ILE 141 N 0.32 1.13 0.00 1.22 2.04 -1.04 0.32 117.51 121.50 1j3g h ILE 141 Ca 0.19 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1j3g h ILE 141 Cb 0.17 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1j3g h ILE 141 CO -0.19 0.17 0.00 0.41 0.00 0.00 0.00 178.15 178.54 1j3g n THR 142 N -4.45 1.00 -0.06 -0.27 -1.04 -0.76 -3.50 114.28 105.20 1j3g n THR 142 Ca 0.09 0.44 -0.13 0.00 -2.04 0.00 0.00 64.05 62.42 1j3g n THR 142 Cb 0.10 -1.39 -0.04 0.00 -1.82 0.00 0.00 70.33 67.18 1j3g n THR 142 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j3g n ARG 143 N -2.15 0.26 -3.93 -2.82 5.12 -0.04 -4.97 116.66 108.13 1j3g n ARG 143 Ca 0.01 0.11 -0.30 0.00 -1.93 0.00 0.00 57.85 55.75 1j3g n ARG 143 Cb 0.14 -0.94 -0.16 0.00 -1.16 0.00 0.00 32.46 30.34 1j3g n ARG 143 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1j3g s TYR 144 N -2.24 2.12 -0.46 -1.55 1.51 0.92 -5.11 117.35 112.54 1j3g s TYR 144 Ca -0.17 -1.45 -0.17 0.00 -1.01 0.00 0.00 57.07 54.27 1j3g s TYR 144 Cb 0.06 -1.49 0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1j3g s TYR 144 CO 0.22 -0.71 0.46 -1.25 -1.11 0.00 0.00 175.55 173.16 1j3g s PRO 145 N 1.49 3.06 0.07 -1.71 0.04 -1.23 -3.80 135.00 132.92 1j3g s PRO 145 Ca -0.02 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.03 1j3g s PRO 145 Cb -0.17 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1j3g s PRO 145 CO -0.07 -0.99 0.00 0.00 0.04 0.00 0.00 177.00 175.98 1j3g n ALA 146 N 5.59 1.21 -0.37 8.56 0.00 -1.26 -4.92 120.51 129.32 1j3g n ALA 146 Ca -0.09 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.67 1j3g n ALA 146 Cb 0.46 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.55 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 0.37 -0.43 0.00 2.04 -1.76 0.48 117.51 118.20 1j3g h ILE 147 Ca 0.00 -0.06 0.13 0.00 1.00 0.00 0.00 64.86 65.93 1j3g h ILE 147 Cb 0.00 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1j3g h ILE 147 CO 0.00 0.03 0.43 0.00 0.00 0.00 0.00 178.15 178.61 1j3g h ALA 148 N 1.50 2.17 0.00 1.87 0.00 -1.91 -2.18 119.26 120.71 1j3g h ALA 148 Ca 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1j3g h ALA 148 Cb 2.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1j3g h ALA 148 CO -0.20 -0.66 -0.32 0.09 0.00 0.00 0.00 179.25 178.16 1j3g n ASN 149 N -3.81 0.49 -3.42 0.00 4.13 0.10 -4.73 115.26 108.01 1j3g n ASN 149 Ca 0.08 -2.05 -0.28 0.00 1.68 0.00 0.00 54.58 54.01 1j3g n ASN 149 Cb 0.62 -0.20 -0.11 0.00 -1.54 0.00 0.00 39.78 38.55 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 -1.19 1.98 -0.12 6.41 -0.87 -0.82 -4.91 114.94 115.42 1j3g s ASN 150 Ca 0.06 -2.76 0.03 0.00 -1.57 0.00 0.00 52.86 48.61 1j3g s ASN 150 Cb 0.05 -0.43 0.01 0.00 -0.02 0.00 0.00 41.25 40.86 1j3g s ASN 150 CO 0.01 -0.22 -0.22 -0.04 -2.57 0.00 0.00 177.10 174.05 1j3g s MET 151 N 0.41 2.99 0.00 -0.60 -1.94 -1.26 -2.86 119.30 116.04 1j3g s MET 151 Ca 0.28 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 1j3g s MET 151 Cb -0.06 -2.36 0.00 0.00 2.01 0.00 0.00 34.83 34.42 1j3g s MET 151 CO -0.13 0.05 0.00 -2.37 -0.01 0.00 0.00 175.02 172.56 1j3g n THR 152 N 3.89 0.00 0.00 2.05 5.66 -0.74 -5.01 114.28 120.13 1j3g n THR 152 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1j3g n THR 152 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 3.44 0.01 1.09 0.00 -1.26 -0.12 105.19 108.36 1j3g n GLY 153 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 0.75 1.61 -0.00 -0.29 -4.48 115.22 112.81 1j3g n HIS 154 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 1j3g n HIS 154 Cb 0.00 -0.25 -0.11 0.00 -0.00 0.00 0.00 29.99 29.63 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 -1.51 6.42 0.00 0.00 5.15 -0.86 -4.40 115.26 120.06 1j3g n ASN 156 Ca 0.03 -3.08 0.08 0.00 -0.60 0.00 0.00 54.58 51.01 1j3g n ASN 156 Cb 0.30 -1.12 0.38 0.00 -0.53 0.00 0.00 39.78 38.82 1j3g n ASN 156 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1j3g n ILE 157 N 0.58 0.75 0.09 -1.44 -0.00 -1.26 -4.58 119.36 113.50 1j3g n ILE 157 Ca 0.35 0.19 0.00 0.00 -0.00 0.00 0.00 62.75 63.29 1j3g n ILE 157 Cb 0.58 -0.90 0.00 0.00 -0.00 0.00 0.00 39.64 39.32 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 -1.45 0.00 -2.54 -1.28 0.00 -1.26 -4.52 120.51 109.46 1j3g n ALA 158 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1j3g n ALA 158 Cb 0.18 0.00 -0.07 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 3.44 0.59 0.00 0.04 -1.26 -4.94 135.00 130.88 1j3g s PRO 159 Ca 0.00 -0.20 0.29 0.00 0.04 0.00 0.00 61.00 61.13 1j3g s PRO 159 Cb 0.00 -3.89 1.77 0.00 0.04 0.00 0.00 34.50 32.42 1j3g s PRO 159 CO 0.00 -0.89 2.21 1.49 0.04 0.00 0.00 177.00 179.84 1j3g h GLU 160 N 8.71 0.00 0.00 4.56 4.81 -1.90 -2.14 114.58 128.62 1j3g h GLU 160 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1j3g h GLU 160 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1j3g h GLU 160 CO 0.87 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 177.02 1j3g n ARG 161 N -3.83 0.27 -3.79 1.92 0.63 -1.26 -4.38 116.66 106.22 1j3g n ARG 161 Ca -0.02 0.12 -0.17 0.00 -0.92 0.00 0.00 57.85 56.86 1j3g n ARG 161 Cb 0.16 -1.50 -0.17 0.00 0.45 0.00 0.00 32.46 31.40 1j3g n ARG 161 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1j3g s LYS 162 N -2.53 0.07 0.00 -0.14 3.01 -0.81 -5.04 119.74 114.31 1j3g s LYS 162 Ca 0.17 0.20 0.00 0.00 -1.01 0.00 0.00 55.97 55.33 1j3g s LYS 162 Cb 0.11 -0.40 0.00 0.00 -1.01 0.00 0.00 37.83 36.53 1j3g s LYS 162 CO 0.26 -0.20 0.00 2.41 0.51 0.00 0.00 175.35 178.32 1j3g n THR 163 N 4.47 0.00 -3.97 2.17 -1.04 -1.26 -2.03 114.28 112.62 1j3g n THR 163 Ca -0.21 -0.15 0.02 0.00 -2.04 0.00 0.00 64.05 61.66 1j3g n THR 163 Cb 0.50 0.63 0.01 0.00 -1.82 0.00 0.00 70.33 69.65 1j3g n THR 163 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1j3g n ASP 164 N -1.07 -1.12 -2.30 8.00 2.03 -1.26 -0.79 116.55 120.04 1j3g n ASP 164 Ca 0.00 -1.30 -0.12 0.00 0.52 0.00 0.00 54.79 53.89 1j3g n ASP 164 Cb 0.00 1.75 -0.11 0.00 -0.72 0.00 0.00 41.12 42.04 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 -0.79 1.67 0.00 -0.67 -0.04 -1.26 -4.06 135.00 129.85 1j3g n PRO 165 Ca 0.03 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 1j3g n PRO 165 Cb 0.51 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1j3g n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3g n GLY 166 N 2.79 0.26 0.00 0.55 0.00 -1.26 -5.08 105.19 102.45 1j3g n GLY 166 Ca 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.26 -4.38 135.00 127.11 1j3g n PRO 167 Ca 0.00 0.30 -0.26 0.00 -0.04 0.00 0.00 63.50 63.49 1j3g n PRO 167 Cb 0.00 -0.98 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.39 -3.42 -1.76 3.54 2.88 -1.26 -4.69 113.62 107.52 1j3g n SER 168 Ca 0.00 -0.79 0.07 0.00 -1.33 0.00 0.00 58.87 56.83 1j3g n SER 168 Cb 0.00 -3.99 0.38 0.00 -0.75 0.00 0.00 64.21 59.85 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 -4.54 1.84 -3.64 0.66 7.35 -1.26 -4.97 117.46 112.90 1j3g n PHE 169 Ca -0.10 -0.66 -0.20 0.00 -0.76 0.00 0.00 57.45 55.73 1j3g n PHE 169 Cb 0.59 -0.42 0.00 0.00 0.35 0.00 0.00 39.48 40.00 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 0.76 -5.44 0.12 -2.13 -0.08 -1.26 -4.53 116.55 103.99 1j3g n ASP 170 Ca 0.26 -0.76 0.16 0.00 -1.51 0.00 0.00 54.79 52.94 1j3g n ASP 170 Cb 1.07 -2.37 0.70 0.00 2.34 0.00 0.00 41.12 42.87 1j3g n ASP 170 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1j3g h TRP 171 N -0.03 0.00 0.25 -0.67 4.06 -1.98 -0.16 115.95 117.43 1j3g h TRP 171 Ca -0.51 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.43 1j3g h TRP 171 Cb 1.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.49 1j3g h TRP 171 CO 0.21 0.00 -0.12 0.00 -3.56 0.00 0.00 178.44 174.97 1j3g h ALA 172 N 1.82 -0.34 -0.13 1.49 0.00 -1.99 -2.12 119.26 117.99 1j3g h ALA 172 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j3g h ALA 172 Cb 0.60 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1j3g h ALA 172 CO -0.00 -0.53 0.01 0.00 0.00 0.00 0.00 179.25 178.73 1j3g h ARG 173 N -0.66 0.23 0.57 0.00 3.08 -1.70 -2.31 114.38 113.60 1j3g h ARG 173 Ca -0.03 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1j3g h ARG 173 Cb 0.46 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.50 1j3g h ARG 173 CO 0.06 0.46 -0.27 0.35 -1.07 0.00 0.00 179.97 179.49 1j3g h PHE 174 N -0.02 -0.71 -0.71 3.04 3.57 -1.15 0.68 116.94 121.63 1j3g h PHE 174 Ca 0.04 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1j3g h PHE 174 Cb 0.35 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1j3g h PHE 174 CO 0.03 -0.44 0.47 -0.09 -2.23 0.00 0.00 178.31 176.05 1j3g h ARG 175 N -0.77 0.82 -0.29 1.11 1.12 -1.46 -1.67 114.38 113.23 1j3g h ARG 175 Ca -0.08 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.69 1j3g h ARG 175 Cb 0.59 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.36 1j3g h ARG 175 CO 0.13 0.54 -0.01 0.00 -3.11 0.00 0.00 179.97 177.52 1j3g h ALA 176 N 1.59 0.40 -0.28 2.80 0.00 -1.10 -3.34 119.26 119.32 1j3g h ALA 176 Ca 0.29 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1j3g h ALA 176 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1j3g h ALA 176 CO -0.08 0.16 0.07 -0.07 0.00 0.00 0.00 179.25 179.33 1j3g h LEU 177 N 0.31 0.43-10.23 0.00 3.38 -0.07 -3.45 115.31 105.68 1j3g h LEU 177 Ca 0.08 -0.23 -0.47 0.00 0.09 0.00 0.00 57.88 57.36 1j3g h LEU 177 Cb 0.46 -0.11 0.19 0.00 0.09 0.00 0.00 40.66 41.28 1j3g h LEU 177 CO 0.02 0.55 0.12 -0.69 0.09 0.00 0.00 178.44 178.53 1j3g s VAL 178 N -5.30 2.17 -0.01 1.22 1.01 -0.71 -4.92 120.40 113.87 1j3g s VAL 178 Ca -0.13 0.06 -0.39 0.00 0.00 0.00 0.00 61.98 61.52 1j3g s VAL 178 Cb 0.08 -2.24 -0.18 0.00 0.00 0.00 0.00 36.38 34.04 1j3g s VAL 178 CO 0.74 -0.07 1.31 0.41 0.00 0.00 0.00 175.10 177.48 1j3g n THR 179 N -4.50 0.03 -0.77 3.92 -1.04 -1.26 -4.82 114.28 105.84 1j3g n THR 179 Ca 0.06 -0.01 -0.07 0.00 -2.04 0.00 0.00 64.05 61.99 1j3g n THR 179 Cb 0.54 -0.58 -0.07 0.00 -1.82 0.00 0.00 70.33 68.40 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 2.54 1.52 -4.20 -2.82 -0.04 -1.26 -4.65 135.00 126.09 1j3g n PRO 180 Ca 0.20 -0.62 -0.35 0.00 -0.04 0.00 0.00 63.50 62.70 1j3g n PRO 180 Cb 0.14 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 1j3g n PRO 180 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 181 N 1.80 -2.75 -1.07 3.54 2.88 -1.26 -4.80 113.62 111.95 1j3g n SER 181 Ca 0.22 -1.03 -0.04 0.00 -1.33 0.00 0.00 58.87 56.69 1j3g n SER 181 Cb 0.68 -2.73 -0.04 0.00 -0.75 0.00 0.00 64.21 61.37 1j3g n SER 181 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1j3g n SER 182 N -2.70 -0.47 -2.96 -3.46 2.88 -1.26 -5.02 113.62 100.63 1j3g n SER 182 Ca 0.02 -1.94 -0.15 0.00 -1.33 0.00 0.00 58.87 55.46 1j3g n SER 182 Cb 0.52 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1j3g n SER 182 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1j3g n HIS 183 N 0.11 -1.78 -3.77 0.66 -0.00 -1.26 -5.10 115.22 104.09 1j3g n HIS 183 Ca -0.18 -2.71 -0.13 0.00 -0.00 0.00 0.00 57.72 54.70 1j3g n HIS 183 Cb 0.79 0.63 -0.10 0.00 -0.00 0.00 0.00 29.99 31.32 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 -0.42 0.50 -0.03 1.57 2.47 -1.26 -5.02 119.74 117.56 1j3g s LYS 184 Ca 0.33 0.15 0.04 0.00 -1.56 0.00 0.00 55.97 54.92 1j3g s LYS 184 Cb 0.23 0.23 -0.00 0.00 -1.46 0.00 0.00 37.83 36.83 1j3g s LYS 184 CO -0.15 -0.11 -0.13 -1.83 0.16 0.00 0.00 175.35 173.29 1j3g s GLU 185 N -0.52 1.28 -0.11 4.03 -1.05 -1.26 -4.96 118.70 116.11 1j3g s GLU 185 Ca -0.06 -0.47 -0.08 0.00 -0.15 0.00 0.00 54.97 54.21 1j3g s GLU 185 Cb -0.04 -1.18 0.03 0.00 -0.44 0.00 0.00 34.13 32.50 1j3g s GLU 185 CO 0.02 0.22 0.15 -0.12 0.95 0.00 0.00 175.26 176.49 1j3g n MET 186 N 3.04 -3.32 -0.29 -4.83 0.00 -1.26 -5.19 117.12 105.28 1j3g n MET 186 Ca -0.17 2.59 0.00 0.00 0.00 0.00 0.00 57.70 60.13 1j3g n MET 186 Cb 0.54 -3.38 0.00 0.00 0.00 0.00 0.00 33.22 30.38 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38