#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 2.62 -3.90 -0.89 7.94 -1.26 -5.00 117.00 116.50 1j3g n LEU 2 Ca 0.00 1.06 -0.17 0.00 -1.11 0.00 0.00 56.01 55.79 1j3g n LEU 2 Cb 0.00 -1.25 -0.15 0.00 0.53 0.00 0.00 43.42 42.55 1j3g n LEU 2 CO 0.00 -0.44 -0.39 -0.76 -1.11 0.00 0.00 177.39 174.69 1j3g s LEU 3 N 2.72 1.65 0.06 -1.96 1.43 -1.26 -3.67 118.68 117.65 1j3g s LEU 3 Ca 0.91 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1j3g s LEU 3 Cb -0.89 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 1j3g s LEU 3 CO 0.54 -0.01 -0.08 -0.62 0.23 0.00 0.00 176.35 176.42 1j3g s ASP 4 N 0.39 1.01 -1.22 2.29 -1.08 -0.37 -4.72 116.67 112.98 1j3g s ASP 4 Ca -0.04 -0.70 -0.05 0.00 -0.52 0.00 0.00 52.55 51.24 1j3g s ASP 4 Cb -0.08 0.05 0.04 0.00 -1.46 0.00 0.00 42.92 41.47 1j3g s ASP 4 CO -0.00 -0.28 0.32 -0.62 0.52 0.00 0.00 175.17 175.10 1j3g n GLU 5 N 0.97 -3.13 -1.59 4.34 -0.58 -1.26 -0.36 120.64 119.03 1j3g n GLU 5 Ca -0.19 0.57 -0.20 0.00 -0.42 0.00 0.00 57.16 56.91 1j3g n GLU 5 Cb 0.57 -5.25 -0.09 0.00 -0.57 0.00 0.00 31.44 26.10 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 -1.07 1.94 3.46 0.62 0.00 -1.26 -4.95 105.19 103.92 1j3g n GLY 6 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.73 1.77 0.19 1.61 0.52 0.51 -5.11 118.94 115.70 1j3g s TRP 7 Ca 0.00 -1.30 -0.32 0.00 0.02 0.00 0.00 56.10 54.50 1j3g s TRP 7 Cb 0.00 -1.08 -0.11 0.00 -1.15 0.00 0.00 33.47 31.13 1j3g s TRP 7 CO 0.00 -0.36 1.67 -1.17 0.02 0.00 0.00 176.95 177.11 1j3g s LEU 8 N -3.54 4.37 0.52 2.99 1.98 -1.26 -1.23 118.68 122.51 1j3g s LEU 8 Ca 0.28 2.77 -0.23 0.00 -2.89 0.00 0.00 54.13 54.07 1j3g s LEU 8 Cb 0.03 -3.60 -0.06 0.00 0.66 0.00 0.00 46.19 43.23 1j3g s LEU 8 CO 0.16 -0.92 1.36 0.00 -1.89 0.00 0.00 176.35 175.06 1j3g n ALA 9 N 4.03 1.64 -4.12 5.97 0.00 -1.24 -3.77 120.51 123.02 1j3g n ALA 9 Ca 0.15 0.16 -0.46 0.00 0.00 0.00 0.00 53.44 53.30 1j3g n ALA 9 Cb 0.36 -2.35 0.01 0.00 0.00 0.00 0.00 19.45 17.47 1j3g n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j3g n GLU 10 N -0.76 -0.31 -4.06 0.00 1.02 -1.26 -4.87 120.64 110.40 1j3g n GLU 10 Ca 0.09 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1j3g n GLU 10 Cb 0.44 -2.61 -0.10 0.00 -0.02 0.00 0.00 31.44 29.14 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j3g s ALA 11 N -3.63 0.42 -0.19 0.62 0.00 -1.25 -4.49 121.76 113.24 1j3g s ALA 11 Ca 0.44 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 1j3g s ALA 11 Cb -0.24 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1j3g s ALA 11 CO 0.98 -0.29 0.64 0.50 0.00 0.00 0.00 175.76 177.59 1j3g s ARG 12 N -3.11 4.23 0.02 0.00 6.06 0.18 -4.96 118.95 121.36 1j3g s ARG 12 Ca -0.00 0.65 -0.26 0.00 -2.50 0.00 0.00 55.73 53.62 1j3g s ARG 12 Cb 0.02 -3.57 -0.05 0.00 0.06 0.00 0.00 34.95 31.41 1j3g s ARG 12 CO -0.07 -0.23 0.82 -0.98 -2.50 0.00 0.00 175.30 172.34 1j3g s ARG 13 N 1.87 4.52 -0.43 5.12 1.70 -1.26 -0.79 118.95 129.68 1j3g s ARG 13 Ca 0.30 1.14 0.08 0.00 -0.47 0.00 0.00 55.73 56.78 1j3g s ARG 13 Cb -0.16 -3.40 0.25 0.00 -0.57 0.00 0.00 34.95 31.06 1j3g s ARG 13 CO 0.11 0.16 0.55 0.28 -1.08 0.00 0.00 175.30 175.31 1j3g n VAL 14 N 3.25 -0.27 -2.69 4.99 0.31 -0.37 -4.92 118.33 118.62 1j3g n VAL 14 Ca 0.00 -4.17 -0.41 0.00 -0.01 0.00 0.00 64.34 59.75 1j3g n VAL 14 Cb 0.50 -1.97 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 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 -1.33 4.69 -0.29 5.55 0.04 -1.26 -4.45 135.00 137.95 1j3g s PRO 15 Ca 0.36 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 1j3g s PRO 15 Cb 0.16 -3.35 0.17 0.00 0.04 0.00 0.00 34.50 31.51 1j3g s PRO 15 CO -0.10 0.21 0.59 0.45 0.04 0.00 0.00 177.00 178.20 1j3g s SER 16 N -0.10 -1.18 -1.44 6.66 0.15 -1.26 -5.07 113.70 111.46 1j3g s SER 16 Ca 0.47 1.04 -0.13 0.00 0.70 0.00 0.00 55.95 58.03 1j3g s SER 16 Cb -0.25 2.12 0.05 0.00 -1.71 0.00 0.00 66.02 66.23 1j3g s SER 16 CO 0.31 -0.25 2.20 -0.81 1.20 0.00 0.00 173.24 175.89 1j3g n PRO 17 N 5.43 2.96 -2.28 5.44 -0.04 -1.26 -4.49 135.00 140.76 1j3g n PRO 17 Ca -0.05 -2.70 -0.22 0.00 -0.04 0.00 0.00 63.50 60.50 1j3g n PRO 17 Cb 0.50 -3.24 0.02 0.00 -0.04 0.00 0.00 33.50 30.74 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 5.79 2.71 -3.61 0.54 -0.00 -1.26 -5.05 115.22 114.34 1j3g n HIS 18 Ca 0.51 -2.51 -0.24 0.00 0.46 0.00 0.00 57.72 55.94 1j3g n HIS 18 Cb 0.38 -0.25 0.01 0.00 -0.12 0.00 0.00 29.99 30.01 1j3g n HIS 18 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1j3g s TYR 19 N -3.58 1.66 0.21 1.57 2.02 -1.26 -4.55 117.35 113.42 1j3g s TYR 19 Ca 0.46 -0.78 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1j3g s TYR 19 Cb 0.40 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1j3g s TYR 19 CO -0.04 -0.64 0.09 -0.25 -1.57 0.00 0.00 175.55 173.14 1j3g n ASP 20 N -1.88 0.84 -3.71 2.29 8.00 -1.26 -5.05 116.55 115.77 1j3g n ASP 20 Ca 0.04 -2.17 -0.11 0.00 0.71 0.00 0.00 54.79 53.25 1j3g n ASP 20 Cb 0.63 0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 42.23 1j3g n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j3g s ARG 22 N 1.31 1.88 -1.29 0.00 3.00 -1.26 -5.05 118.95 117.53 1j3g s ARG 22 Ca -0.09 -2.08 -0.18 0.00 0.00 0.00 0.00 55.73 53.38 1j3g s ARG 22 Cb -0.09 -1.31 0.03 0.00 0.00 0.00 0.00 34.95 33.57 1j3g s ARG 22 CO -0.10 -0.15 1.91 -0.35 0.00 0.00 0.00 175.30 176.60 1j3g n PRO 23 N -0.90 2.79 -3.75 3.54 -0.04 -1.26 -4.82 135.00 130.56 1j3g n PRO 23 Ca -0.06 -2.90 -0.13 0.00 -0.04 0.00 0.00 63.50 60.37 1j3g n PRO 23 Cb 0.67 -3.43 -0.10 0.00 -0.04 0.00 0.00 33.50 30.60 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 4.28 -0.30 -0.25 3.54 1.01 -1.26 -5.11 116.67 118.58 1j3g s ASP 24 Ca 0.54 0.47 -0.03 0.00 0.71 0.00 0.00 52.55 54.24 1j3g s ASP 24 Cb 0.07 0.56 0.11 0.00 1.01 0.00 0.00 42.92 44.66 1j3g s ASP 24 CO 0.04 -0.25 0.21 -1.81 0.21 0.00 0.00 175.17 173.57 1j3g s ASP 25 N -0.42 2.12 0.08 0.27 1.01 -1.26 -5.14 116.67 113.33 1j3g s ASP 25 Ca -0.05 -0.71 0.02 0.00 0.71 0.00 0.00 52.55 52.51 1j3g s ASP 25 Cb -0.04 0.18 -0.04 0.00 1.01 0.00 0.00 42.92 44.03 1j3g s ASP 25 CO 0.02 -0.38 -0.06 -0.70 0.21 0.00 0.00 175.17 174.26 1j3g s GLU 26 N 2.26 0.74 -0.03 8.23 2.56 -1.26 -5.13 118.70 126.07 1j3g s GLU 26 Ca 0.08 -1.18 -0.30 0.00 0.00 0.00 0.00 54.97 53.56 1j3g s GLU 26 Cb -0.15 -0.19 -0.05 0.00 2.00 0.00 0.00 34.13 35.74 1j3g s GLU 26 CO -0.25 -0.01 1.42 1.21 -0.56 0.00 0.00 175.26 177.07 1j3g s ASN 27 N -2.68 6.83 -0.61 -1.70 2.47 -1.26 -4.97 114.94 113.03 1j3g s ASN 27 Ca 0.06 2.07 -0.24 0.00 0.42 0.00 0.00 52.86 55.18 1j3g s ASN 27 Cb 0.02 -2.55 0.05 0.00 -1.45 0.00 0.00 41.25 37.32 1j3g s ASN 27 CO -0.04 -0.76 0.99 -2.16 -3.72 0.00 0.00 177.10 171.41 1j3g s PRO 28 N 2.83 3.24 -0.32 0.43 0.04 -1.26 -4.80 135.00 135.16 1j3g s PRO 28 Ca 0.64 -0.46 -0.10 0.00 0.04 0.00 0.00 61.00 61.12 1j3g s PRO 28 Cb -0.30 -4.13 0.20 0.00 0.04 0.00 0.00 34.50 30.31 1j3g s PRO 28 CO 0.25 -1.67 1.12 0.45 0.04 0.00 0.00 177.00 177.19 1j3g s SER 29 N 3.23 -0.16 -0.21 6.66 0.15 -1.26 -4.29 113.70 117.82 1j3g s SER 29 Ca 0.28 -0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.62 1j3g s SER 29 Cb -0.14 0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.44 1j3g s SER 29 CO 0.16 -0.01 0.55 -0.22 1.20 0.00 0.00 173.24 174.92 1j3g s LEU 30 N 1.48 -0.23 -0.23 3.45 0.20 -1.26 -4.22 118.68 117.86 1j3g s LEU 30 Ca 0.19 1.14 -0.11 0.00 0.69 0.00 0.00 54.13 56.04 1j3g s LEU 30 Cb 0.09 1.89 -0.05 0.00 -0.43 0.00 0.00 46.19 47.70 1j3g s LEU 30 CO -0.14 -0.20 0.19 -0.22 -0.29 0.00 0.00 176.35 175.70 1j3g s LEU 31 N 0.62 4.13 -0.32 -0.68 2.96 -0.91 -3.47 118.68 121.01 1j3g s LEU 31 Ca -0.03 0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1j3g s LEU 31 Cb -0.05 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.49 1j3g s LEU 31 CO -0.04 0.05 0.13 -0.69 -1.32 0.00 0.00 176.35 174.48 1j3g s VAL 32 N 1.04 4.26 -0.24 1.68 1.01 -1.21 -2.23 120.40 124.71 1j3g s VAL 32 Ca 0.09 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1j3g s VAL 32 Cb -0.13 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1j3g s VAL 32 CO 0.04 -0.01 0.05 -0.69 0.00 0.00 0.00 175.10 174.50 1j3g s VAL 33 N 1.54 4.16 -0.29 2.92 1.01 0.61 -3.63 120.40 126.71 1j3g s VAL 33 Ca 0.03 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 1j3g s VAL 33 Cb -0.18 -2.93 0.14 0.00 0.00 0.00 0.00 36.38 33.42 1j3g s VAL 33 CO 0.04 0.37 1.04 -1.38 0.00 0.00 0.00 175.10 175.17 1j3g s HIS 34 N 1.48 -0.48 -0.40 5.22 -3.43 -1.26 -3.78 115.29 112.63 1j3g s HIS 34 Ca 0.06 1.04 -0.21 0.00 -0.80 0.00 0.00 55.06 55.15 1j3g s HIS 34 Cb -0.15 0.35 0.01 0.00 -1.43 0.00 0.00 32.58 31.37 1j3g s HIS 34 CO 0.02 -0.24 0.68 1.21 -2.00 0.00 0.00 174.74 174.41 1j3g s ASN 35 N 0.85 6.40 0.42 7.38 2.47 -1.26 -2.94 114.94 128.25 1j3g s ASN 35 Ca -0.04 -0.05 0.03 0.00 0.42 0.00 0.00 52.86 53.23 1j3g s ASN 35 Cb -0.04 -2.34 -0.03 0.00 -1.45 0.00 0.00 41.25 37.39 1j3g s ASN 35 CO -0.12 -0.73 0.09 -0.63 -3.72 0.00 0.00 177.10 172.00 1j3g s ILE 36 N 2.88 0.84 -0.04 -5.21 -1.09 -1.22 -4.88 121.20 112.49 1j3g s ILE 36 Ca 0.25 -2.00 -0.02 0.00 -2.23 0.00 0.00 60.65 56.65 1j3g s ILE 36 Cb -0.14 -2.40 0.03 0.00 -1.58 0.00 0.00 42.46 38.38 1j3g s ILE 36 CO 0.18 0.00 0.08 -0.55 -1.23 0.00 0.00 174.94 173.41 1j3g s SER 37 N -3.65 0.77 0.18 3.58 0.15 -1.26 -1.54 113.70 111.94 1j3g s SER 37 Ca 0.22 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1j3g s SER 37 Cb 0.03 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1j3g s SER 37 CO 0.12 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.24 1j3g n LEU 38 N 5.00 -0.33 -4.84 3.45 -0.00 -1.26 -5.08 117.00 113.95 1j3g n LEU 38 Ca -0.10 0.31 -0.31 0.00 -0.00 0.00 0.00 56.01 55.91 1j3g n LEU 38 Cb 0.50 0.45 0.03 0.00 -0.00 0.00 0.00 43.42 44.41 1j3g n LEU 38 CO 0.10 -0.61 0.71 -2.16 -0.00 0.00 0.00 177.39 175.43 1j3g s PRO 39 N -1.57 3.21 0.00 1.96 0.04 -1.26 -4.81 135.00 132.58 1j3g s PRO 39 Ca 0.00 0.88 0.29 0.00 0.04 0.00 0.00 61.00 62.21 1j3g s PRO 39 Cb 0.00 -2.03 1.61 0.00 0.04 0.00 0.00 34.50 34.12 1j3g s PRO 39 CO 0.00 -0.88 2.05 -0.35 0.04 0.00 0.00 177.00 177.86 1j3g n PRO 40 N -2.95 1.14 0.00 0.56 -0.04 -1.26 -4.58 135.00 127.87 1j3g n PRO 40 Ca 0.07 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1j3g n PRO 40 Cb 0.54 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 1.00 0.00 3.30 0.55 0.00 -1.26 -4.27 105.19 104.52 1j3g n GLY 41 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.67 0.37 -0.13 1.61 2.02 -1.26 -5.16 118.70 112.48 1j3g s GLU 42 Ca 0.00 0.99 -0.34 0.00 0.02 0.00 0.00 54.97 55.64 1j3g s GLU 42 Cb 0.00 0.23 0.14 0.00 0.10 0.00 0.00 34.13 34.60 1j3g s GLU 42 CO 0.00 -0.21 1.29 -0.06 0.02 0.00 0.00 175.26 176.30 1j3g s PHE 43 N 2.19 -0.06 -0.20 1.61 0.08 -1.26 -5.05 117.98 115.28 1j3g s PHE 43 Ca -0.05 0.01 0.16 0.00 0.12 0.00 0.00 56.93 57.17 1j3g s PHE 43 Cb -0.10 0.52 0.39 0.00 -0.57 0.00 0.00 43.02 43.26 1j3g s PHE 43 CO -0.13 -0.18 1.28 0.41 -0.10 0.00 0.00 175.22 176.50 1j3g n GLY 44 N -0.27 4.22 3.53 4.36 0.00 -1.26 -4.96 105.19 110.81 1j3g n GLY 44 Ca -0.03 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -2.18 1.90 0.50 -0.02 0.00 -1.26 -5.01 107.32 101.24 1j3g s GLY 45 Ca 0.35 -1.20 0.31 0.00 0.00 0.00 0.00 44.72 44.18 1j3g s GLY 45 CO 0.07 0.66 1.89 -0.56 0.00 0.00 0.00 173.10 175.15 1j3g h PRO 46 N 8.37 0.00 -0.63 2.90 0.13 -2.02 -3.19 132.00 137.55 1j3g h PRO 46 Ca -0.35 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.87 1j3g h PRO 46 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1j3g h PRO 46 CO 0.58 0.00 0.42 2.35 -0.23 0.00 0.00 178.00 181.12 1j3g h TRP 47 N 0.00 0.55 0.28 1.56 2.91 -1.98 -0.48 115.95 118.79 1j3g h TRP 47 Ca 0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 1j3g h TRP 47 Cb 0.59 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1j3g h TRP 47 CO 0.00 0.28 -0.14 0.82 -1.03 0.00 0.00 178.44 178.37 1j3g h ILE 48 N 0.54 0.75 -0.20 2.65 1.08 -1.88 -3.11 117.51 117.34 1j3g h ILE 48 Ca 0.28 -0.55 -0.08 0.00 -0.39 0.00 0.00 64.86 64.13 1j3g h ILE 48 Cb 0.41 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1j3g h ILE 48 CO -0.09 0.11 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.49 1j3g h ASP 49 N -0.68 0.34 -1.17 1.72 3.58 -1.69 -2.89 116.42 115.63 1j3g h ASP 49 Ca -0.04 -0.10 0.33 0.00 0.42 0.00 0.00 57.03 57.64 1j3g h ASP 49 Cb 0.47 -0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.35 1j3g h ASP 49 CO 0.06 0.57 0.79 0.00 -2.88 0.00 0.00 179.24 177.79 1j3g h ALA 50 N 1.46 2.68 0.10 -0.78 0.00 -1.02 0.15 119.26 121.85 1j3g h ALA 50 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1j3g h ALA 50 Cb 0.56 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1j3g h ALA 50 CO 0.04 -1.11 -0.05 1.25 0.00 0.00 0.00 179.25 179.38 1j3g h LEU 51 N 0.19 -0.12 -0.34 0.00 5.85 -1.50 0.16 115.31 119.55 1j3g h LEU 51 Ca 0.64 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 59.00 1j3g h LEU 51 Cb 2.03 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 43.09 1j3g h LEU 51 CO -0.21 0.11 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.22 1j3g h PHE 52 N -0.34 1.06 -0.58 1.25 -1.00 -0.93 -3.04 116.94 113.34 1j3g h PHE 52 Ca -0.01 -0.37 -0.10 0.00 2.81 0.00 0.00 57.97 60.30 1j3g h PHE 52 Cb 0.28 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1j3g h PHE 52 CO -0.01 1.19 -0.02 0.00 -1.61 0.00 0.00 178.31 177.86 1j3g h THR 53 N 0.66 1.27 0.00 -1.55 1.03 -1.09 -3.48 112.91 109.75 1j3g h THR 53 Ca 0.02 -1.16 0.00 0.00 -0.01 0.00 0.00 66.41 65.26 1j3g h THR 53 Cb 1.12 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.05 1j3g h THR 53 CO 0.12 0.42 0.00 0.61 -0.01 0.00 0.00 175.52 176.65 1j3g n GLY 54 N -0.39 1.67 0.87 2.99 0.00 -0.58 -5.05 105.19 104.70 1j3g n GLY 54 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.40 2.09 -1.72 2.61 -2.24 0.46 -4.99 114.28 110.09 1j3g n THR 55 Ca 0.00 -1.73 -0.43 0.00 -2.27 0.00 0.00 64.05 59.62 1j3g n THR 55 Cb 0.00 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.33 0.43 -3.76 2.28 3.06 -1.02 -4.92 119.36 115.11 1j3g n ILE 56 Ca 0.20 -0.11 -0.37 0.00 -2.50 0.00 0.00 62.75 59.97 1j3g n ILE 56 Cb 0.82 -1.87 -0.07 0.00 0.54 0.00 0.00 39.64 39.07 1j3g n ILE 56 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1j3g s ASP 57 N 0.83 6.41 -0.76 9.51 2.15 -1.26 -5.01 116.67 128.53 1j3g s ASP 57 Ca 0.71 0.49 -0.10 0.00 0.43 0.00 0.00 52.55 54.09 1j3g s ASP 57 Cb -0.54 -2.11 -0.08 0.00 -0.30 0.00 0.00 42.92 39.89 1j3g s ASP 57 CO 0.40 0.32 1.94 -0.81 -0.17 0.00 0.00 175.17 176.84 1j3g n PRO 58 N 2.46 1.68 -0.11 4.34 -0.04 -1.26 -4.47 135.00 137.59 1j3g n PRO 58 Ca -0.17 -1.44 -0.24 0.00 -0.04 0.00 0.00 63.50 61.60 1j3g n PRO 58 Cb 0.54 -2.52 -0.08 0.00 -0.04 0.00 0.00 33.50 31.40 1j3g n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1j3g n ASN 59 N 5.19 1.62 0.09 3.54 2.85 -1.26 -4.74 115.26 122.55 1j3g n ASN 59 Ca 0.41 0.28 -0.11 0.00 -0.11 0.00 0.00 54.58 55.05 1j3g n ASN 59 Cb 0.19 -0.68 -0.07 0.00 1.24 0.00 0.00 39.78 40.47 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3g h ALA 60 N -0.82 -0.88 -2.35 5.20 0.00 -2.02 -3.48 119.26 114.92 1j3g h ALA 60 Ca -0.58 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 54.47 1j3g h ALA 60 Cb 1.50 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 19.98 1j3g h ALA 60 CO -0.35 -0.96 0.68 -3.38 0.00 0.00 0.00 179.25 175.24 1j3g s HIS 61 N -4.87 0.04 0.15 0.00 -3.43 -1.26 -5.07 115.29 100.86 1j3g s HIS 61 Ca -0.11 -0.34 -0.14 0.00 -0.80 0.00 0.00 55.06 53.66 1j3g s HIS 61 Cb 0.04 0.65 0.03 0.00 -1.43 0.00 0.00 32.58 31.87 1j3g s HIS 61 CO 0.41 -0.71 1.72 -1.00 -2.00 0.00 0.00 174.74 173.16 1j3g h PRO 62 N 2.00 0.71 0.07 -0.38 0.13 -1.92 -3.12 132.00 129.49 1j3g h PRO 62 Ca -0.26 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1j3g h PRO 62 Cb 1.21 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1j3g h PRO 62 CO 0.34 0.61 -0.48 -0.92 -0.23 0.00 0.00 178.00 177.32 1j3g h TYR 63 N 0.64 -1.37 -0.52 1.56 5.03 -1.98 0.16 116.97 120.49 1j3g h TYR 63 Ca 0.17 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 1j3g h TYR 63 Cb 0.14 0.59 -0.02 0.00 1.55 0.00 0.00 36.73 38.99 1j3g h TYR 63 CO -0.00 -0.55 0.23 0.35 -1.32 0.00 0.00 178.16 176.86 1j3g h PHE 64 N -0.68 0.77 -0.59 -3.82 3.04 -1.99 -0.77 116.94 112.91 1j3g h PHE 64 Ca 0.02 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1j3g h PHE 64 Cb 0.71 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 1j3g h PHE 64 CO -0.44 0.62 0.35 0.00 -2.02 0.00 0.00 178.31 176.82 1j3g h ALA 65 N 1.07 0.75 0.46 2.41 0.00 -1.45 -2.95 119.26 119.55 1j3g h ALA 65 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1j3g h ALA 65 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j3g h ALA 65 CO -0.02 0.24 -0.35 0.78 0.00 0.00 0.00 179.25 179.89 1j3g h GLY 66 N 0.79 -1.07 1.19 0.00 0.00 -0.24 -3.28 103.07 100.46 1j3g h GLY 66 Ca 0.21 0.47 0.07 0.00 0.00 0.00 0.00 47.33 48.07 1j3g h GLY 66 CO -0.04 -0.35 0.38 0.16 0.00 0.00 0.00 176.54 176.69 1j3g h ILE 67 N -0.79 0.98 -0.98 2.60 3.07 -1.19 -3.28 117.51 117.92 1j3g h ILE 67 Ca -0.06 -0.18 0.33 0.00 1.55 0.00 0.00 64.86 66.50 1j3g h ILE 67 Cb 0.65 0.42 -0.18 0.00 -0.27 0.00 0.00 36.82 37.44 1j3g h ILE 67 CO 0.02 0.09 0.23 0.00 -1.05 0.00 0.00 178.15 177.44 1j3g n ALA 68 N -2.49 0.71 0.04 0.16 0.00 -1.12 -0.50 120.51 117.32 1j3g n ALA 68 Ca 0.08 1.02 0.00 0.00 0.00 0.00 0.00 53.44 54.55 1j3g n ALA 68 Cb 0.26 -0.86 0.31 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 0.44 -3.29 0.00 3.86 -1.79 -3.39 115.15 110.97 1j3g h HIS 69 Ca 0.69 -0.06 -0.59 0.00 -1.16 0.00 0.00 60.37 59.25 1j3g h HIS 69 Cb 1.63 -0.12 -0.09 0.00 1.06 0.00 0.00 27.41 29.89 1j3g h HIS 69 CO -0.29 0.51 0.49 -0.51 0.86 0.00 0.00 177.93 178.99 1j3g s LEU 70 N -8.86 4.08 0.21 2.43 1.02 0.35 -5.02 118.68 112.89 1j3g s LEU 70 Ca -0.07 1.01 -0.31 0.00 0.02 0.00 0.00 54.13 54.78 1j3g s LEU 70 Cb 0.15 -3.20 -0.10 0.00 0.02 0.00 0.00 46.19 43.06 1j3g s LEU 70 CO 0.76 -0.54 1.52 0.00 0.02 0.00 0.00 176.35 178.10 1j3g s ARG 71 N 2.89 4.23 0.60 1.70 1.70 -1.26 -4.95 118.95 123.85 1j3g s ARG 71 Ca 0.35 2.36 -0.08 0.00 -0.47 0.00 0.00 55.73 57.89 1j3g s ARG 71 Cb -0.15 -3.12 -0.01 0.00 -0.57 0.00 0.00 34.95 31.10 1j3g s ARG 71 CO 0.08 -0.53 0.95 0.14 -1.08 0.00 0.00 175.30 174.86 1j3g s VAL 72 N 0.54 4.08 -0.30 4.99 -7.23 -1.26 -4.78 120.40 116.44 1j3g s VAL 72 Ca 0.65 0.34 -0.07 0.00 -1.81 0.00 0.00 61.98 61.08 1j3g s VAL 72 Cb -0.43 -3.63 0.16 0.00 0.56 0.00 0.00 36.38 33.04 1j3g s VAL 72 CO 0.38 -0.72 0.69 -0.44 -0.31 0.00 0.00 175.10 174.70 1j3g s SER 73 N -4.25 -1.14 0.00 4.85 0.01 -0.96 -4.74 113.70 107.46 1j3g s SER 73 Ca 0.54 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.98 1j3g s SER 73 Cb -0.11 2.15 0.00 0.00 0.21 0.00 0.00 66.02 68.27 1j3g s SER 73 CO 0.48 -0.22 0.00 0.00 0.41 0.00 0.00 173.24 173.92 1j3g n ALA 74 N 5.40 0.00 -0.60 1.44 0.00 -1.26 -1.06 120.51 124.43 1j3g n ALA 74 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1j3g n ALA 74 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 -4.02 0.00 8.25 -1.20 -4.47 115.22 113.78 1j3g n HIS 75 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1j3g n HIS 75 Cb 0.00 0.15 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 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 1.44 4.46 -0.25 0.00 2.96 0.13 -0.51 118.68 126.91 1j3g s LEU 77 Ca 0.03 -0.67 -0.15 0.00 -0.22 0.00 0.00 54.13 53.13 1j3g s LEU 77 Cb -0.14 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1j3g s LEU 77 CO -0.10 -0.28 0.36 -0.63 -1.32 0.00 0.00 176.35 174.38 1j3g s ILE 78 N 1.63 5.20 0.47 6.68 1.01 -0.59 -0.57 121.20 135.01 1j3g s ILE 78 Ca 0.04 0.58 -0.20 0.00 0.00 0.00 0.00 60.65 61.07 1j3g s ILE 78 Cb -0.18 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 1j3g s ILE 78 CO 0.08 0.20 1.00 -0.60 0.00 0.00 0.00 174.94 175.62 1j3g s ARG 79 N 1.76 3.97 0.32 2.79 3.52 0.32 -1.21 118.95 130.41 1j3g s ARG 79 Ca 0.16 1.26 0.18 0.00 -0.13 0.00 0.00 55.73 57.20 1j3g s ARG 79 Cb -0.15 -2.13 1.00 0.00 -1.56 0.00 0.00 34.95 32.11 1j3g s ARG 79 CO 0.09 -0.28 1.52 2.89 -0.81 0.00 0.00 175.30 178.72 1j3g n ARG 80 N -0.86 0.12 -0.50 5.12 -4.01 -1.13 -1.05 116.66 114.35 1j3g n ARG 80 Ca 0.08 0.61 0.04 0.00 -1.04 0.00 0.00 57.85 57.55 1j3g n ARG 80 Cb 0.53 -2.00 0.23 0.00 -3.04 0.00 0.00 32.46 28.18 1j3g n ARG 80 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1j3g n ASP 81 N -2.17 3.62 -3.19 2.89 2.03 -1.26 -3.60 116.55 114.86 1j3g n ASP 81 Ca -0.01 -2.50 -0.15 0.00 0.52 0.00 0.00 54.79 52.65 1j3g n ASP 81 Cb 0.13 -0.59 0.08 0.00 -0.72 0.00 0.00 41.12 40.03 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 0.41 -0.42 3.05 0.27 0.00 -0.21 -4.94 105.19 103.34 1j3g n GLY 82 Ca 0.16 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 1j3g n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 83 N -5.06 2.17 -0.22 1.61 2.02 -1.19 -4.82 118.70 113.21 1j3g s GLU 83 Ca 0.08 -1.22 -0.29 0.00 0.02 0.00 0.00 54.97 53.56 1j3g s GLU 83 Cb -0.01 -2.78 0.01 0.00 0.10 0.00 0.00 34.13 31.44 1j3g s GLU 83 CO 0.67 -0.54 1.05 0.42 0.02 0.00 0.00 175.26 176.88 1j3g s ILE 84 N 1.18 4.66 -0.04 -1.63 1.01 -1.26 -0.52 121.20 124.60 1j3g s ILE 84 Ca -0.07 2.00 0.02 0.00 0.00 0.00 0.00 60.65 62.60 1j3g s ILE 84 Cb -0.19 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 1j3g s ILE 84 CO -0.06 -0.17 -0.07 -0.69 0.00 0.00 0.00 174.94 173.95 1j3g s VAL 85 N 3.18 3.67 -0.17 2.92 1.01 0.26 -0.65 120.40 130.63 1j3g s VAL 85 Ca 0.45 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1j3g s VAL 85 Cb -0.15 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1j3g s VAL 85 CO 0.07 0.53 -0.10 -1.58 0.00 0.00 0.00 175.10 174.02 1j3g s GLN 86 N -1.01 1.89 -0.10 2.72 -0.44 0.03 -0.70 119.66 122.05 1j3g s GLN 86 Ca 0.14 -0.61 0.03 0.00 -2.50 0.00 0.00 55.36 52.42 1j3g s GLN 86 Cb -0.11 -2.13 -0.01 0.00 -1.64 0.00 0.00 33.01 29.13 1j3g s GLN 86 CO 0.03 -0.36 -0.21 0.71 0.50 0.00 0.00 175.29 175.96 1j3g s TYR 87 N 1.52 2.61 -0.16 1.67 1.51 -0.49 -1.24 117.35 122.78 1j3g s TYR 87 Ca 0.02 -0.88 -0.01 0.00 -1.01 0.00 0.00 57.07 55.19 1j3g s TYR 87 Cb -0.15 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 1j3g s TYR 87 CO -0.09 -0.32 0.02 0.28 -1.11 0.00 0.00 175.55 174.33 1j3g n VAL 88 N 3.41 -7.70 -0.30 0.71 0.31 -1.26 -3.26 118.33 110.24 1j3g n VAL 88 Ca -0.19 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.25 1j3g n VAL 88 Cb 0.53 -5.56 0.00 0.00 -0.91 0.00 0.00 33.84 27.90 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 0.47 -1.24 -0.01 5.55 -0.04 -1.26 -4.70 135.00 133.77 1j3g n PRO 89 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1j3g n PRO 89 Cb 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 1j3g n PRO 89 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j3g n PHE 90 N -2.58 0.00 -3.59 0.54 3.72 -1.26 -4.51 117.46 109.77 1j3g n PHE 90 Ca 0.00 -0.25 -0.17 0.00 -0.05 0.00 0.00 57.45 56.98 1j3g n PHE 90 Cb 0.00 -0.18 -0.14 0.00 -0.94 0.00 0.00 39.48 38.22 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1j3g s ASP 91 N 1.04 1.03 -0.02 4.37 2.15 -1.26 -4.99 116.67 118.99 1j3g s ASP 91 Ca 0.00 0.09 -0.01 0.00 0.43 0.00 0.00 52.55 53.07 1j3g s ASP 91 Cb 0.00 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 1j3g s ASP 91 CO 0.00 -0.28 0.02 1.17 -0.17 0.00 0.00 175.17 175.91 1j3g n LYS 92 N 5.32 -0.11 -0.94 4.34 3.00 -1.26 -4.97 118.16 123.54 1j3g n LYS 92 Ca -0.05 0.58 -0.30 0.00 -0.00 0.00 0.00 58.31 58.53 1j3g n LYS 92 Cb 0.50 -1.57 -0.00 0.00 0.00 0.00 0.00 35.03 33.95 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 -0.38 0.00 -3.00 1.64 0.63 -1.26 -4.89 116.66 109.40 1j3g n ARG 93 Ca 0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 1j3g n ARG 93 Cb 0.02 -0.72 0.04 0.00 0.45 0.00 0.00 32.46 32.25 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 -0.67 0.98 -3.58 5.13 0.00 -1.26 -4.45 120.51 116.66 1j3g n ALA 94 Ca 0.08 -1.88 -0.04 0.00 0.00 0.00 0.00 53.44 51.60 1j3g n ALA 94 Cb 0.28 0.60 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 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 -2.25 -1.09 -0.46 0.00 -0.00 -0.22 -4.46 118.94 110.46 1j3g s TRP 95 Ca 0.46 1.81 0.06 0.00 -0.00 0.00 0.00 56.10 58.42 1j3g s TRP 95 Cb -0.04 0.51 0.30 0.00 -0.00 0.00 0.00 33.47 34.24 1j3g s TRP 95 CO 0.29 -0.61 1.07 -2.39 -0.00 0.00 0.00 176.95 175.31 1j3g n HIS 96 N 5.42 -2.87 0.00 5.86 1.44 -1.24 -2.26 115.22 121.57 1j3g n HIS 96 Ca -0.09 -1.94 0.00 0.00 -2.01 0.00 0.00 57.72 53.68 1j3g n HIS 96 Cb 0.49 1.59 0.00 0.00 0.12 0.00 0.00 29.99 32.20 1j3g n HIS 96 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j3g n ALA 97 N 0.75 0.00 0.00 1.59 0.00 -1.26 -4.93 120.51 116.66 1j3g n ALA 97 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1j3g n ALA 97 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1j3g n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3g n GLY 98 N -1.45 2.21 3.03 0.00 0.00 -1.26 -5.01 105.19 102.70 1j3g n GLY 98 Ca 0.00 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 0.71 0.05 1.61 1.01 -1.26 -4.29 120.40 118.22 1j3g s VAL 99 Ca 0.00 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1j3g s VAL 99 Cb 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 36.38 35.87 1j3g s VAL 99 CO 0.00 0.17 0.88 -0.94 0.00 0.00 0.00 175.10 175.21 1j3g s SER 100 N -0.28 -0.34 -0.18 3.32 1.04 -1.21 -4.76 113.70 111.29 1j3g s SER 100 Ca 0.03 -0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.07 1j3g s SER 100 Cb -0.04 0.43 0.11 0.00 0.10 0.00 0.00 66.02 66.63 1j3g s SER 100 CO -0.00 -0.73 0.92 -0.94 0.98 0.00 0.00 173.24 173.47 1j3g s SER 101 N -2.62 -0.47 -0.09 7.02 1.04 -1.26 -0.86 113.70 116.45 1j3g s SER 101 Ca 0.06 0.66 -0.24 0.00 0.48 0.00 0.00 55.95 56.91 1j3g s SER 101 Cb -0.01 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.74 1j3g s SER 101 CO -0.07 -0.34 0.56 -0.47 0.98 0.00 0.00 173.24 173.91 1j3g s TYR 102 N -0.68 -0.54 -1.27 5.02 5.04 -0.66 -4.34 117.35 119.92 1j3g s TYR 102 Ca -0.02 1.04 -0.22 0.00 -2.44 0.00 0.00 57.07 55.43 1j3g s TYR 102 Cb -0.02 0.28 0.03 0.00 0.35 0.00 0.00 41.96 42.60 1j3g s TYR 102 CO 0.01 -0.47 0.41 1.04 -1.34 0.00 0.00 175.55 175.20 1j3g n GLN 103 N 1.51 -0.49 -2.29 4.97 6.02 -1.26 -1.45 117.38 124.39 1j3g n GLN 103 Ca -0.18 0.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.65 1j3g n GLN 103 Cb 0.56 -2.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.14 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 -2.22 -0.19 2.89 1.08 0.00 -1.26 -4.99 105.19 100.50 1j3g n GLY 104 Ca -0.18 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1j3g n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3g s ARG 105 N -4.85 1.44 0.18 1.61 6.06 -0.53 -5.13 118.95 117.73 1j3g s ARG 105 Ca 0.00 -0.61 -0.13 0.00 -2.50 0.00 0.00 55.73 52.48 1j3g s ARG 105 Cb 0.00 -2.15 -0.07 0.00 0.06 0.00 0.00 34.95 32.79 1j3g s ARG 105 CO 0.00 -0.48 0.57 -2.00 -2.50 0.00 0.00 175.30 170.89 1j3g s GLU 106 N 1.59 3.95 -0.17 5.12 2.56 -1.26 -1.66 118.70 128.83 1j3g s GLU 106 Ca -0.01 0.46 0.01 0.00 0.00 0.00 0.00 54.97 55.43 1j3g s GLU 106 Cb -0.16 -2.83 0.03 0.00 2.00 0.00 0.00 34.13 33.17 1j3g s GLU 106 CO -0.07 0.41 -0.15 1.03 -0.56 0.00 0.00 175.26 175.92 1j3g s ARG 107 N -2.24 2.44 0.30 4.30 0.52 -0.04 -4.96 118.95 119.26 1j3g s ARG 107 Ca 0.41 -0.69 0.16 0.00 -0.52 0.00 0.00 55.73 55.08 1j3g s ARG 107 Cb -0.14 -2.30 0.24 0.00 0.52 0.00 0.00 34.95 33.27 1j3g s ARG 107 CO 0.20 -0.27 1.52 0.00 0.02 0.00 0.00 175.30 176.77 1j3g s ASN 109 N -6.47 0.10 -1.26 0.00 0.02 -1.26 -4.71 114.94 101.36 1j3g s ASN 109 Ca 0.02 -1.20 -0.13 0.00 -1.02 0.00 0.00 52.86 50.54 1j3g s ASN 109 Cb 0.09 0.42 0.15 0.00 0.02 0.00 0.00 41.25 41.94 1j3g s ASN 109 CO 0.73 -0.90 1.67 -0.67 0.02 0.00 0.00 177.10 177.95 1j3g n ASP 110 N -0.27 5.08 -2.11 -1.22 -0.08 -1.26 -4.77 116.55 111.92 1j3g n ASP 110 Ca -0.01 -3.01 -0.24 0.00 -1.51 0.00 0.00 54.79 50.02 1j3g n ASP 110 Cb 0.64 -1.56 0.12 0.00 2.34 0.00 0.00 41.12 42.67 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 5.27 2.67 -4.73 -0.67 1.16 -1.26 -3.93 117.46 115.97 1j3g n PHE 111 Ca 0.40 -2.06 -0.26 0.00 -1.87 0.00 0.00 57.45 53.66 1j3g n PHE 111 Cb 0.40 -1.02 -0.17 0.00 -1.61 0.00 0.00 39.48 37.08 1j3g n PHE 111 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1j3g s SER 112 N -1.07 2.04 -0.97 5.98 0.01 -1.26 -4.30 113.70 114.13 1j3g s SER 112 Ca 0.51 -0.35 -0.08 0.00 1.31 0.00 0.00 55.95 57.34 1j3g s SER 112 Cb 0.42 -0.87 -0.15 0.00 0.21 0.00 0.00 66.02 65.63 1j3g s SER 112 CO 0.05 0.08 3.10 0.00 0.41 0.00 0.00 173.24 176.88 1j3g n ILE 113 N 3.64 3.64 0.00 1.44 0.00 -1.26 -4.81 119.36 122.01 1j3g n ILE 113 Ca -0.21 -2.07 0.00 0.00 0.00 0.00 0.00 62.75 60.47 1j3g n ILE 113 Cb 0.52 -2.34 0.00 0.00 0.00 0.00 0.00 39.64 37.82 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 3.20 0.91 3.22 4.50 0.00 -1.23 -4.82 105.19 110.98 1j3g n GLY 114 Ca 0.62 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 1.39 0.39 -0.07 -0.61 -1.09 -1.26 -4.24 121.20 115.70 1j3g s ILE 115 Ca 0.00 -1.96 -0.05 0.00 -2.23 0.00 0.00 60.65 56.41 1j3g s ILE 115 Cb 0.00 -2.23 0.03 0.00 -1.58 0.00 0.00 42.46 38.67 1j3g s ILE 115 CO 0.00 -0.33 0.18 -0.70 -1.23 0.00 0.00 174.94 172.86 1j3g s GLU 116 N -4.01 0.18 0.34 2.79 2.12 0.33 -3.33 118.70 117.12 1j3g s GLU 116 Ca 0.28 0.33 0.07 0.00 0.36 0.00 0.00 54.97 56.02 1j3g s GLU 116 Cb 0.07 -0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.43 1j3g s GLU 116 CO 0.06 -0.09 0.44 -0.51 -0.54 0.00 0.00 175.26 174.62 1j3g s LEU 117 N 0.61 3.87 0.04 2.70 1.02 -1.15 -1.54 118.68 124.23 1j3g s LEU 117 Ca -0.04 -0.27 0.02 0.00 0.02 0.00 0.00 54.13 53.85 1j3g s LEU 117 Cb -0.06 -2.63 -0.02 0.00 0.02 0.00 0.00 46.19 43.50 1j3g s LEU 117 CO -0.03 -0.45 -0.08 -0.70 0.02 0.00 0.00 176.35 175.11 1j3g s GLU 118 N -4.15 0.53 0.05 1.70 -6.30 -0.35 -3.40 118.70 106.79 1j3g s GLU 118 Ca 0.45 -0.77 -0.27 0.00 -2.50 0.00 0.00 54.97 51.88 1j3g s GLU 118 Cb -0.09 -0.27 0.09 0.00 0.00 0.00 0.00 34.13 33.86 1j3g s GLU 118 CO 0.30 0.04 1.19 0.20 0.02 0.00 0.00 175.26 177.01 1j3g s GLY 119 N -1.63 -0.16 -0.18 -1.50 0.00 -0.59 -2.84 107.32 100.43 1j3g s GLY 119 Ca -0.09 0.14 -0.05 0.00 0.00 0.00 0.00 44.72 44.72 1j3g s GLY 119 CO 0.00 2.60 0.12 -0.51 0.00 0.00 0.00 173.10 175.31 1j3g s THR 120 N -2.31 -0.15 -1.49 0.90 -4.23 -1.26 -4.34 115.64 102.77 1j3g s THR 120 Ca 0.21 -0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.55 1j3g s THR 120 Cb 0.00 -0.59 0.02 0.00 1.34 0.00 0.00 72.50 73.27 1j3g s THR 120 CO 0.00 -0.26 0.34 -0.67 -0.54 0.00 0.00 174.62 173.50 1j3g n ASP 121 N 5.29 -0.30 -3.74 3.99 2.03 -1.26 -1.35 116.55 121.22 1j3g n ASP 121 Ca -0.07 -1.09 -0.29 0.00 0.52 0.00 0.00 54.79 53.87 1j3g n ASP 121 Cb 0.49 -2.59 0.00 0.00 -0.72 0.00 0.00 41.12 38.30 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 -4.44 -1.40 -1.82 5.18 -2.24 -1.26 -4.98 114.28 103.32 1j3g n THR 122 Ca -0.27 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.13 1j3g n THR 122 Cb 0.66 -2.22 0.03 0.00 -2.10 0.00 0.00 70.33 66.70 1j3g n THR 122 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1j3g s LEU 123 N -6.96 3.90 -0.11 3.22 2.96 -0.46 -4.81 118.68 116.43 1j3g s LEU 123 Ca 0.57 2.75 -0.10 0.00 -0.22 0.00 0.00 54.13 57.13 1j3g s LEU 123 Cb -0.30 -4.23 -0.04 0.00 0.50 0.00 0.00 46.19 42.12 1j3g s LEU 123 CO 0.70 -1.47 0.41 0.00 -1.32 0.00 0.00 176.35 174.67 1j3g n ALA 124 N -0.88 -0.11 1.15 5.97 0.00 -1.26 -4.84 120.51 120.54 1j3g n ALA 124 Ca 0.09 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.74 1j3g n ALA 124 Cb 0.45 -0.44 0.52 0.00 0.00 0.00 0.00 19.45 19.98 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 1.27 0.00 -2.55 0.00 4.02 -1.26 -4.62 117.16 114.02 1j3g n TYR 125 Ca 0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1j3g n TYR 125 Cb -0.01 -0.31 0.01 0.00 -0.02 0.00 0.00 39.34 39.00 1j3g n TYR 125 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1j3g n THR 126 N -1.30 -8.70 -0.09 -0.72 -2.24 -1.24 -4.45 114.28 95.54 1j3g n THR 126 Ca 0.09 0.50 0.07 0.00 -2.27 0.00 0.00 64.05 62.45 1j3g n THR 126 Cb 0.31 -6.42 0.12 0.00 -2.10 0.00 0.00 70.33 62.24 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 -0.31 3.42 9.92 -1.26 -0.29 116.55 127.45 1j3g n ASP 127 Ca 0.07 0.20 0.15 0.00 -0.53 0.00 0.00 54.79 54.69 1j3g n ASP 127 Cb 0.38 -0.10 0.33 0.00 -0.64 0.00 0.00 41.12 41.09 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 1.46 -0.45 2.24 0.00 -1.96 -0.09 119.26 120.67 1j3g h ALA 128 Ca 0.15 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.35 1j3g h ALA 128 Cb 0.52 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1j3g h ALA 128 CO -0.05 -0.46 -0.15 1.96 0.00 0.00 0.00 179.25 180.55 1j3g h GLN 129 N 0.28 -0.05 -0.62 0.00 4.20 -0.87 -1.43 115.11 116.63 1j3g h GLN 129 Ca 0.59 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.30 1j3g h GLN 129 Cb 1.22 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 1j3g h GLN 129 CO -0.62 -0.03 0.38 1.88 -0.67 0.00 0.00 178.83 179.77 1j3g h TYR 130 N -0.05 0.80 0.75 2.96 -1.99 -1.20 0.30 116.97 118.54 1j3g h TYR 130 Ca 0.22 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.92 1j3g h TYR 130 Cb 0.39 -0.27 0.01 0.00 2.00 0.00 0.00 36.73 38.86 1j3g h TYR 130 CO -0.43 0.53 -0.36 1.96 -0.00 0.00 0.00 178.16 179.87 1j3g h GLN 131 N 0.85 -0.97 -0.71 4.88 4.20 -1.20 -1.06 115.11 121.11 1j3g h GLN 131 Ca 0.22 0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.97 1j3g h GLN 131 Cb -0.04 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1j3g h GLN 131 CO -0.04 -0.64 0.31 1.96 -0.67 0.00 0.00 178.83 179.75 1j3g h GLN 132 N -1.27 1.04 0.24 1.46 1.08 -1.11 0.50 115.11 117.05 1j3g h GLN 132 Ca -0.10 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1j3g h GLN 132 Cb 0.77 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1j3g h GLN 132 CO 0.17 0.84 -0.16 1.25 -0.95 0.00 0.00 178.83 179.98 1j3g h LEU 133 N 1.00 -0.39 -1.32 1.46 5.85 -0.49 -0.38 115.31 121.04 1j3g h LEU 133 Ca 0.24 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1j3g h LEU 133 Cb 0.16 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1j3g h LEU 133 CO -0.03 -0.25 -0.01 0.00 -0.34 0.00 0.00 178.44 177.81 1j3g h ALA 134 N 0.36 1.45 0.36 1.25 0.00 -0.84 0.99 119.26 122.82 1j3g h ALA 134 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1j3g h ALA 134 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1j3g h ALA 134 CO 0.02 0.39 -0.17 0.00 0.00 0.00 0.00 179.25 179.49 1j3g h ALA 135 N 1.57 -0.48 -0.20 0.00 0.00 -0.54 0.12 119.26 119.73 1j3g h ALA 135 Ca 0.09 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1j3g h ALA 135 Cb 0.30 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1j3g h ALA 135 CO 0.01 -0.74 -0.07 0.28 0.00 0.00 0.00 179.25 178.73 1j3g h VAL 136 N -0.55 0.76 0.60 0.00 2.07 -0.75 -1.87 116.25 116.51 1j3g h VAL 136 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1j3g h VAL 136 Cb 0.41 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1j3g h VAL 136 CO 0.08 0.00 -0.37 0.74 0.02 0.00 0.00 177.57 178.04 1j3g h THR 137 N -0.03 0.24 -0.76 2.57 2.02 -0.63 0.18 112.91 116.51 1j3g h THR 137 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.36 1j3g h THR 137 Cb 0.18 0.24 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 1j3g h THR 137 CO -0.22 0.00 0.42 0.78 0.37 0.00 0.00 175.52 176.87 1j3g h ASN 138 N -0.92 0.61 0.13 4.18 2.35 -0.74 -0.10 115.58 121.09 1j3g h ASN 138 Ca -0.07 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1j3g h ASN 138 Cb 0.75 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1j3g h ASN 138 CO 0.07 0.37 -0.06 0.00 -1.65 0.00 0.00 177.43 176.16 1j3g h ALA 139 N 1.41 -0.17 -0.62 -0.83 0.00 -1.07 -2.66 119.26 115.33 1j3g h ALA 139 Ca 0.35 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1j3g h ALA 139 Cb 0.29 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1j3g h ALA 139 CO -0.22 -0.43 0.41 -0.07 0.00 0.00 0.00 179.25 178.94 1j3g h LEU 140 N -0.50 0.41 -0.82 0.00 -0.00 -0.39 -0.27 115.31 113.75 1j3g h LEU 140 Ca -0.02 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 1j3g h LEU 140 Cb 0.40 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.95 1j3g h LEU 140 CO 0.03 0.25 0.26 0.40 -0.00 0.00 0.00 178.44 179.38 1j3g h ILE 141 N 0.46 1.26 0.00 1.22 2.04 -0.90 0.05 117.51 121.64 1j3g h ILE 141 Ca 0.28 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1j3g h ILE 141 Cb 0.50 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1j3g h ILE 141 CO -0.08 0.34 0.00 0.41 0.00 0.00 0.00 178.15 178.82 1j3g n THR 142 N -4.26 1.00 -0.04 -0.27 -1.04 -0.15 -2.97 114.28 106.55 1j3g n THR 142 Ca 0.06 0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 62.55 1j3g n THR 142 Cb 0.21 -1.46 -0.01 0.00 -1.82 0.00 0.00 70.33 67.25 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 -2.19 0.23 -3.95 -2.82 5.12 -0.20 -4.93 116.66 107.92 1j3g n ARG 143 Ca 0.00 0.39 -0.30 0.00 -1.93 0.00 0.00 57.85 56.01 1j3g n ARG 143 Cb 0.12 -1.23 -0.16 0.00 -1.16 0.00 0.00 32.46 30.03 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 -1.63 2.25 -0.51 -1.55 2.02 -0.17 -5.10 117.35 112.67 1j3g s TYR 144 Ca -0.08 -1.54 -0.23 0.00 -0.37 0.00 0.00 57.07 54.85 1j3g s TYR 144 Cb 0.01 -1.55 0.04 0.00 -0.40 0.00 0.00 41.96 40.06 1j3g s TYR 144 CO 0.11 -0.73 0.82 -1.25 -1.57 0.00 0.00 175.55 172.94 1j3g s PRO 145 N 1.45 3.32 0.08 -1.71 0.04 -1.16 -4.29 135.00 132.73 1j3g s PRO 145 Ca -0.03 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.68 1j3g s PRO 145 Cb -0.17 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1j3g s PRO 145 CO -0.07 -1.30 0.00 0.00 0.04 0.00 0.00 177.00 175.67 1j3g n ALA 146 N 6.94 1.16 -0.38 8.56 0.00 -1.26 -4.96 120.51 130.57 1j3g n ALA 146 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1j3g n ALA 146 Cb 0.47 0.00 0.61 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 0.34 -0.08 0.00 2.04 -1.77 0.18 117.51 118.22 1j3g h ILE 147 Ca 0.00 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1j3g h ILE 147 Cb 0.00 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1j3g h ILE 147 CO 0.00 0.04 0.08 0.00 0.00 0.00 0.00 178.15 178.27 1j3g h ALA 148 N 1.56 1.71 0.00 1.87 0.00 -1.92 -2.52 119.26 119.95 1j3g h ALA 148 Ca 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1j3g h ALA 148 Cb 2.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1j3g h ALA 148 CO -0.29 -0.12 -0.24 0.09 0.00 0.00 0.00 179.25 178.69 1j3g n ASN 149 N -3.93 0.99 -3.34 0.00 4.13 0.52 -4.77 115.26 108.87 1j3g n ASN 149 Ca -0.01 -2.30 -0.24 0.00 1.68 0.00 0.00 54.58 53.72 1j3g n ASN 149 Cb 0.18 -0.25 -0.09 0.00 -1.54 0.00 0.00 39.78 38.08 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 -1.58 1.39 -0.15 6.41 -0.87 -0.55 -4.90 114.94 114.70 1j3g s ASN 150 Ca 0.11 -2.55 0.01 0.00 -1.57 0.00 0.00 52.86 48.87 1j3g s ASN 150 Cb 0.10 -0.05 0.02 0.00 -0.02 0.00 0.00 41.25 41.30 1j3g s ASN 150 CO 0.01 -0.20 -0.19 -0.04 -2.57 0.00 0.00 177.10 174.12 1j3g s MET 151 N 0.54 2.75 0.26 -0.60 -1.94 -1.25 -2.14 119.30 116.90 1j3g s MET 151 Ca 0.27 -0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 53.43 1j3g s MET 151 Cb -0.05 -2.34 0.03 0.00 2.01 0.00 0.00 34.83 34.48 1j3g s MET 151 CO -0.12 -0.14 0.49 -2.37 -0.01 0.00 0.00 175.02 172.87 1j3g n THR 152 N 4.45 0.00 0.00 2.05 5.66 -0.95 -5.01 114.28 120.48 1j3g n THR 152 Ca -0.20 -0.71 0.00 0.00 -3.05 0.00 0.00 64.05 60.09 1j3g n THR 152 Cb 0.51 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 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 -0.35 4.86 0.00 1.09 0.00 -1.25 -0.28 105.19 109.26 1j3g n GLY 153 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.13 1.61 -0.00 -0.57 -4.62 115.22 111.77 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 -0.06 -0.13 0.00 -0.00 0.00 0.00 29.99 29.79 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 -2.02 6.66 0.13 0.00 5.15 -0.60 -4.48 115.26 120.09 1j3g n ASN 156 Ca -0.02 -3.26 0.12 0.00 -0.60 0.00 0.00 54.58 50.82 1j3g n ASN 156 Cb 0.44 -1.14 0.48 0.00 -0.53 0.00 0.00 39.78 39.03 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 0.45 0.79 0.09 -1.44 -0.00 -1.26 -3.95 119.36 114.04 1j3g n ILE 157 Ca 0.44 0.15 0.00 0.00 -0.00 0.00 0.00 62.75 63.35 1j3g n ILE 157 Cb 0.55 -1.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.11 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 -1.78 0.95 -2.43 -1.28 0.00 -1.26 -4.26 120.51 110.45 1j3g n ALA 158 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1j3g n ALA 158 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 1j3g n ALA 158 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3g s PRO 159 N -1.40 3.81 0.58 0.00 0.04 -1.26 -4.89 135.00 131.88 1j3g s PRO 159 Ca 0.00 1.09 0.37 0.00 0.04 0.00 0.00 61.00 62.50 1j3g s PRO 159 Cb 0.00 -3.92 2.02 0.00 0.04 0.00 0.00 34.50 32.65 1j3g s PRO 159 CO 0.00 -1.26 2.14 1.49 0.04 0.00 0.00 177.00 179.41 1j3g h GLU 160 N 9.62 0.00 -0.05 4.56 4.22 -1.90 -2.93 114.58 128.09 1j3g h GLU 160 Ca -0.26 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.20 1j3g h GLU 160 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1j3g h GLU 160 CO 1.06 0.00 0.06 -0.09 -2.18 0.00 0.00 179.01 177.85 1j3g h ARG 161 N 0.00 0.00 -3.68 1.92 9.65 -1.94 -3.39 114.38 116.94 1j3g h ARG 161 Ca 0.00 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.61 1j3g h ARG 161 Cb 0.10 0.00 -0.31 0.00 -1.39 0.00 0.00 29.97 28.37 1j3g h ARG 161 CO 0.00 0.00 -0.73 0.15 2.80 0.00 0.00 179.97 182.19 1j3g s LYS 162 N -4.69 0.03 -0.00 0.20 1.02 -1.11 -5.01 119.74 110.19 1j3g s LYS 162 Ca -0.05 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.01 1j3g s LYS 162 Cb 0.15 -0.16 -0.00 0.00 -0.52 0.00 0.00 37.83 37.30 1j3g s LYS 162 CO 0.56 -0.07 0.00 2.41 -0.92 0.00 0.00 175.35 177.33 1j3g n THR 163 N 3.61 0.00 -3.82 2.17 -1.04 -1.26 -1.56 114.28 112.37 1j3g n THR 163 Ca -0.20 -0.18 -0.01 0.00 -2.04 0.00 0.00 64.05 61.63 1j3g n THR 163 Cb 0.55 0.67 0.01 0.00 -1.82 0.00 0.00 70.33 69.74 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 -1.65 -0.04 -1.38 8.00 2.15 -1.26 -1.21 116.67 121.27 1j3g s ASP 164 Ca -0.00 -0.41 -0.15 0.00 0.43 0.00 0.00 52.55 52.42 1j3g s ASP 164 Cb 0.00 0.35 0.01 0.00 -0.30 0.00 0.00 42.92 42.98 1j3g s ASP 164 CO 0.00 -0.68 2.24 -0.81 -0.17 0.00 0.00 175.17 175.74 1j3g n PRO 165 N -0.65 2.73 0.00 4.34 -0.04 -1.26 -3.44 135.00 136.67 1j3g n PRO 165 Ca -0.03 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.96 1j3g n PRO 165 Cb 0.60 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 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 4.12 0.46 0.00 0.55 0.00 -1.26 -5.10 105.19 103.96 1j3g n GLY 166 Ca 0.53 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.23 1.61 -0.04 -1.22 -4.44 135.00 127.68 1j3g n PRO 167 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1j3g n PRO 167 Cb 0.00 -0.11 0.01 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.15 -6.93 -0.12 3.54 2.88 -1.26 -4.67 113.62 106.91 1j3g n SER 168 Ca 0.00 -0.14 0.09 0.00 -1.33 0.00 0.00 58.87 57.49 1j3g n SER 168 Cb 0.00 -4.13 0.13 0.00 -0.75 0.00 0.00 64.21 59.47 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 -1.46 0.06 -3.57 0.66 7.35 -1.26 -5.05 117.46 114.20 1j3g n PHE 169 Ca -0.05 -0.94 -0.27 0.00 -0.76 0.00 0.00 57.45 55.42 1j3g n PHE 169 Cb 0.55 -0.15 0.02 0.00 0.35 0.00 0.00 39.48 40.25 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 -1.28 -5.53 0.10 -2.13 -0.08 -1.26 -4.66 116.55 101.72 1j3g n ASP 170 Ca 0.15 -0.49 0.09 0.00 -1.51 0.00 0.00 54.79 53.03 1j3g n ASP 170 Cb 0.62 -2.18 0.57 0.00 2.34 0.00 0.00 41.12 42.47 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 0.85 0.20 -0.20 -0.67 4.06 -1.99 -1.67 115.95 116.52 1j3g h TRP 171 Ca -0.52 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.41 1j3g h TRP 171 Cb 1.35 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 29.44 1j3g h TRP 171 CO 0.13 0.11 0.03 0.00 -3.56 0.00 0.00 178.44 175.15 1j3g h ALA 172 N 1.85 0.26 0.16 1.49 0.00 -1.98 -0.18 119.26 120.86 1j3g h ALA 172 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1j3g h ALA 172 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1j3g h ALA 172 CO -0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.09 1j3g h ARG 173 N 0.12 -0.21 0.63 0.00 3.08 -1.67 -2.65 114.38 113.68 1j3g h ARG 173 Ca 0.06 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1j3g h ARG 173 Cb 0.32 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1j3g h ARG 173 CO 0.00 -0.11 -0.30 0.35 -1.07 0.00 0.00 179.97 178.84 1j3g h PHE 174 N -0.26 -0.79 0.00 3.04 3.57 -1.32 -2.78 116.94 118.41 1j3g h PHE 174 Ca -0.02 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1j3g h PHE 174 Cb 0.20 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1j3g h PHE 174 CO -0.05 -0.48 -0.12 -0.09 -2.23 0.00 0.00 178.31 175.34 1j3g h ARG 175 N -0.89 0.00 -0.37 1.11 1.12 -1.11 -1.49 114.38 112.75 1j3g h ARG 175 Ca -0.09 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.72 1j3g h ARG 175 Cb 0.67 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 1j3g h ARG 175 CO 0.14 0.12 -0.03 0.00 -3.11 0.00 0.00 179.97 177.10 1j3g h ALA 176 N 1.88 0.50 0.45 2.80 0.00 -1.34 -3.32 119.26 120.22 1j3g h ALA 176 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1j3g h ALA 176 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1j3g h ALA 176 CO 0.02 0.29 -0.21 -0.07 0.00 0.00 0.00 179.25 179.27 1j3g h LEU 177 N 0.47 -0.51-10.28 0.00 3.38 -1.09 -3.44 115.31 103.84 1j3g h LEU 177 Ca 0.10 0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.61 1j3g h LEU 177 Cb 0.51 0.13 0.17 0.00 0.09 0.00 0.00 40.66 41.56 1j3g h LEU 177 CO 0.02 -0.08 0.18 -0.69 0.09 0.00 0.00 178.44 177.96 1j3g s VAL 178 N -3.52 2.35 -0.40 1.22 1.01 -0.63 -4.87 120.40 115.56 1j3g s VAL 178 Ca -0.09 0.11 -0.41 0.00 0.00 0.00 0.00 61.98 61.59 1j3g s VAL 178 Cb 0.01 -2.44 -0.16 0.00 0.00 0.00 0.00 36.38 33.79 1j3g s VAL 178 CO 0.27 -0.15 1.99 0.41 0.00 0.00 0.00 175.10 177.62 1j3g n THR 179 N -4.22 0.13 0.08 3.92 -1.04 -1.26 -4.79 114.28 107.09 1j3g n THR 179 Ca 0.06 -0.09 -0.04 0.00 -2.04 0.00 0.00 64.05 61.95 1j3g n THR 179 Cb 0.55 -1.01 0.02 0.00 -1.82 0.00 0.00 70.33 68.07 1j3g n THR 179 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j3g n PRO 180 N 6.74 1.20 -3.86 -2.82 -0.04 -1.25 -4.73 135.00 130.24 1j3g n PRO 180 Ca 0.41 -0.43 -0.24 0.00 -0.04 0.00 0.00 63.50 63.20 1j3g n PRO 180 Cb 0.08 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1j3g n PRO 180 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 181 N 0.70 -0.74 0.00 3.54 2.88 -1.26 -4.68 113.62 114.06 1j3g n SER 181 Ca 0.08 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.68 1j3g n SER 181 Cb 0.59 -3.41 0.00 0.00 -0.75 0.00 0.00 64.21 60.65 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 -3.00 0.00 -3.12 -3.46 2.88 -1.26 -5.07 113.62 100.59 1j3g n SER 182 Ca -0.30 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.06 1j3g n SER 182 Cb 0.68 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.21 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 -0.91 -2.20 -1.29 0.66 -0.00 -1.26 -5.05 115.22 105.17 1j3g n HIS 183 Ca 0.00 0.84 -0.20 0.00 0.46 0.00 0.00 57.72 58.82 1j3g n HIS 183 Cb 0.00 -4.54 0.15 0.00 -0.12 0.00 0.00 29.99 25.48 1j3g n HIS 183 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1j3g n LYS 184 N -4.05 -1.54 -1.36 1.57 3.00 -1.26 -5.06 118.16 109.46 1j3g n LYS 184 Ca -0.11 -1.28 -0.29 0.00 -0.00 0.00 0.00 58.31 56.63 1j3g n LYS 184 Cb 0.59 -0.99 0.15 0.00 0.00 0.00 0.00 35.03 34.79 1j3g n LYS 184 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1j3g s GLU 185 N -4.81 0.90 0.00 1.64 -1.05 -1.26 -5.01 118.70 109.10 1j3g s GLU 185 Ca 0.49 0.44 0.00 0.00 -0.15 0.00 0.00 54.97 55.75 1j3g s GLU 185 Cb -0.03 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.86 1j3g s GLU 185 CO 0.36 -2.39 0.00 -0.12 0.95 0.00 0.00 175.26 174.05 1j3g n MET 186 N -3.93 0.00 0.00 -4.83 1.56 -1.26 -5.13 117.12 103.53 1j3g n MET 186 Ca 0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1j3g n MET 186 Cb 0.58 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.95 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65