#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3g s LEU 2 N 0.00 4.41 -0.14 -0.89 0.20 -1.26 -5.00 118.68 116.00 1j3g s LEU 2 Ca 0.00 2.74 0.02 0.00 0.69 0.00 0.00 54.13 57.58 1j3g s LEU 2 Cb 0.00 -3.56 0.01 0.00 -0.43 0.00 0.00 46.19 42.22 1j3g s LEU 2 CO 0.00 -1.01 -0.19 -0.76 -0.29 0.00 0.00 176.35 174.10 1j3g s LEU 3 N 3.08 1.95 0.11 -0.68 1.43 -1.26 -3.55 118.68 119.75 1j3g s LEU 3 Ca 0.82 -0.55 0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1j3g s LEU 3 Cb -0.45 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1j3g s LEU 3 CO 0.37 0.03 -0.23 -0.62 0.23 0.00 0.00 176.35 176.13 1j3g s ASP 4 N 1.04 3.53 -1.34 2.29 2.15 -0.21 -4.57 116.67 119.56 1j3g s ASP 4 Ca -0.03 -0.63 -0.04 0.00 0.43 0.00 0.00 52.55 52.27 1j3g s ASP 4 Cb -0.15 -0.38 0.02 0.00 -0.30 0.00 0.00 42.92 42.12 1j3g s ASP 4 CO -0.05 0.20 0.31 -0.62 -0.17 0.00 0.00 175.17 174.84 1j3g n GLU 5 N 1.05 -3.22 -1.69 4.34 1.02 -1.26 -0.58 120.64 120.30 1j3g n GLU 5 Ca -0.17 0.69 -0.21 0.00 -0.02 0.00 0.00 57.16 57.45 1j3g n GLU 5 Cb 0.53 -5.40 -0.08 0.00 -0.02 0.00 0.00 31.44 26.47 1j3g n GLU 5 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3g n GLY 6 N -1.13 1.72 3.46 0.62 0.00 -1.26 -4.97 105.19 103.62 1j3g n GLY 6 Ca -0.11 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.80 1.77 0.01 1.61 0.52 0.25 -5.11 118.94 115.19 1j3g s TRP 7 Ca 0.00 -1.26 -0.30 0.00 0.02 0.00 0.00 56.10 54.56 1j3g s TRP 7 Cb 0.00 -1.10 -0.06 0.00 -1.15 0.00 0.00 33.47 31.16 1j3g s TRP 7 CO 0.00 -0.31 1.47 -1.17 0.02 0.00 0.00 176.95 176.96 1j3g s LEU 8 N -3.53 4.32 0.25 2.99 0.20 -1.26 -1.05 118.68 120.61 1j3g s LEU 8 Ca 0.29 2.19 -0.30 0.00 0.69 0.00 0.00 54.13 57.00 1j3g s LEU 8 Cb 0.04 -3.56 -0.10 0.00 -0.43 0.00 0.00 46.19 42.14 1j3g s LEU 8 CO 0.16 -0.77 1.44 0.00 -0.29 0.00 0.00 176.35 176.88 1j3g s ALA 9 N 2.61 3.62 -1.14 5.97 0.00 -1.23 -3.35 121.76 128.24 1j3g s ALA 9 Ca 0.66 1.33 -0.15 0.00 0.00 0.00 0.00 51.96 53.81 1j3g s ALA 9 Cb -0.33 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 1j3g s ALA 9 CO 0.28 -0.74 0.81 0.39 0.00 0.00 0.00 175.76 176.49 1j3g n GLU 10 N 2.25 -1.89 -3.78 0.00 1.02 -1.26 -4.97 120.64 112.01 1j3g n GLU 10 Ca 0.06 0.57 -0.13 0.00 -0.02 0.00 0.00 57.16 57.65 1j3g n GLU 10 Cb 0.40 -4.66 -0.11 0.00 -0.02 0.00 0.00 31.44 27.06 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 -3.48 -0.68 -0.11 0.62 0.00 -1.21 -4.45 121.76 112.46 1j3g s ALA 11 Ca 0.41 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1j3g s ALA 11 Cb -0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1j3g s ALA 11 CO 0.83 -0.15 1.18 0.50 0.00 0.00 0.00 175.76 178.12 1j3g s ARG 12 N -0.09 4.32 -0.26 0.00 6.06 0.98 -4.89 118.95 125.08 1j3g s ARG 12 Ca -0.02 1.61 -0.22 0.00 -2.50 0.00 0.00 55.73 54.60 1j3g s ARG 12 Cb -0.03 -3.62 -0.01 0.00 0.06 0.00 0.00 34.95 31.35 1j3g s ARG 12 CO 0.01 -0.51 0.70 -0.98 -2.50 0.00 0.00 175.30 172.02 1j3g s ARG 13 N 2.61 4.11 -0.42 5.12 1.70 -1.26 -1.09 118.95 129.71 1j3g s ARG 13 Ca 0.54 0.65 0.06 0.00 -0.47 0.00 0.00 55.73 56.51 1j3g s ARG 13 Cb -0.22 -3.66 0.22 0.00 -0.57 0.00 0.00 34.95 30.72 1j3g s ARG 13 CO 0.18 -0.48 0.51 0.28 -1.08 0.00 0.00 175.30 174.72 1j3g n VAL 14 N 5.25 -0.75 -2.18 4.99 0.31 0.08 -4.95 118.33 121.09 1j3g n VAL 14 Ca 0.02 -3.35 -0.36 0.00 -0.01 0.00 0.00 64.34 60.64 1j3g n VAL 14 Cb 0.48 -1.29 0.01 0.00 -0.91 0.00 0.00 33.84 32.13 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 -0.43 3.26 -0.02 5.55 0.04 -1.25 -4.02 135.00 138.12 1j3g s PRO 15 Ca 0.34 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.09 1j3g s PRO 15 Cb 0.12 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1j3g s PRO 15 CO -0.15 -0.94 -0.02 0.45 0.04 0.00 0.00 177.00 176.38 1j3g s SER 16 N -1.67 0.43 -0.08 6.66 0.15 -1.26 -4.96 113.70 112.97 1j3g s SER 16 Ca 0.74 -0.05 -0.02 0.00 0.70 0.00 0.00 55.95 57.32 1j3g s SER 16 Cb -0.27 -0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 63.84 1j3g s SER 16 CO 0.30 -0.04 2.57 -0.81 1.20 0.00 0.00 173.24 176.46 1j3g n PRO 17 N 3.65 1.53 -2.29 5.44 -0.04 -1.26 -4.36 135.00 137.67 1j3g n PRO 17 Ca -0.21 -0.72 -0.21 0.00 -0.04 0.00 0.00 63.50 62.32 1j3g n PRO 17 Cb 0.54 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 1.60 2.69 -1.39 0.54 -0.00 -1.26 -5.07 115.22 112.33 1j3g n HIS 18 Ca 0.21 -2.52 -0.30 0.00 0.46 0.00 0.00 57.72 55.57 1j3g n HIS 18 Cb 0.64 -0.25 0.23 0.00 -0.12 0.00 0.00 29.99 30.49 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 -3.57 0.73 0.50 1.57 2.02 -1.26 -4.45 117.35 112.88 1j3g s TYR 19 Ca 0.46 0.38 0.01 0.00 -0.37 0.00 0.00 57.07 57.55 1j3g s TYR 19 Cb 0.40 -3.73 -0.01 0.00 -0.40 0.00 0.00 41.96 38.21 1j3g s TYR 19 CO -0.04 -3.53 0.02 -0.51 -1.57 0.00 0.00 175.55 169.92 1j3g s ASP 20 N -4.30 3.99 -0.16 2.29 1.01 -1.19 -4.95 116.67 113.35 1j3g s ASP 20 Ca 0.73 -1.66 -0.05 0.00 0.71 0.00 0.00 52.55 52.28 1j3g s ASP 20 Cb -0.07 0.52 0.08 0.00 1.01 0.00 0.00 42.92 44.46 1j3g s ASP 20 CO 0.55 -0.86 0.31 0.00 0.21 0.00 0.00 175.17 175.38 1j3g s ARG 22 N 2.48 0.13 -1.27 0.00 1.81 -1.26 -5.07 118.95 115.77 1j3g s ARG 22 Ca 0.02 -0.04 -0.18 0.00 -1.72 0.00 0.00 55.73 53.81 1j3g s ARG 22 Cb -0.12 -0.14 0.01 0.00 -0.45 0.00 0.00 34.95 34.24 1j3g s ARG 22 CO -0.11 0.02 1.96 -0.35 -0.68 0.00 0.00 175.30 176.15 1j3g n PRO 23 N 3.13 2.63 -3.68 3.54 -0.04 -1.26 -4.77 135.00 134.55 1j3g n PRO 23 Ca -0.13 -2.74 -0.14 0.00 -0.04 0.00 0.00 63.50 60.44 1j3g n PRO 23 Cb 0.59 -3.38 -0.08 0.00 -0.04 0.00 0.00 33.50 30.59 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 4.29 -0.48 -0.27 3.54 1.01 -1.26 -5.12 116.67 118.38 1j3g s ASP 24 Ca 0.54 0.73 -0.00 0.00 0.71 0.00 0.00 52.55 54.52 1j3g s ASP 24 Cb 0.08 0.75 0.14 0.00 1.01 0.00 0.00 42.92 44.91 1j3g s ASP 24 CO 0.03 -0.34 0.35 -1.81 0.21 0.00 0.00 175.17 173.61 1j3g s ASP 25 N -0.45 0.83 0.17 0.27 1.01 -1.26 -5.10 116.67 112.13 1j3g s ASP 25 Ca -0.06 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 52.88 1j3g s ASP 25 Cb -0.03 0.86 -0.04 0.00 1.01 0.00 0.00 42.92 44.72 1j3g s ASP 25 CO 0.04 -0.35 0.03 -0.70 0.21 0.00 0.00 175.17 174.40 1j3g s GLU 26 N 2.47 1.07 0.05 8.23 2.56 -1.26 -5.13 118.70 126.68 1j3g s GLU 26 Ca 0.10 -1.52 -0.30 0.00 0.00 0.00 0.00 54.97 53.25 1j3g s GLU 26 Cb -0.14 -0.08 -0.08 0.00 2.00 0.00 0.00 34.13 35.83 1j3g s GLU 26 CO -0.26 -0.19 1.69 1.21 -0.56 0.00 0.00 175.26 177.15 1j3g s ASN 27 N -3.14 6.59 -0.59 -1.70 3.84 -1.26 -4.96 114.94 113.72 1j3g s ASN 27 Ca 0.25 2.47 -0.24 0.00 0.21 0.00 0.00 52.86 55.56 1j3g s ASN 27 Cb 0.07 -2.55 0.05 0.00 -0.55 0.00 0.00 41.25 38.26 1j3g s ASN 27 CO 0.04 -0.92 0.96 -2.16 -2.79 0.00 0.00 177.10 172.23 1j3g s PRO 28 N 3.09 3.24 -0.33 0.43 0.04 -1.26 -4.81 135.00 135.41 1j3g s PRO 28 Ca 0.76 -0.47 -0.09 0.00 0.04 0.00 0.00 61.00 61.24 1j3g s PRO 28 Cb -0.39 -4.12 0.20 0.00 0.04 0.00 0.00 34.50 30.23 1j3g s PRO 28 CO 0.33 -1.62 1.09 0.45 0.04 0.00 0.00 177.00 177.29 1j3g s SER 29 N 3.16 -0.26 -0.03 6.66 0.15 -1.26 -4.53 113.70 117.58 1j3g s SER 29 Ca 0.27 -0.22 -0.09 0.00 0.70 0.00 0.00 55.95 56.62 1j3g s SER 29 Cb -0.14 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1j3g s SER 29 CO 0.16 -0.02 0.19 -0.22 1.20 0.00 0.00 173.24 174.55 1j3g s LEU 30 N 1.48 1.30 -0.15 3.45 1.98 -1.26 -4.17 118.68 121.31 1j3g s LEU 30 Ca 0.19 0.09 -0.01 0.00 -2.89 0.00 0.00 54.13 51.51 1j3g s LEU 30 Cb 0.08 0.79 -0.01 0.00 0.66 0.00 0.00 46.19 47.71 1j3g s LEU 30 CO -0.13 -0.27 -0.12 -0.22 -1.89 0.00 0.00 176.35 173.72 1j3g s LEU 31 N -0.80 2.69 -0.12 -0.68 2.96 -1.21 -3.49 118.68 118.03 1j3g s LEU 31 Ca -0.09 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1j3g s LEU 31 Cb -0.05 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1j3g s LEU 31 CO 0.02 0.13 0.02 -0.69 -1.32 0.00 0.00 176.35 174.50 1j3g s VAL 32 N 0.58 4.41 -0.14 1.68 1.01 -1.22 -1.90 120.40 124.83 1j3g s VAL 32 Ca -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1j3g s VAL 32 Cb -0.16 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.36 1j3g s VAL 32 CO 0.03 0.55 0.03 -0.69 0.00 0.00 0.00 175.10 175.02 1j3g s VAL 33 N -0.36 0.39 0.08 2.92 1.01 0.28 -4.30 120.40 120.43 1j3g s VAL 33 Ca 0.07 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 1j3g s VAL 33 Cb -0.12 -0.76 0.08 0.00 0.00 0.00 0.00 36.38 35.59 1j3g s VAL 33 CO 0.02 -0.00 0.80 -1.38 0.00 0.00 0.00 175.10 174.54 1j3g s HIS 34 N 1.94 -0.37 -0.38 5.22 -3.43 -1.26 -4.22 115.29 112.79 1j3g s HIS 34 Ca 0.02 0.17 -0.16 0.00 -0.80 0.00 0.00 55.06 54.29 1j3g s HIS 34 Cb -0.15 0.57 0.01 0.00 -1.43 0.00 0.00 32.58 31.58 1j3g s HIS 34 CO -0.07 -0.71 0.37 1.21 -2.00 0.00 0.00 174.74 173.54 1j3g s ASN 35 N -2.65 6.17 0.41 7.38 3.84 -1.26 -4.01 114.94 124.81 1j3g s ASN 35 Ca 0.05 -0.52 0.03 0.00 0.21 0.00 0.00 52.86 52.63 1j3g s ASN 35 Cb -0.01 -2.20 -0.03 0.00 -0.55 0.00 0.00 41.25 38.46 1j3g s ASN 35 CO -0.08 -0.44 0.10 -0.63 -2.79 0.00 0.00 177.10 173.25 1j3g s ILE 36 N 1.99 0.82 -0.26 -5.21 -1.09 -1.15 -4.90 121.20 111.40 1j3g s ILE 36 Ca 0.10 -2.00 -0.10 0.00 -2.23 0.00 0.00 60.65 56.43 1j3g s ILE 36 Cb -0.17 -2.41 0.11 0.00 -1.58 0.00 0.00 42.46 38.40 1j3g s ILE 36 CO 0.12 0.00 0.57 -0.55 -1.23 0.00 0.00 174.94 173.85 1j3g s SER 37 N -3.63 -0.80 0.13 3.58 0.15 -1.26 -2.39 113.70 109.49 1j3g s SER 37 Ca 0.24 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1j3g s SER 37 Cb 0.04 1.77 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 1j3g s SER 37 CO 0.13 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.24 1j3g n LEU 38 N 5.19 -0.30 -4.78 3.45 -0.00 -1.26 -5.10 117.00 114.20 1j3g n LEU 38 Ca -0.13 0.23 -0.35 0.00 -0.00 0.00 0.00 56.01 55.77 1j3g n LEU 38 Cb 0.51 0.40 0.01 0.00 -0.00 0.00 0.00 43.42 44.34 1j3g n LEU 38 CO -0.02 -0.56 0.77 -2.16 -0.00 0.00 0.00 177.39 175.42 1j3g s PRO 39 N -1.41 3.31 0.00 1.96 0.04 -1.26 -4.86 135.00 132.78 1j3g s PRO 39 Ca 0.00 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1j3g s PRO 39 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1j3g s PRO 39 CO 0.00 -0.87 0.89 -0.35 0.04 0.00 0.00 177.00 176.71 1j3g n PRO 40 N -1.43 0.96 0.00 0.56 -0.04 -1.26 -4.71 135.00 129.08 1j3g n PRO 40 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1j3g n PRO 40 Cb 0.51 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1j3g n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3g n GLY 41 N 0.44 0.00 3.43 0.55 0.00 -1.26 -4.23 105.19 104.13 1j3g n GLY 41 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.43 0.46 -0.03 1.61 2.02 -1.26 -5.13 118.70 113.94 1j3g s GLU 42 Ca 0.00 1.16 -0.30 0.00 0.02 0.00 0.00 54.97 55.85 1j3g s GLU 42 Cb 0.00 0.43 0.11 0.00 0.10 0.00 0.00 34.13 34.77 1j3g s GLU 42 CO 0.00 -0.21 1.31 -0.06 0.02 0.00 0.00 175.26 176.32 1j3g s PHE 43 N 2.40 0.00 0.00 1.61 0.08 -1.26 -5.08 117.98 115.73 1j3g s PHE 43 Ca -0.05 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1j3g s PHE 43 Cb -0.11 0.55 0.00 0.00 -0.57 0.00 0.00 43.02 42.89 1j3g s PHE 43 CO -0.16 -0.23 0.44 0.41 -0.10 0.00 0.00 175.22 175.58 1j3g n GLY 44 N -0.75 -0.48 3.62 4.36 0.00 -1.26 -5.06 105.19 105.63 1j3g n GLY 44 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -0.11 1.75 0.00 -0.02 0.00 -1.26 -4.95 107.32 102.73 1j3g s GLY 45 Ca 0.00 -0.38 0.14 0.00 0.00 0.00 0.00 44.72 44.48 1j3g s GLY 45 CO 0.00 1.66 1.35 -1.55 0.00 0.00 0.00 173.10 174.56 1j3g n PRO 46 N 6.01 0.26 -0.31 2.90 -0.04 -1.26 -2.75 135.00 139.81 1j3g n PRO 46 Ca 0.03 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1j3g n PRO 46 Cb 0.48 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.66 1j3g n PRO 46 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1j3g h TRP 47 N 0.00 1.08 -0.43 0.54 2.91 -1.99 -0.17 115.95 117.89 1j3g h TRP 47 Ca 0.00 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 1j3g h TRP 47 Cb 0.10 -0.36 -0.02 0.00 -0.51 0.00 0.00 29.16 28.37 1j3g h TRP 47 CO 0.00 0.59 0.12 0.82 -1.03 0.00 0.00 178.44 178.94 1j3g h ILE 48 N 1.08 1.23 -0.25 2.65 2.04 -1.85 -2.21 117.51 120.20 1j3g h ILE 48 Ca 0.38 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1j3g h ILE 48 Cb 0.12 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1j3g h ILE 48 CO -0.13 0.27 0.12 -0.78 0.00 0.00 0.00 178.15 177.63 1j3g h ASP 49 N 0.57 0.18 -0.79 1.72 1.82 -1.54 -2.61 116.42 115.76 1j3g h ASP 49 Ca 0.14 0.01 0.14 0.00 -0.39 0.00 0.00 57.03 56.93 1j3g h ASP 49 Cb 0.30 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.23 1j3g h ASP 49 CO -0.00 0.14 0.52 0.00 -1.61 0.00 0.00 179.24 178.29 1j3g h ALA 50 N 1.13 2.03 0.91 -0.78 0.00 -0.83 0.75 119.26 122.46 1j3g h ALA 50 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1j3g h ALA 50 Cb 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1j3g h ALA 50 CO -0.07 -0.24 -0.44 1.25 0.00 0.00 0.00 179.25 179.76 1j3g h LEU 51 N 0.50 -1.03 -0.00 0.00 7.12 -1.01 0.38 115.31 121.26 1j3g h LEU 51 Ca 0.39 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.43 1j3g h LEU 51 Cb 0.79 0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1j3g h LEU 51 CO -0.14 -0.73 -0.00 -0.26 -0.13 0.00 0.00 178.44 177.17 1j3g h PHE 52 N -1.22 0.00 -0.53 1.25 0.04 -1.29 -3.13 116.94 112.07 1j3g h PHE 52 Ca -0.12 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.71 1j3g h PHE 52 Cb 0.93 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.05 1j3g h PHE 52 CO 0.02 0.36 0.35 0.00 -0.60 0.00 0.00 178.31 178.45 1j3g h THR 53 N -0.36 0.98 -0.04 -1.55 1.03 -1.00 -3.46 112.91 108.51 1j3g h THR 53 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1j3g h THR 53 Cb 0.36 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 67.91 1j3g h THR 53 CO 0.00 0.09 0.00 0.61 -0.01 0.00 0.00 175.52 176.21 1j3g n GLY 54 N -1.50 0.97 0.20 2.99 0.00 -0.82 -5.02 105.19 102.00 1j3g n GLY 54 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.09 0.68 -1.75 2.61 -2.24 0.01 -5.05 114.28 108.44 1j3g n THR 55 Ca 0.00 -0.78 -0.42 0.00 -2.27 0.00 0.00 64.05 60.58 1j3g n THR 55 Cb 0.02 0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.47 1.88 -3.62 2.28 3.06 -0.51 -4.91 119.36 117.07 1j3g n ILE 56 Ca 0.04 -0.47 -0.36 0.00 -2.50 0.00 0.00 62.75 59.46 1j3g n ILE 56 Cb 0.57 -1.87 -0.08 0.00 0.54 0.00 0.00 39.64 38.79 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 -0.10 6.25 -0.76 9.51 2.15 -1.26 -5.00 116.67 127.47 1j3g s ASP 57 Ca 0.55 0.28 -0.06 0.00 0.43 0.00 0.00 52.55 53.75 1j3g s ASP 57 Cb -0.50 -2.13 -0.10 0.00 -0.30 0.00 0.00 42.92 39.89 1j3g s ASP 57 CO 0.62 0.08 2.40 -0.81 -0.17 0.00 0.00 175.17 177.29 1j3g n PRO 58 N 3.96 2.13 -0.07 4.34 -0.04 -1.26 -4.34 135.00 139.72 1j3g n PRO 58 Ca -0.14 -1.34 -0.11 0.00 -0.04 0.00 0.00 63.50 61.87 1j3g n PRO 58 Cb 0.52 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 1j3g n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1j3g n ASN 59 N 3.62 1.75 -0.29 3.54 2.85 -1.26 -4.76 115.26 120.72 1j3g n ASN 59 Ca 0.46 0.29 -0.12 0.00 -0.11 0.00 0.00 54.58 55.10 1j3g n ASN 59 Cb 0.30 -0.66 -0.10 0.00 1.24 0.00 0.00 39.78 40.55 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3g h ALA 60 N -0.81 -0.64 -2.48 5.20 0.00 -2.04 -3.46 119.26 115.03 1j3g h ALA 60 Ca -0.12 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1j3g h ALA 60 Cb 0.96 1.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 1j3g h ALA 60 CO -0.07 -0.98 0.59 -3.38 0.00 0.00 0.00 179.25 175.41 1j3g s HIS 61 N -5.48 0.05 0.05 0.00 -3.43 -1.26 -5.07 115.29 100.14 1j3g s HIS 61 Ca -0.13 -0.42 -0.17 0.00 -0.80 0.00 0.00 55.06 53.54 1j3g s HIS 61 Cb 0.10 0.69 -0.17 0.00 -1.43 0.00 0.00 32.58 31.77 1j3g s HIS 61 CO 0.60 -0.88 1.26 -1.00 -2.00 0.00 0.00 174.74 172.71 1j3g h PRO 62 N 2.00 0.54 0.06 -0.38 0.13 -1.91 -3.27 132.00 129.18 1j3g h PRO 62 Ca -0.27 -0.42 0.02 0.00 -0.87 0.00 0.00 66.00 64.46 1j3g h PRO 62 Cb 1.22 0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1j3g h PRO 62 CO 0.35 1.04 -0.53 -0.92 -0.23 0.00 0.00 178.00 177.70 1j3g h TYR 63 N 0.16 -1.55 0.16 1.56 3.20 -1.98 0.14 116.97 118.65 1j3g h TYR 63 Ca -0.02 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1j3g h TYR 63 Cb 1.10 0.67 0.00 0.00 1.54 0.00 0.00 36.73 40.04 1j3g h TYR 63 CO 0.11 -0.59 -0.08 0.35 -1.64 0.00 0.00 178.16 176.31 1j3g h PHE 64 N -0.71 -0.20 -0.72 -3.82 3.04 -2.00 -1.45 116.94 111.07 1j3g h PHE 64 Ca 0.00 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.02 1j3g h PHE 64 Cb 0.74 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 39.25 1j3g h PHE 64 CO -0.49 -0.09 0.40 0.00 -2.02 0.00 0.00 178.31 176.11 1j3g h ALA 65 N 0.58 0.99 0.30 2.41 0.00 -1.59 -1.64 119.26 120.30 1j3g h ALA 65 Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j3g h ALA 65 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1j3g h ALA 65 CO 0.04 0.05 -0.24 0.78 0.00 0.00 0.00 179.25 179.88 1j3g h GLY 66 N 0.71 -0.89 2.00 0.00 0.00 -0.45 -3.19 103.07 101.25 1j3g h GLY 66 Ca 0.34 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 48.05 1j3g h GLY 66 CO -0.21 -0.30 -0.02 0.16 0.00 0.00 0.00 176.54 176.17 1j3g h ILE 67 N -0.51 0.44 -0.91 2.60 -0.00 -1.10 -3.04 117.51 114.98 1j3g h ILE 67 Ca -0.04 -0.09 0.26 0.00 -0.00 0.00 0.00 64.86 64.99 1j3g h ILE 67 Cb 0.43 1.06 -0.14 0.00 -0.00 0.00 0.00 36.82 38.17 1j3g h ILE 67 CO 0.00 0.02 0.31 0.00 -0.00 0.00 0.00 178.15 178.49 1j3g h ALA 68 N 1.98 1.45 -0.57 0.16 0.00 -1.29 0.63 119.26 121.63 1j3g h ALA 68 Ca -0.00 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1j3g h ALA 68 Cb 0.06 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1j3g h ALA 68 CO 0.00 -0.49 0.38 0.45 0.00 0.00 0.00 179.25 179.59 1j3g h HIS 69 N 0.23 0.50 -3.38 0.00 3.86 -1.70 -3.39 115.15 111.26 1j3g h HIS 69 Ca 0.60 0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 59.27 1j3g h HIS 69 Cb 1.26 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 1j3g h HIS 69 CO -0.21 0.26 0.08 -0.51 0.86 0.00 0.00 177.93 178.42 1j3g s LEU 70 N -9.43 4.48 0.57 2.43 1.02 0.21 -5.06 118.68 112.90 1j3g s LEU 70 Ca -0.08 1.37 -0.20 0.00 0.02 0.00 0.00 54.13 55.24 1j3g s LEU 70 Cb 0.19 -3.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 1j3g s LEU 70 CO 0.75 0.11 1.20 0.00 0.02 0.00 0.00 176.35 178.43 1j3g s ARG 71 N -0.43 3.13 0.31 1.70 1.70 -1.26 -4.95 118.95 119.15 1j3g s ARG 71 Ca 0.34 1.82 0.10 0.00 -0.47 0.00 0.00 55.73 57.53 1j3g s ARG 71 Cb -0.20 -2.02 -0.05 0.00 -0.57 0.00 0.00 34.95 32.10 1j3g s ARG 71 CO 0.21 -1.08 -0.06 0.14 -1.08 0.00 0.00 175.30 173.44 1j3g s VAL 72 N -1.59 2.67 -0.29 4.99 -7.23 -1.26 -4.90 120.40 112.79 1j3g s VAL 72 Ca 0.75 -2.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.65 1j3g s VAL 72 Cb -0.30 -2.67 0.12 0.00 0.56 0.00 0.00 36.38 34.10 1j3g s VAL 72 CO 0.33 -0.28 0.89 -0.44 -0.31 0.00 0.00 175.10 175.30 1j3g s SER 73 N -3.64 -0.64 0.00 4.85 0.01 -0.91 -4.77 113.70 108.59 1j3g s SER 73 Ca 0.33 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1j3g s SER 73 Cb -0.02 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.46 1j3g s SER 73 CO 0.18 -0.16 0.00 0.00 0.41 0.00 0.00 173.24 173.67 1j3g n ALA 74 N 3.81 0.00 0.09 1.44 0.00 -1.26 -1.39 120.51 123.20 1j3g n ALA 74 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1j3g n ALA 74 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N 0.00 -1.19 -3.66 0.00 8.25 -1.19 -4.54 115.22 112.89 1j3g n HIS 75 Ca 0.00 0.21 -0.20 0.00 -0.26 0.00 0.00 57.72 57.47 1j3g n HIS 75 Cb 0.00 0.30 -0.17 0.00 1.12 0.00 0.00 29.99 31.24 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 2.19 4.42 -0.36 0.00 2.96 0.12 -0.74 118.68 127.26 1j3g s LEU 77 Ca 0.04 -0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 53.10 1j3g s LEU 77 Cb -0.13 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.52 1j3g s LEU 77 CO -0.04 -0.27 0.61 -0.63 -1.32 0.00 0.00 176.35 174.69 1j3g s ILE 78 N 1.62 4.91 0.59 6.68 1.01 -0.53 -0.41 121.20 135.08 1j3g s ILE 78 Ca 0.04 0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.99 1j3g s ILE 78 Cb -0.18 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1j3g s ILE 78 CO 0.07 -0.33 1.10 -0.60 0.00 0.00 0.00 174.94 175.19 1j3g s ARG 79 N 2.65 3.16 0.27 2.79 3.52 0.51 -1.71 118.95 130.14 1j3g s ARG 79 Ca 0.23 1.43 0.15 0.00 -0.13 0.00 0.00 55.73 57.41 1j3g s ARG 79 Cb -0.15 -2.00 0.81 0.00 -1.56 0.00 0.00 34.95 32.06 1j3g s ARG 79 CO 0.15 -0.97 1.40 2.89 -0.81 0.00 0.00 175.30 177.96 1j3g n ARG 80 N -1.85 0.10 -0.51 5.12 -4.01 -1.19 -1.09 116.66 113.23 1j3g n ARG 80 Ca 0.10 0.57 0.04 0.00 -1.04 0.00 0.00 57.85 57.53 1j3g n ARG 80 Cb 0.52 -1.95 0.23 0.00 -3.04 0.00 0.00 32.46 28.22 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 -2.04 3.70 -2.14 2.89 -0.08 -1.26 -3.55 116.55 114.06 1j3g n ASP 81 Ca -0.01 -2.52 -0.19 0.00 -1.51 0.00 0.00 54.79 50.56 1j3g n ASP 81 Cb 0.15 -0.60 -0.02 0.00 2.34 0.00 0.00 41.12 43.00 1j3g n ASP 81 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j3g n GLY 82 N 0.39 -0.19 3.40 0.27 0.00 -0.25 -4.99 105.19 103.82 1j3g n GLY 82 Ca 0.16 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.83 2.87 -0.16 1.61 2.02 -1.21 -4.83 118.70 114.17 1j3g s GLU 83 Ca 0.00 -1.12 -0.29 0.00 0.02 0.00 0.00 54.97 53.57 1j3g s GLU 83 Cb 0.00 -3.87 -0.01 0.00 0.10 0.00 0.00 34.13 30.35 1j3g s GLU 83 CO 0.00 -0.78 1.19 0.42 0.02 0.00 0.00 175.26 176.11 1j3g s ILE 84 N 1.60 4.39 -0.18 -1.63 1.01 -1.26 -0.36 121.20 124.76 1j3g s ILE 84 Ca 0.03 1.68 -0.04 0.00 0.00 0.00 0.00 60.65 62.33 1j3g s ILE 84 Cb -0.20 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 1j3g s ILE 84 CO 0.07 -0.12 -0.04 -0.69 0.00 0.00 0.00 174.94 174.17 1j3g s VAL 85 N 3.15 3.66 -0.35 2.92 1.01 0.45 -0.01 120.40 131.24 1j3g s VAL 85 Ca 0.52 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1j3g s VAL 85 Cb -0.21 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1j3g s VAL 85 CO 0.14 0.46 0.21 -1.58 0.00 0.00 0.00 175.10 174.33 1j3g s GLN 86 N 0.84 3.23 -0.21 2.72 -0.44 -0.25 -0.71 119.66 124.84 1j3g s GLN 86 Ca -0.01 -0.81 0.02 0.00 -2.50 0.00 0.00 55.36 52.05 1j3g s GLN 86 Cb -0.15 -3.74 0.04 0.00 -1.64 0.00 0.00 33.01 27.53 1j3g s GLN 86 CO 0.02 -0.53 -0.13 0.71 0.50 0.00 0.00 175.29 175.86 1j3g s TYR 87 N 1.64 2.78 0.00 1.67 1.51 -0.47 -0.74 117.35 123.74 1j3g s TYR 87 Ca 0.05 -1.85 0.00 0.00 -1.01 0.00 0.00 57.07 54.26 1j3g s TYR 87 Cb -0.18 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1j3g s TYR 87 CO 0.08 -0.80 0.00 0.28 -1.11 0.00 0.00 175.55 174.00 1j3g n VAL 88 N 4.59 -1.76 -0.40 0.71 0.31 -1.26 -3.19 118.33 117.33 1j3g n VAL 88 Ca -0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.16 1j3g n VAL 88 Cb 0.46 -3.18 0.01 0.00 -0.91 0.00 0.00 33.84 30.21 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 0.03 -1.31 0.00 5.55 -0.04 -1.26 -4.64 135.00 133.33 1j3g n PRO 89 Ca 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1j3g n PRO 89 Cb 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 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 -2.71 0.00 -3.69 0.54 3.72 -1.26 -4.56 117.46 109.50 1j3g n PHE 90 Ca 0.01 -0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.25 1j3g n PHE 90 Cb 0.02 -0.02 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 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 -0.74 0.46 0.00 4.37 2.15 -1.26 -4.98 116.67 116.67 1j3g s ASP 91 Ca 0.00 0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1j3g s ASP 91 Cb 0.00 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.91 1j3g s ASP 91 CO 0.00 -0.22 0.00 1.17 -0.17 0.00 0.00 175.17 175.95 1j3g n LYS 92 N 4.99 0.00 -1.03 4.34 3.00 -1.26 -5.02 118.16 123.18 1j3g n LYS 92 Ca -0.11 0.34 -0.36 0.00 -0.00 0.00 0.00 58.31 58.17 1j3g n LYS 92 Cb 0.50 -0.95 -0.03 0.00 0.00 0.00 0.00 35.03 34.56 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 -0.27 0.00 -3.12 1.64 0.63 -1.26 -4.70 116.66 109.58 1j3g n ARG 93 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 1j3g n ARG 93 Cb 0.00 -0.78 0.04 0.00 0.45 0.00 0.00 32.46 32.16 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 0.16 0.99 -3.62 5.13 0.00 -1.26 -3.16 120.51 118.74 1j3g n ALA 94 Ca 0.13 -1.95 -0.10 0.00 0.00 0.00 0.00 53.44 51.52 1j3g n ALA 94 Cb 0.17 0.64 -0.11 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.36 -0.67 -0.41 0.00 -0.00 -0.48 -4.73 118.94 110.28 1j3g s TRP 95 Ca 0.45 1.25 0.04 0.00 -0.00 0.00 0.00 56.10 57.84 1j3g s TRP 95 Cb -0.04 0.15 0.30 0.00 -0.00 0.00 0.00 33.47 33.89 1j3g s TRP 95 CO 0.28 -0.47 1.18 -2.39 -0.00 0.00 0.00 176.95 175.56 1j3g n HIS 96 N 5.37 -1.90 0.00 5.86 1.44 -1.25 -2.14 115.22 122.61 1j3g n HIS 96 Ca -0.07 -1.45 0.00 0.00 -2.01 0.00 0.00 57.72 54.19 1j3g n HIS 96 Cb 0.50 1.41 0.00 0.00 0.12 0.00 0.00 29.99 32.02 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 0.78 0.44 0.00 1.59 0.00 -1.26 -4.94 120.51 117.12 1j3g n ALA 97 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1j3g n ALA 97 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.06 2.36 3.08 0.00 0.00 -1.26 -5.03 105.19 103.28 1j3g n GLY 98 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1j3g n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3g s VAL 99 N 0.00 0.05 -0.13 1.61 1.01 -1.26 -4.18 120.40 117.50 1j3g s VAL 99 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1j3g s VAL 99 Cb 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 36.38 36.13 1j3g s VAL 99 CO 0.00 -0.23 0.89 -0.94 0.00 0.00 0.00 175.10 174.82 1j3g s SER 100 N -0.80 -0.47 -0.06 3.32 1.04 -1.16 -4.70 113.70 110.87 1j3g s SER 100 Ca -0.09 0.53 -0.03 0.00 0.48 0.00 0.00 55.95 56.84 1j3g s SER 100 Cb -0.05 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1j3g s SER 100 CO 0.01 -0.42 0.15 -0.94 0.98 0.00 0.00 173.24 173.02 1j3g s SER 101 N -1.07 -0.12 -0.29 7.02 1.04 -1.26 -0.31 113.70 118.71 1j3g s SER 101 Ca -0.05 0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.57 1j3g s SER 101 Cb -0.01 0.22 0.11 0.00 0.10 0.00 0.00 66.02 66.44 1j3g s SER 101 CO 0.04 -0.13 0.65 -0.47 0.98 0.00 0.00 173.24 174.32 1j3g s TYR 102 N 0.94 -1.20 -0.69 5.02 5.04 -0.35 -4.29 117.35 121.81 1j3g s TYR 102 Ca -0.07 2.21 -0.03 0.00 -2.44 0.00 0.00 57.07 56.74 1j3g s TYR 102 Cb -0.09 0.71 0.00 0.00 0.35 0.00 0.00 41.96 42.94 1j3g s TYR 102 CO -0.05 -0.60 0.68 1.04 -1.34 0.00 0.00 175.55 175.28 1j3g n GLN 103 N 4.97 -1.51 -2.29 4.97 6.02 -1.26 -3.67 117.38 124.60 1j3g n GLN 103 Ca -0.15 1.56 -0.15 0.00 -0.01 0.00 0.00 57.00 58.25 1j3g n GLN 103 Cb 0.53 -5.54 -0.02 0.00 1.02 0.00 0.00 30.24 26.24 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 -1.51 -0.23 2.87 1.08 0.00 -1.26 -4.92 105.19 101.21 1j3g n GLY 104 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.79 0.21 0.08 1.61 3.52 -1.24 -5.13 118.95 113.21 1j3g s ARG 105 Ca 0.00 0.45 -0.17 0.00 -0.13 0.00 0.00 55.73 55.88 1j3g s ARG 105 Cb 0.00 -0.68 -0.07 0.00 -1.56 0.00 0.00 34.95 32.64 1j3g s ARG 105 CO 0.00 -0.53 0.53 -2.00 -0.81 0.00 0.00 175.30 172.49 1j3g s GLU 106 N 2.40 4.08 -0.17 5.12 2.12 -1.26 -1.21 118.70 129.78 1j3g s GLU 106 Ca 0.06 0.60 0.01 0.00 0.36 0.00 0.00 54.97 56.00 1j3g s GLU 106 Cb -0.14 -3.15 0.03 0.00 0.26 0.00 0.00 34.13 31.13 1j3g s GLU 106 CO -0.12 0.60 -0.13 1.03 -0.54 0.00 0.00 175.26 176.11 1j3g s ARG 107 N -1.35 2.26 0.29 4.30 0.52 0.58 -4.97 118.95 120.58 1j3g s ARG 107 Ca 0.30 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1j3g s ARG 107 Cb -0.18 -2.27 0.43 0.00 0.52 0.00 0.00 34.95 33.45 1j3g s ARG 107 CO 0.18 -0.31 1.76 0.00 0.02 0.00 0.00 175.30 176.95 1j3g s ASN 109 N -6.76 0.32 -1.29 0.00 0.02 -1.26 -4.38 114.94 101.59 1j3g s ASN 109 Ca -0.08 -1.29 -0.15 0.00 -1.02 0.00 0.00 52.86 50.33 1j3g s ASN 109 Cb 0.14 0.50 0.12 0.00 0.02 0.00 0.00 41.25 42.03 1j3g s ASN 109 CO 0.79 -1.03 1.72 -0.67 0.02 0.00 0.00 177.10 177.94 1j3g n ASP 110 N -0.59 4.91 -1.27 -1.22 2.03 -1.26 -4.81 116.55 114.34 1j3g n ASP 110 Ca 0.01 -2.96 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1j3g n ASP 110 Cb 0.64 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 1j3g n ASP 110 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1j3g n PHE 111 N 6.41 0.00 -4.34 -0.67 1.16 -1.26 -4.63 117.46 114.14 1j3g n PHE 111 Ca 0.44 -0.71 -0.24 0.00 -1.87 0.00 0.00 57.45 55.07 1j3g n PHE 111 Cb 0.42 -0.37 -0.12 0.00 -1.61 0.00 0.00 39.48 37.81 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 1.51 2.83 -1.08 5.98 0.01 -1.26 -4.47 113.70 117.22 1j3g s SER 112 Ca 0.00 -0.80 -0.05 0.00 1.31 0.00 0.00 55.95 56.40 1j3g s SER 112 Cb 0.00 -0.17 0.07 0.00 0.21 0.00 0.00 66.02 66.12 1j3g s SER 112 CO 0.00 0.04 2.60 0.00 0.41 0.00 0.00 173.24 176.29 1j3g n ILE 113 N 0.57 4.59 0.00 1.44 0.00 -1.26 -4.90 119.36 119.81 1j3g n ILE 113 Ca -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 62.75 58.90 1j3g n ILE 113 Cb 0.55 -2.01 0.00 0.00 0.00 0.00 0.00 39.64 38.19 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 1.73 0.65 3.15 4.50 0.00 -1.23 -4.79 105.19 109.21 1j3g n GLY 114 Ca 0.60 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.16 -0.04 -0.61 -1.09 -1.26 -4.64 121.20 113.72 1j3g s ILE 115 Ca 0.00 -1.62 0.01 0.00 -2.23 0.00 0.00 60.65 56.81 1j3g s ILE 115 Cb 0.00 -1.60 0.02 0.00 -1.58 0.00 0.00 42.46 39.30 1j3g s ILE 115 CO 0.00 -0.74 -0.05 -0.70 -1.23 0.00 0.00 174.94 172.22 1j3g s GLU 116 N -3.93 0.82 0.12 2.79 2.56 0.08 -3.37 118.70 117.76 1j3g s GLU 116 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 54.97 54.99 1j3g s GLU 116 Cb 0.07 -0.82 -0.04 0.00 2.00 0.00 0.00 34.13 35.34 1j3g s GLU 116 CO -0.07 -0.07 0.23 -0.51 -0.56 0.00 0.00 175.26 174.27 1j3g s LEU 117 N 0.86 4.23 0.08 2.70 1.43 -1.26 -1.45 118.68 125.28 1j3g s LEU 117 Ca -0.12 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1j3g s LEU 117 Cb -0.14 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1j3g s LEU 117 CO 0.00 0.10 -0.07 -0.70 0.23 0.00 0.00 176.35 175.92 1j3g s GLU 118 N -2.93 0.76 0.00 1.70 -6.30 -0.70 -2.92 118.70 108.32 1j3g s GLU 118 Ca 0.34 -1.21 0.00 0.00 -2.50 0.00 0.00 54.97 51.59 1j3g s GLU 118 Cb -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 34.13 33.81 1j3g s GLU 118 CO 0.27 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.95 1j3g n GLY 119 N 0.26 0.55 2.76 -1.50 0.00 -1.00 -3.18 105.19 103.08 1j3g n GLY 119 Ca -0.14 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 1j3g n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3g s THR 120 N -2.10 -0.38 -1.49 2.61 -4.23 -1.26 -4.57 115.64 104.22 1j3g s THR 120 Ca 0.00 -0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.15 1j3g s THR 120 Cb 0.00 -0.88 0.01 0.00 1.34 0.00 0.00 72.50 72.97 1j3g s THR 120 CO 0.00 -0.37 0.21 -0.67 -0.54 0.00 0.00 174.62 173.25 1j3g n ASP 121 N 5.31 0.27 -3.75 3.99 2.03 -1.26 -0.90 116.55 122.25 1j3g n ASP 121 Ca -0.03 -1.15 -0.29 0.00 0.52 0.00 0.00 54.79 53.84 1j3g n ASP 121 Cb 0.47 -2.27 0.00 0.00 -0.72 0.00 0.00 41.12 38.60 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 -4.49 -1.35 -1.73 5.18 -2.24 -1.26 -4.93 114.28 103.45 1j3g n THR 122 Ca -0.31 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 1j3g n THR 122 Cb 0.69 -2.16 -0.01 0.00 -2.10 0.00 0.00 70.33 66.74 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 -4.21 4.14 -0.95 3.22 7.94 -0.08 -4.60 117.00 122.45 1j3g n LEU 123 Ca 0.03 1.16 -0.14 0.00 -1.11 0.00 0.00 56.01 55.95 1j3g n LEU 123 Cb 0.52 -1.56 -0.02 0.00 0.53 0.00 0.00 43.42 42.89 1j3g n LEU 123 CO 0.68 -0.01 0.33 0.00 -1.11 0.00 0.00 177.39 177.28 1j3g n ALA 124 N 1.69 -0.06 0.88 1.96 0.00 -1.26 -4.75 120.51 118.97 1j3g n ALA 124 Ca 0.08 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1j3g n ALA 124 Cb 0.36 -0.44 0.55 0.00 0.00 0.00 0.00 19.45 19.92 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 1.38 0.06 -2.57 0.00 4.01 -1.26 -4.66 117.16 114.12 1j3g n TYR 125 Ca 0.10 0.02 -0.04 0.00 -0.16 0.00 0.00 57.90 57.82 1j3g n TYR 125 Cb -0.01 -0.53 0.01 0.00 -0.31 0.00 0.00 39.34 38.50 1j3g n TYR 125 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1j3g n THR 126 N -1.55 -8.71 -0.14 -0.72 -2.24 -1.23 -4.34 114.28 95.34 1j3g n THR 126 Ca 0.06 0.45 0.11 0.00 -2.27 0.00 0.00 64.05 62.40 1j3g n THR 126 Cb 0.31 -6.42 0.17 0.00 -2.10 0.00 0.00 70.33 62.29 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 -0.68 0.02 -0.33 3.42 9.92 -1.26 -0.39 116.55 127.24 1j3g n ASP 127 Ca 0.07 0.25 0.22 0.00 -0.53 0.00 0.00 54.79 54.80 1j3g n ASP 127 Cb 0.39 -0.13 0.42 0.00 -0.64 0.00 0.00 41.12 41.17 1j3g n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j3g n ALA 128 N -2.34 0.73 -0.28 2.24 0.00 -1.26 -0.59 120.51 119.01 1j3g n ALA 128 Ca 0.10 1.04 0.01 0.00 0.00 0.00 0.00 53.44 54.59 1j3g n ALA 128 Cb 0.42 -0.88 0.08 0.00 0.00 0.00 0.00 19.45 19.07 1j3g n ALA 128 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1j3g h GLN 129 N 0.00 -0.02 -0.97 0.00 4.20 -0.95 0.19 115.11 117.56 1j3g h GLN 129 Ca 0.71 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.42 1j3g h GLN 129 Cb 1.68 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.42 1j3g h GLN 129 CO -0.86 -0.02 0.62 1.88 -0.67 0.00 0.00 178.83 179.79 1j3g h TYR 130 N -0.02 1.24 0.80 2.96 0.05 -1.09 0.18 116.97 121.09 1j3g h TYR 130 Ca 0.36 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.12 1j3g h TYR 130 Cb 0.59 -0.42 0.01 0.00 1.01 0.00 0.00 36.73 37.92 1j3g h TYR 130 CO -0.66 0.80 -0.39 1.96 -1.05 0.00 0.00 178.16 178.82 1j3g h GLN 131 N 1.33 -1.04 -0.18 4.88 4.20 -0.65 -1.08 115.11 122.56 1j3g h GLN 131 Ca 0.35 0.07 -0.03 0.00 0.06 0.00 0.00 58.65 59.11 1j3g h GLN 131 Cb -0.12 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1j3g h GLN 131 CO -0.07 -0.68 0.01 1.96 -0.67 0.00 0.00 178.83 179.37 1j3g h GLN 132 N -1.16 0.32 -0.52 1.46 7.50 -1.03 -1.42 115.11 120.26 1j3g h GLN 132 Ca -0.11 -0.10 0.07 0.00 0.50 0.00 0.00 58.65 59.02 1j3g h GLN 132 Cb 0.84 -0.03 -0.06 0.00 0.05 0.00 0.00 27.48 28.28 1j3g h GLN 132 CO 0.18 0.51 0.18 1.25 -1.50 0.00 0.00 178.83 179.45 1j3g h LEU 133 N 0.08 0.17 -0.81 1.46 5.85 -0.73 0.53 115.31 121.85 1j3g h LEU 133 Ca 0.05 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1j3g h LEU 133 Cb 0.36 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1j3g h LEU 133 CO 0.01 0.12 0.38 0.00 -0.34 0.00 0.00 178.44 178.61 1j3g h ALA 134 N 1.35 1.05 0.29 1.25 0.00 -1.05 0.18 119.26 122.34 1j3g h ALA 134 Ca 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1j3g h ALA 134 Cb 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1j3g h ALA 134 CO -0.26 0.62 -0.22 0.00 0.00 0.00 0.00 179.25 179.39 1j3g h ALA 135 N 1.20 -0.50 0.12 0.00 0.00 -0.32 0.14 119.26 119.90 1j3g h ALA 135 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1j3g h ALA 135 Cb 0.13 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1j3g h ALA 135 CO -0.03 -0.80 -0.27 0.28 0.00 0.00 0.00 179.25 178.43 1j3g h VAL 136 N -0.51 0.00 -0.05 0.00 2.07 -0.67 -2.01 116.25 115.08 1j3g h VAL 136 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1j3g h VAL 136 Cb 0.44 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1j3g h VAL 136 CO -0.00 0.00 -0.24 0.74 0.02 0.00 0.00 177.57 178.09 1j3g h THR 137 N -0.42 0.45 -0.84 2.57 2.02 -0.62 0.33 112.91 116.40 1j3g h THR 137 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1j3g h THR 137 Cb 0.41 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1j3g h THR 137 CO -0.11 0.00 0.52 0.78 0.37 0.00 0.00 175.52 177.08 1j3g h ASN 138 N -0.34 0.84 -0.22 4.18 2.35 -0.98 0.96 115.58 122.37 1j3g h ASN 138 Ca 0.07 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1j3g h ASN 138 Cb 0.45 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1j3g h ASN 138 CO -0.24 0.56 -0.22 0.00 -1.65 0.00 0.00 177.43 175.87 1j3g h ALA 139 N 1.37 0.32 -0.78 -0.83 0.00 -0.71 -2.67 119.26 115.97 1j3g h ALA 139 Ca 0.35 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1j3g h ALA 139 Cb 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1j3g h ALA 139 CO -0.15 0.27 0.51 -0.07 0.00 0.00 0.00 179.25 179.82 1j3g h LEU 140 N 0.22 0.70 -1.28 0.00 3.38 0.21 -1.24 115.31 117.30 1j3g h LEU 140 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1j3g h LEU 140 Cb 0.78 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1j3g h LEU 140 CO 0.06 0.44 0.20 0.40 0.09 0.00 0.00 178.44 179.62 1j3g h ILE 141 N 0.79 1.18 0.00 1.22 2.04 -0.70 0.04 117.51 122.07 1j3g h ILE 141 Ca 0.35 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1j3g h ILE 141 Cb 0.33 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1j3g h ILE 141 CO -0.13 0.22 0.00 0.41 0.00 0.00 0.00 178.15 178.65 1j3g n THR 142 N -4.36 1.07 -0.04 -0.27 -1.04 -0.48 -2.60 114.28 106.57 1j3g n THR 142 Ca 0.04 0.46 -0.03 0.00 -2.04 0.00 0.00 64.05 62.47 1j3g n THR 142 Cb 0.15 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.24 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 -2.07 0.21 -4.07 -2.82 5.12 -0.15 -4.94 116.66 107.95 1j3g n ARG 143 Ca 0.01 0.12 -0.33 0.00 -1.93 0.00 0.00 57.85 55.73 1j3g n ARG 143 Cb 0.12 -0.92 -0.15 0.00 -1.16 0.00 0.00 32.46 30.35 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 -1.75 3.13 -0.47 -1.55 1.51 -0.33 -5.09 117.35 112.80 1j3g s TYR 144 Ca -0.11 -2.08 -0.20 0.00 -1.01 0.00 0.00 57.07 53.67 1j3g s TYR 144 Cb 0.02 -1.94 0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1j3g s TYR 144 CO 0.16 -0.85 0.64 -1.25 -1.11 0.00 0.00 175.55 173.14 1j3g s PRO 145 N 1.17 3.21 0.00 -1.71 0.04 -1.07 -4.19 135.00 132.45 1j3g s PRO 145 Ca -0.05 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 60.41 1j3g s PRO 145 Cb -0.18 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1j3g s PRO 145 CO -0.07 -1.10 0.00 0.00 0.04 0.00 0.00 177.00 175.87 1j3g n ALA 146 N 6.24 1.18 -0.32 8.56 0.00 -1.26 -4.93 120.51 129.99 1j3g n ALA 146 Ca -0.04 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.69 1j3g n ALA 146 Cb 0.47 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.54 1j3g n ALA 146 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j3g h ILE 147 N 0.00 0.46 -0.49 0.00 2.04 -1.77 -0.62 117.51 117.12 1j3g h ILE 147 Ca 0.00 -0.07 0.14 0.00 1.00 0.00 0.00 64.86 65.93 1j3g h ILE 147 Cb 0.00 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1j3g h ILE 147 CO 0.00 0.04 0.49 0.00 0.00 0.00 0.00 178.15 178.68 1j3g h ALA 148 N 1.53 2.25 0.00 1.87 0.00 -1.91 -1.17 119.26 121.83 1j3g h ALA 148 Ca 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1j3g h ALA 148 Cb 1.86 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1j3g h ALA 148 CO -0.18 -0.75 -0.26 0.09 0.00 0.00 0.00 179.25 178.15 1j3g n ASN 149 N -3.79 0.88 -3.44 0.00 4.13 -0.29 -4.17 115.26 108.59 1j3g n ASN 149 Ca 0.09 -2.27 -0.28 0.00 1.68 0.00 0.00 54.58 53.80 1j3g n ASN 149 Cb 0.69 -0.25 -0.11 0.00 -1.54 0.00 0.00 39.78 38.58 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 -1.53 2.12 -0.18 6.41 -0.87 -0.44 -5.07 114.94 115.37 1j3g s ASN 150 Ca 0.11 -2.80 0.00 0.00 -1.57 0.00 0.00 52.86 48.60 1j3g s ASN 150 Cb 0.09 -0.49 0.02 0.00 -0.02 0.00 0.00 41.25 40.85 1j3g s ASN 150 CO 0.01 -0.22 -0.18 -0.04 -2.57 0.00 0.00 177.10 174.11 1j3g s MET 151 N 0.34 3.05 0.00 -0.60 -1.94 -1.26 -3.29 119.30 115.61 1j3g s MET 151 Ca 0.27 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.45 1j3g s MET 151 Cb -0.06 -2.63 0.00 0.00 2.01 0.00 0.00 34.83 34.15 1j3g s MET 151 CO -0.12 -0.20 0.00 -2.37 -0.01 0.00 0.00 175.02 172.32 1j3g n THR 152 N 4.63 0.00 0.00 2.05 5.66 -0.80 -5.02 114.28 120.79 1j3g n THR 152 Ca -0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1j3g n THR 152 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 3.69 0.01 1.09 0.00 -1.26 -0.56 105.19 108.17 1j3g n GLY 153 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 0.76 1.61 -0.00 -0.53 -4.50 115.22 112.56 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 -0.22 -0.11 0.00 -0.00 0.00 0.00 29.99 29.66 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 -1.52 6.34 0.09 0.00 5.15 -1.05 -4.46 115.26 119.82 1j3g n ASN 156 Ca 0.03 -3.16 0.08 0.00 -0.60 0.00 0.00 54.58 50.93 1j3g n ASN 156 Cb 0.31 -1.01 0.39 0.00 -0.53 0.00 0.00 39.78 38.94 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 0.06 1.15 0.11 -1.44 -0.00 -1.26 -4.54 119.36 113.44 1j3g n ILE 157 Ca 0.36 0.44 0.00 0.00 -0.00 0.00 0.00 62.75 63.54 1j3g n ILE 157 Cb 0.65 -1.37 0.00 0.00 -0.00 0.00 0.00 39.64 38.93 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 -1.67 0.33 -2.62 -1.28 0.00 -1.26 -4.38 120.51 109.63 1j3g n ALA 158 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1j3g n ALA 158 Cb 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 1j3g n ALA 158 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3g s PRO 159 N -2.00 4.00 0.61 0.00 0.04 -1.26 -4.93 135.00 131.45 1j3g s PRO 159 Ca 0.00 0.58 0.32 0.00 0.04 0.00 0.00 61.00 61.94 1j3g s PRO 159 Cb 0.00 -3.71 1.88 0.00 0.04 0.00 0.00 34.50 32.71 1j3g s PRO 159 CO 0.00 -0.61 2.22 1.49 0.04 0.00 0.00 177.00 180.15 1j3g h GLU 160 N 8.04 0.00 0.00 4.56 4.81 -1.91 -2.62 114.58 127.46 1j3g h GLU 160 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 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 0.85 0.00 0.12 -0.09 -0.73 0.00 0.00 179.01 179.17 1j3g h ARG 161 N 0.00 0.00 -3.91 1.92 9.65 -1.95 -3.39 114.38 116.70 1j3g h ARG 161 Ca 0.02 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.66 1j3g h ARG 161 Cb 0.16 0.00 -0.27 0.00 -1.39 0.00 0.00 29.97 28.47 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 -4.05 0.15 0.00 0.20 1.02 -0.99 -5.05 119.74 111.02 1j3g s LYS 162 Ca -0.04 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1j3g s LYS 162 Cb 0.11 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1j3g s LYS 162 CO 0.34 0.02 0.00 2.41 -0.92 0.00 0.00 175.35 177.20 1j3g n THR 163 N 2.83 0.00 -4.01 2.17 -1.04 -1.26 -2.51 114.28 110.46 1j3g n THR 163 Ca -0.14 -0.07 0.03 0.00 -2.04 0.00 0.00 64.05 61.83 1j3g n THR 163 Cb 0.59 0.48 0.01 0.00 -1.82 0.00 0.00 70.33 69.59 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 -0.76 0.01 -1.30 8.00 2.15 -1.26 -0.93 116.67 122.58 1j3g s ASP 164 Ca 0.00 -0.18 -0.18 0.00 0.43 0.00 0.00 52.55 52.62 1j3g s ASP 164 Cb 0.00 0.13 0.07 0.00 -0.30 0.00 0.00 42.92 42.82 1j3g s ASP 164 CO 0.00 -0.26 1.74 -0.81 -0.17 0.00 0.00 175.17 175.67 1j3g n PRO 165 N -0.93 3.20 0.00 4.34 -0.04 -1.26 -4.20 135.00 136.11 1j3g n PRO 165 Ca 0.04 -3.28 0.00 0.00 -0.04 0.00 0.00 63.50 60.22 1j3g n PRO 165 Cb 0.58 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 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 5.32 0.66 0.09 0.55 0.00 -1.26 -4.92 105.19 105.64 1j3g n GLY 166 Ca 0.49 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1j3g n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j3g h PRO 167 N 0.00 -0.08 -6.19 1.61 0.13 -1.94 -3.37 132.00 122.16 1j3g h PRO 167 Ca 0.00 0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.69 1j3g h PRO 167 Cb 0.00 0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.16 1j3g h PRO 167 CO 0.00 0.51 -0.78 0.45 -0.23 0.00 0.00 178.00 177.95 1j3g n SER 168 N -4.80 -3.64 -1.18 1.44 2.88 -1.26 -4.65 113.62 102.41 1j3g n SER 168 Ca -0.08 -0.77 0.08 0.00 -1.33 0.00 0.00 58.87 56.76 1j3g n SER 168 Cb 0.31 -4.04 0.30 0.00 -0.75 0.00 0.00 64.21 60.02 1j3g n SER 168 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1j3g n PHE 169 N -4.57 1.23 -3.59 0.66 7.35 -1.26 -5.03 117.46 112.25 1j3g n PHE 169 Ca -0.08 -0.77 -0.30 0.00 -0.76 0.00 0.00 57.45 55.54 1j3g n PHE 169 Cb 0.58 -0.32 0.02 0.00 0.35 0.00 0.00 39.48 40.11 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 0.05 -5.40 -0.29 -2.13 2.03 -1.26 -4.54 116.55 105.00 1j3g n ASP 170 Ca 0.22 -0.50 0.22 0.00 0.52 0.00 0.00 54.79 55.26 1j3g n ASP 170 Cb 0.92 -1.98 0.53 0.00 -0.72 0.00 0.00 41.12 39.87 1j3g n ASP 170 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1j3g h TRP 171 N 0.93 0.56 -0.23 -0.67 4.06 -1.97 0.52 115.95 119.16 1j3g h TRP 171 Ca -0.55 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.39 1j3g h TRP 171 Cb 1.37 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 29.36 1j3g h TRP 171 CO 0.12 0.09 0.03 0.00 -3.56 0.00 0.00 178.44 175.12 1j3g h ALA 172 N 1.60 0.30 0.12 1.49 0.00 -1.98 -1.41 119.26 119.38 1j3g h ALA 172 Ca 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1j3g h ALA 172 Cb 1.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1j3g h ALA 172 CO -0.23 -0.02 -0.06 0.00 0.00 0.00 0.00 179.25 178.95 1j3g h ARG 173 N 0.18 -0.15 0.24 0.00 2.47 -1.23 -1.10 114.38 114.79 1j3g h ARG 173 Ca 0.07 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1j3g h ARG 173 Cb 0.33 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1j3g h ARG 173 CO 0.01 -0.01 -0.12 0.35 0.56 0.00 0.00 179.97 180.76 1j3g h PHE 174 N -0.26 -0.30 0.00 3.04 3.57 -1.46 -2.71 116.94 118.82 1j3g h PHE 174 Ca -0.02 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1j3g h PHE 174 Cb 0.21 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1j3g h PHE 174 CO -0.04 -0.07 -0.12 -0.09 -2.23 0.00 0.00 178.31 175.76 1j3g h ARG 175 N -0.49 0.00 -0.58 1.11 2.43 -1.29 -0.53 114.38 115.03 1j3g h ARG 175 Ca -0.03 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1j3g h ARG 175 Cb 0.36 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1j3g h ARG 175 CO 0.05 0.12 -0.04 0.00 -1.51 0.00 0.00 179.97 178.59 1j3g h ALA 176 N 1.88 0.79 0.39 2.80 0.00 -1.01 -3.36 119.26 120.75 1j3g h ALA 176 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1j3g h ALA 176 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1j3g h ALA 176 CO 0.02 0.67 -0.19 -0.07 0.00 0.00 0.00 179.25 179.67 1j3g h LEU 177 N 0.95 -0.44-10.28 0.00 3.38 -0.97 -3.46 115.31 104.48 1j3g h LEU 177 Ca 0.16 0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.67 1j3g h LEU 177 Cb 0.61 0.11 0.17 0.00 0.09 0.00 0.00 40.66 41.65 1j3g h LEU 177 CO 0.04 -0.07 0.18 -0.69 0.09 0.00 0.00 178.44 177.99 1j3g s VAL 178 N -3.29 2.36 -0.48 1.22 1.01 -0.31 -4.87 120.40 116.04 1j3g s VAL 178 Ca -0.08 0.12 -0.44 0.00 0.00 0.00 0.00 61.98 61.58 1j3g s VAL 178 Cb 0.01 -2.43 -0.19 0.00 0.00 0.00 0.00 36.38 33.77 1j3g s VAL 178 CO 0.23 -0.15 1.96 0.41 0.00 0.00 0.00 175.10 177.54 1j3g n THR 179 N -4.22 0.03 -1.43 3.92 -1.04 -1.26 -4.81 114.28 105.46 1j3g n THR 179 Ca 0.07 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.05 61.77 1j3g n THR 179 Cb 0.55 -0.61 -0.07 0.00 -1.82 0.00 0.00 70.33 68.38 1j3g n THR 179 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j3g n PRO 180 N 6.36 3.12 -3.09 -2.82 -0.04 -1.26 -4.65 135.00 132.62 1j3g n PRO 180 Ca 0.45 -2.20 -0.20 0.00 -0.04 0.00 0.00 63.50 61.52 1j3g n PRO 180 Cb -0.02 -2.38 -0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1j3g n PRO 180 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 181 N 2.18 -3.84 0.00 3.54 2.88 -1.26 -4.66 113.62 112.45 1j3g n SER 181 Ca 0.58 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1j3g n SER 181 Cb 0.50 -3.20 0.00 0.00 -0.75 0.00 0.00 64.21 60.76 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 -2.16 0.00 -4.58 -3.46 2.88 -1.26 -4.98 113.62 100.06 1j3g n SER 182 Ca -0.05 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.09 1j3g n SER 182 Cb 0.56 0.16 -0.01 0.00 -0.75 0.00 0.00 64.21 64.17 1j3g n SER 182 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1j3g s HIS 183 N -1.65 2.59 -0.11 0.66 5.04 -1.26 -4.86 115.29 115.70 1j3g s HIS 183 Ca 0.00 -1.14 -0.06 0.00 -1.54 0.00 0.00 55.06 52.33 1j3g s HIS 183 Cb 0.00 -4.62 0.05 0.00 0.04 0.00 0.00 32.58 28.05 1j3g s HIS 183 CO 0.00 -1.73 0.26 0.21 -2.34 0.00 0.00 174.74 171.14 1j3g s LYS 184 N 4.75 0.22 1.21 2.88 2.20 -1.26 -4.58 119.74 125.16 1j3g s LYS 184 Ca 0.55 0.56 -0.18 0.00 -0.36 0.00 0.00 55.97 56.55 1j3g s LYS 184 Cb 0.02 -0.11 0.29 0.00 -1.51 0.00 0.00 37.83 36.52 1j3g s LYS 184 CO 0.06 -0.17 1.05 -1.83 -0.36 0.00 0.00 175.35 174.11 1j3g s GLU 185 N 1.31 -1.30 0.71 4.03 -1.05 -1.26 -5.00 118.70 116.14 1j3g s GLU 185 Ca -0.09 0.21 -0.14 0.00 -0.15 0.00 0.00 54.97 54.80 1j3g s GLU 185 Cb -0.10 -1.56 0.03 0.00 -0.44 0.00 0.00 34.13 32.05 1j3g s GLU 185 CO -0.09 -3.82 1.14 1.41 0.95 0.00 0.00 175.26 174.85 1j3g s MET 186 N -5.11 2.41 0.00 -4.83 -2.45 -1.26 -5.15 119.30 102.91 1j3g s MET 186 Ca 0.69 1.50 0.00 0.00 -1.25 0.00 0.00 55.69 56.63 1j3g s MET 186 Cb -0.14 -1.89 0.00 0.00 1.25 0.00 0.00 34.83 34.04 1j3g s MET 186 CO 0.58 -1.58 0.00 2.41 1.05 0.00 0.00 175.02 177.48