#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 3.20 -0.14 -0.89 2.96 -1.26 -4.66 118.68 117.88 1j3g s LEU 2 Ca 0.00 -0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 52.98 1j3g s LEU 2 Cb 0.00 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 1j3g s LEU 2 CO 0.00 -0.42 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.82 1j3g s LEU 3 N -3.88 3.30 -0.12 -0.68 1.43 -1.26 -2.19 118.68 115.28 1j3g s LEU 3 Ca 0.40 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1j3g s LEU 3 Cb -0.00 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1j3g s LEU 3 CO 0.23 0.21 -0.17 -0.62 0.23 0.00 0.00 176.35 176.22 1j3g s ASP 4 N 0.13 2.64 -1.13 2.29 2.15 0.36 -4.68 116.67 118.44 1j3g s ASP 4 Ca -0.01 -0.48 -0.06 0.00 0.43 0.00 0.00 52.55 52.43 1j3g s ASP 4 Cb -0.14 -1.20 0.05 0.00 -0.30 0.00 0.00 42.92 41.34 1j3g s ASP 4 CO 0.03 0.03 0.32 -0.62 -0.17 0.00 0.00 175.17 174.76 1j3g n GLU 5 N 4.17 -3.01 -0.44 4.34 -0.58 -1.26 -0.45 120.64 123.41 1j3g n GLU 5 Ca -0.19 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1j3g n GLU 5 Cb 0.51 -5.12 0.00 0.00 -0.57 0.00 0.00 31.44 26.26 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 -1.02 1.91 3.97 0.62 0.00 -1.26 -5.03 105.19 104.38 1j3g n GLY 6 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1j3g n GLY 6 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j3g s TRP 7 N -3.37 2.30 -0.05 1.61 0.52 0.41 -4.78 118.94 115.58 1j3g s TRP 7 Ca 0.00 -0.55 -0.17 0.00 0.02 0.00 0.00 56.10 55.40 1j3g s TRP 7 Cb 0.00 -2.23 -0.05 0.00 -1.15 0.00 0.00 33.47 30.04 1j3g s TRP 7 CO 0.00 -0.53 0.45 -1.17 0.02 0.00 0.00 176.95 175.72 1j3g s LEU 8 N -4.36 4.38 0.78 2.99 0.20 -1.26 -0.48 118.68 120.92 1j3g s LEU 8 Ca 0.53 0.91 -0.11 0.00 0.69 0.00 0.00 54.13 56.14 1j3g s LEU 8 Cb -0.06 -2.66 0.06 0.00 -0.43 0.00 0.00 46.19 43.09 1j3g s LEU 8 CO 0.32 0.16 1.09 0.00 -0.29 0.00 0.00 176.35 177.62 1j3g s ALA 9 N -0.23 2.32 -1.21 5.97 0.00 -0.93 -4.26 121.76 123.42 1j3g s ALA 9 Ca 0.25 -0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.83 1j3g s ALA 9 Cb -0.16 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1j3g s ALA 9 CO 0.12 -1.63 0.53 0.39 0.00 0.00 0.00 175.76 175.17 1j3g n GLU 10 N -3.38 -0.36 -3.72 0.00 1.02 -1.26 -4.89 120.64 108.05 1j3g n GLU 10 Ca 0.07 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 1j3g n GLU 10 Cb 0.55 -2.44 -0.11 0.00 -0.02 0.00 0.00 31.44 29.42 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 -3.74 -0.97 -0.06 0.62 0.00 -1.26 -4.66 121.76 111.69 1j3g s ALA 11 Ca 0.39 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 1j3g s ALA 11 Cb -0.22 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1j3g s ALA 11 CO 0.93 -0.21 1.32 0.50 0.00 0.00 0.00 175.76 178.30 1j3g s ARG 12 N 0.67 4.28 -0.28 0.00 3.52 0.52 -4.88 118.95 122.78 1j3g s ARG 12 Ca -0.04 1.81 -0.18 0.00 -0.13 0.00 0.00 55.73 57.20 1j3g s ARG 12 Cb -0.05 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.67 1j3g s ARG 12 CO -0.04 -0.59 0.50 -0.98 -0.81 0.00 0.00 175.30 173.38 1j3g s ARG 13 N 2.75 3.97 -0.41 5.12 1.70 -1.26 -0.80 118.95 130.01 1j3g s ARG 13 Ca 0.60 0.19 0.07 0.00 -0.47 0.00 0.00 55.73 56.12 1j3g s ARG 13 Cb -0.27 -3.69 0.23 0.00 -0.57 0.00 0.00 34.95 30.66 1j3g s ARG 13 CO 0.22 -0.41 0.53 0.28 -1.08 0.00 0.00 175.30 174.84 1j3g n VAL 14 N 5.22 -0.72 -2.29 4.99 0.31 -0.05 -4.96 118.33 120.84 1j3g n VAL 14 Ca -0.05 -3.56 -0.42 0.00 -0.01 0.00 0.00 64.34 60.30 1j3g n VAL 14 Cb 0.50 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.92 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 -0.69 4.27 -0.37 5.55 0.04 -1.25 -4.02 135.00 138.53 1j3g s PRO 15 Ca 0.34 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 63.01 1j3g s PRO 15 Cb 0.15 -3.66 0.01 0.00 0.04 0.00 0.00 34.50 31.03 1j3g s PRO 15 CO -0.14 -0.61 0.79 0.45 0.04 0.00 0.00 177.00 177.53 1j3g s SER 16 N 2.00 6.55 -0.96 6.66 0.15 -1.26 -4.92 113.70 121.92 1j3g s SER 16 Ca 0.61 0.34 -0.08 0.00 0.70 0.00 0.00 55.95 57.52 1j3g s SER 16 Cb -0.28 -2.40 -0.15 0.00 -1.71 0.00 0.00 66.02 61.48 1j3g s SER 16 CO 0.23 -0.75 3.21 -0.81 1.20 0.00 0.00 173.24 176.33 1j3g n PRO 17 N 6.45 3.04 -2.73 5.44 -0.04 -1.26 -4.22 135.00 141.68 1j3g n PRO 17 Ca 0.03 -1.77 -0.05 0.00 -0.04 0.00 0.00 63.50 61.67 1j3g n PRO 17 Cb 0.48 -2.47 0.04 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.04 1.36 -1.40 0.54 -0.00 -1.26 -5.13 115.22 112.37 1j3g n HIS 18 Ca 0.64 -2.40 -0.30 0.00 0.46 0.00 0.00 57.72 56.12 1j3g n HIS 18 Cb 0.51 -0.28 0.22 0.00 -0.12 0.00 0.00 29.99 30.32 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 -3.55 0.81 0.48 1.57 1.51 -1.26 -4.26 117.35 112.65 1j3g s TYR 19 Ca 0.29 0.40 0.02 0.00 -1.01 0.00 0.00 57.07 56.77 1j3g s TYR 19 Cb 0.37 -3.73 -0.01 0.00 -0.11 0.00 0.00 41.96 38.49 1j3g s TYR 19 CO -0.01 -3.47 0.05 -0.51 -1.11 0.00 0.00 175.55 170.50 1j3g s ASP 20 N -4.30 3.70 -0.30 2.29 1.01 -1.26 -4.96 116.67 112.86 1j3g s ASP 20 Ca 0.73 -1.69 -0.12 0.00 0.71 0.00 0.00 52.55 52.17 1j3g s ASP 20 Cb -0.07 0.59 0.15 0.00 1.01 0.00 0.00 42.92 44.61 1j3g s ASP 20 CO 0.55 -0.92 0.82 0.00 0.21 0.00 0.00 175.17 175.83 1j3g s ARG 22 N 2.69 1.11 -1.14 0.00 3.00 -1.26 -5.07 118.95 118.28 1j3g s ARG 22 Ca -0.02 -1.35 -0.21 0.00 0.00 0.00 0.00 55.73 54.15 1j3g s ARG 22 Cb -0.09 -0.94 0.03 0.00 0.00 0.00 0.00 34.95 33.95 1j3g s ARG 22 CO -0.18 0.17 1.69 -1.25 0.00 0.00 0.00 175.30 175.73 1j3g s PRO 23 N -3.02 3.46 -0.15 3.54 0.04 -1.26 -4.84 135.00 132.78 1j3g s PRO 23 Ca 0.13 -1.37 -0.27 0.00 0.04 0.00 0.00 61.00 59.54 1j3g s PRO 23 Cb -0.03 -5.38 0.07 0.00 0.04 0.00 0.00 34.50 29.20 1j3g s PRO 23 CO 0.04 -2.63 0.67 -0.51 0.04 0.00 0.00 177.00 174.60 1j3g s ASP 24 N 5.28 -0.67 -0.26 6.66 1.01 -1.26 -5.05 116.67 122.39 1j3g s ASP 24 Ca 0.55 1.01 -0.03 0.00 0.71 0.00 0.00 52.55 54.79 1j3g s ASP 24 Cb 0.01 0.94 0.09 0.00 1.01 0.00 0.00 42.92 44.96 1j3g s ASP 24 CO 0.01 -0.43 0.10 -1.81 0.21 0.00 0.00 175.17 173.26 1j3g s ASP 25 N -0.46 3.30 0.06 0.27 1.01 -1.26 -5.11 116.67 114.48 1j3g s ASP 25 Ca -0.06 -1.15 0.02 0.00 0.71 0.00 0.00 52.55 52.07 1j3g s ASP 25 Cb -0.03 -0.47 -0.03 0.00 1.01 0.00 0.00 42.92 43.40 1j3g s ASP 25 CO 0.05 -0.40 -0.07 -0.70 0.21 0.00 0.00 175.17 174.27 1j3g s GLU 26 N 1.97 0.60 -0.05 8.23 2.12 -1.26 -5.12 118.70 125.19 1j3g s GLU 26 Ca 0.06 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 1j3g s GLU 26 Cb -0.16 -0.24 -0.04 0.00 0.26 0.00 0.00 34.13 33.94 1j3g s GLU 26 CO -0.24 0.02 1.37 1.21 -0.54 0.00 0.00 175.26 177.08 1j3g s ASN 27 N -1.99 6.88 -0.52 -1.70 2.47 -1.26 -4.95 114.94 113.87 1j3g s ASN 27 Ca -0.04 1.99 -0.28 0.00 0.42 0.00 0.00 52.86 54.95 1j3g s ASN 27 Cb -0.06 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.20 1j3g s ASN 27 CO -0.01 -0.73 1.44 -2.16 -3.72 0.00 0.00 177.10 171.92 1j3g s PRO 28 N 2.82 3.34 -0.46 0.43 0.04 -1.26 -4.83 135.00 135.06 1j3g s PRO 28 Ca 0.62 0.60 0.04 0.00 0.04 0.00 0.00 61.00 62.29 1j3g s PRO 28 Cb -0.28 -4.11 0.22 0.00 0.04 0.00 0.00 34.50 30.36 1j3g s PRO 28 CO 0.24 -1.88 0.88 0.45 0.04 0.00 0.00 177.00 176.73 1j3g n SER 29 N 9.56 -2.78 -3.69 6.66 2.88 -1.26 -4.46 113.62 120.54 1j3g n SER 29 Ca 0.14 -2.59 -0.13 0.00 -1.33 0.00 0.00 58.87 54.96 1j3g n SER 29 Cb 0.49 1.51 -0.13 0.00 -0.75 0.00 0.00 64.21 65.33 1j3g n SER 29 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1j3g s LEU 30 N 0.37 -0.01 -0.17 2.46 1.98 -1.26 -4.03 118.68 118.02 1j3g s LEU 30 Ca 0.29 0.54 -0.17 0.00 -2.89 0.00 0.00 54.13 51.91 1j3g s LEU 30 Cb 0.10 0.67 -0.04 0.00 0.66 0.00 0.00 46.19 47.58 1j3g s LEU 30 CO -0.12 -0.21 0.42 -0.22 -1.89 0.00 0.00 176.35 174.33 1j3g s LEU 31 N 1.98 4.21 -0.08 -0.68 2.96 -0.84 -3.40 118.68 122.82 1j3g s LEU 31 Ca -0.03 0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1j3g s LEU 31 Cb -0.11 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 1j3g s LEU 31 CO -0.08 -0.03 0.01 -0.69 -1.32 0.00 0.00 176.35 174.24 1j3g s VAL 32 N 0.96 4.39 -0.14 1.68 1.01 -1.22 -1.43 120.40 125.65 1j3g s VAL 32 Ca 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1j3g s VAL 32 Cb -0.15 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1j3g s VAL 32 CO 0.08 0.58 0.03 -0.69 0.00 0.00 0.00 175.10 175.10 1j3g s VAL 33 N -0.92 0.36 -0.28 2.92 1.01 0.03 -4.06 120.40 119.46 1j3g s VAL 33 Ca 0.14 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 1j3g s VAL 33 Cb -0.11 -0.76 0.10 0.00 0.00 0.00 0.00 36.38 35.61 1j3g s VAL 33 CO 0.03 -0.04 0.79 -1.38 0.00 0.00 0.00 175.10 174.50 1j3g s HIS 34 N 1.95 -0.90 -0.32 5.22 -3.43 -1.26 -4.35 115.29 112.20 1j3g s HIS 34 Ca 0.02 1.80 -0.29 0.00 -0.80 0.00 0.00 55.06 55.79 1j3g s HIS 34 Cb -0.15 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.53 1j3g s HIS 34 CO -0.07 -0.45 1.50 1.21 -2.00 0.00 0.00 174.74 174.93 1j3g s ASN 35 N 1.56 6.36 0.43 7.38 3.04 -1.25 -4.03 114.94 128.42 1j3g s ASN 35 Ca -0.10 1.20 0.03 0.00 0.04 0.00 0.00 52.86 54.04 1j3g s ASN 35 Cb -0.05 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 37.10 1j3g s ASN 35 CO -0.18 -1.34 0.08 -0.63 -3.04 0.00 0.00 177.10 171.99 1j3g s ILE 36 N 5.34 0.88 -0.30 -5.21 -1.09 -1.18 -4.89 121.20 114.76 1j3g s ILE 36 Ca 0.66 -2.00 -0.11 0.00 -2.23 0.00 0.00 60.65 56.96 1j3g s ILE 36 Cb -0.19 -2.38 0.12 0.00 -1.58 0.00 0.00 42.46 38.43 1j3g s ILE 36 CO 0.30 0.00 0.68 -0.55 -1.23 0.00 0.00 174.94 174.14 1j3g s SER 37 N -3.67 -1.08 0.24 3.58 0.15 -1.26 -2.36 113.70 109.31 1j3g s SER 37 Ca 0.21 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.38 1j3g s SER 37 Cb 0.03 2.10 0.00 0.00 -1.71 0.00 0.00 66.02 66.45 1j3g s SER 37 CO 0.12 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.23 1j3g n LEU 38 N 5.21 -0.52 -4.78 3.45 -0.00 -1.26 -5.08 117.00 114.02 1j3g n LEU 38 Ca -0.13 0.42 -0.37 0.00 -0.00 0.00 0.00 56.01 55.92 1j3g n LEU 38 Cb 0.51 0.66 -0.05 0.00 -0.00 0.00 0.00 43.42 44.54 1j3g n LEU 38 CO -0.04 -0.62 0.73 -2.84 -0.00 0.00 0.00 177.39 174.62 1j3g s PRO 39 N -2.00 4.37 -0.00 1.96 0.02 -1.26 -4.88 135.00 133.21 1j3g s PRO 39 Ca 0.00 1.53 -0.02 0.00 0.02 0.00 0.00 61.00 62.53 1j3g s PRO 39 Cb 0.00 -2.75 -0.11 0.00 0.02 0.00 0.00 34.50 31.66 1j3g s PRO 39 CO 0.00 0.04 2.67 -0.35 -0.33 0.00 0.00 177.00 179.02 1j3g n PRO 40 N 0.36 1.42 0.00 5.54 -0.04 -1.26 -4.65 135.00 136.37 1j3g n PRO 40 Ca 0.03 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1j3g n PRO 40 Cb 0.49 -1.41 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 1.90 -2.95 3.46 0.55 0.00 -1.26 -4.78 105.19 102.11 1j3g n GLY 41 Ca 0.18 0.39 -0.06 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.76 0.49 -0.04 1.61 2.02 -1.26 -5.16 118.70 113.59 1j3g s GLU 42 Ca 0.00 1.19 -0.31 0.00 0.02 0.00 0.00 54.97 55.87 1j3g s GLU 42 Cb 0.00 0.45 0.13 0.00 0.10 0.00 0.00 34.13 34.81 1j3g s GLU 42 CO 0.00 -0.20 1.34 -0.06 0.02 0.00 0.00 175.26 176.35 1j3g s PHE 43 N 2.40 -0.02 -0.20 1.61 0.08 -1.26 -5.07 117.98 115.52 1j3g s PHE 43 Ca -0.06 -0.05 0.13 0.00 0.12 0.00 0.00 56.93 57.07 1j3g s PHE 43 Cb -0.10 0.53 0.40 0.00 -0.57 0.00 0.00 43.02 43.28 1j3g s PHE 43 CO -0.16 -0.19 1.23 0.41 -0.10 0.00 0.00 175.22 176.41 1j3g n GLY 44 N -0.54 5.03 3.61 4.36 0.00 -1.26 -5.01 105.19 111.39 1j3g n GLY 44 Ca -0.08 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -3.05 1.80 0.34 -0.02 0.00 -1.26 -4.96 107.32 100.17 1j3g s GLY 45 Ca 0.37 -0.57 0.26 0.00 0.00 0.00 0.00 44.72 44.78 1j3g s GLY 45 CO -0.04 1.43 1.78 -0.56 0.00 0.00 0.00 173.10 175.72 1j3g h PRO 46 N 8.07 0.00 -0.62 2.90 0.13 -2.01 -3.12 132.00 137.35 1j3g h PRO 46 Ca -0.27 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.99 1j3g h PRO 46 Cb 1.12 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.15 1j3g h PRO 46 CO 0.78 0.00 0.03 -1.49 -0.23 0.00 0.00 178.00 177.09 1j3g h TRP 47 N 0.00 0.01 -0.30 1.56 4.06 -1.97 0.13 115.95 119.44 1j3g h TRP 47 Ca 0.00 0.04 -0.05 0.00 2.06 0.00 0.00 58.89 60.94 1j3g h TRP 47 Cb 0.26 0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1j3g h TRP 47 CO 0.00 -0.14 -0.01 0.82 -3.56 0.00 0.00 178.44 175.55 1j3g h ILE 48 N 0.14 1.26 -0.46 1.49 1.08 -1.88 0.12 117.51 119.27 1j3g h ILE 48 Ca 0.32 -0.96 -0.04 0.00 -0.39 0.00 0.00 64.86 63.80 1j3g h ILE 48 Cb 0.52 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 1j3g h ILE 48 CO -0.51 0.31 0.15 -0.78 -0.69 0.00 0.00 178.15 176.63 1j3g h ASP 49 N 0.32 0.66 -0.69 1.72 1.82 -1.63 -1.75 116.42 116.87 1j3g h ASP 49 Ca 0.08 -0.20 0.08 0.00 -0.39 0.00 0.00 57.03 56.60 1j3g h ASP 49 Cb 0.45 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.24 1j3g h ASP 49 CO 0.02 0.69 0.46 0.00 -1.61 0.00 0.00 179.24 178.79 1j3g h ALA 50 N 1.00 1.79 0.38 -0.78 0.00 -0.58 0.14 119.26 121.22 1j3g h ALA 50 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1j3g h ALA 50 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j3g h ALA 50 CO -0.01 0.09 -0.18 1.25 0.00 0.00 0.00 179.25 180.40 1j3g h LEU 51 N 0.66 -0.44 -0.35 0.00 5.85 -0.21 0.14 115.31 120.97 1j3g h LEU 51 Ca 0.31 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1j3g h LEU 51 Cb 0.35 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1j3g h LEU 51 CO -0.10 -0.10 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.50 1j3g h PHE 52 N -0.81 0.81 -0.24 1.25 -1.00 -0.79 -2.86 116.94 113.29 1j3g h PHE 52 Ca -0.05 -0.19 -0.07 0.00 2.81 0.00 0.00 57.97 60.46 1j3g h PHE 52 Cb 0.53 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1j3g h PHE 52 CO 0.01 0.90 -0.17 0.00 -1.61 0.00 0.00 178.31 177.44 1j3g h THR 53 N 0.49 1.23 0.00 -1.55 1.03 -0.85 -3.48 112.91 109.79 1j3g h THR 53 Ca 0.08 -1.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.43 1j3g h THR 53 Cb 0.67 1.23 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 1j3g h THR 53 CO 0.05 0.33 0.00 0.61 -0.01 0.00 0.00 175.52 176.50 1j3g n GLY 54 N -0.61 0.73 0.61 2.99 0.00 -0.35 -5.00 105.19 103.56 1j3g n GLY 54 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1j3g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3g n THR 55 N -1.04 0.44 -1.59 2.61 -2.24 0.35 -4.92 114.28 107.88 1j3g n THR 55 Ca 0.00 -0.44 -0.53 0.00 -2.27 0.00 0.00 64.05 60.81 1j3g n THR 55 Cb 0.00 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.46 0.01 -3.61 2.28 3.06 -0.31 -4.94 119.36 116.32 1j3g n ILE 56 Ca 0.11 -0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.99 1j3g n ILE 56 Cb 0.28 -0.79 -0.09 0.00 0.54 0.00 0.00 39.64 39.58 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 0.59 6.20 -1.02 9.51 2.15 -1.26 -4.95 116.67 127.90 1j3g s ASP 57 Ca 0.85 0.21 -0.22 0.00 0.43 0.00 0.00 52.55 53.82 1j3g s ASP 57 Cb -0.98 -2.13 -0.11 0.00 -0.30 0.00 0.00 42.92 39.39 1j3g s ASP 57 CO 0.48 0.04 1.92 -0.81 -0.17 0.00 0.00 175.17 176.64 1j3g n PRO 58 N 4.26 1.61 -0.04 4.34 -0.04 -1.26 -4.60 135.00 139.27 1j3g n PRO 58 Ca -0.14 -2.24 -0.04 0.00 -0.04 0.00 0.00 63.50 61.04 1j3g n PRO 58 Cb 0.52 -3.39 -0.01 0.00 -0.04 0.00 0.00 33.50 30.58 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 11.34 1.03 0.04 3.54 2.85 -1.26 -4.73 115.26 128.07 1j3g n ASN 59 Ca 0.47 0.17 -0.11 0.00 -0.11 0.00 0.00 54.58 55.00 1j3g n ASN 59 Cb 0.44 -0.56 -0.04 0.00 1.24 0.00 0.00 39.78 40.86 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3g h ALA 60 N -1.16 -0.14 -2.88 5.20 0.00 -2.05 -3.46 119.26 114.76 1j3g h ALA 60 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1j3g h ALA 60 Cb 0.47 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1j3g h ALA 60 CO 0.00 -0.62 0.34 -3.38 0.00 0.00 0.00 179.25 175.59 1j3g s HIS 61 N -6.14 0.08 0.03 0.00 -3.43 -1.26 -5.09 115.29 99.48 1j3g s HIS 61 Ca -0.14 -0.67 -0.18 0.00 -0.80 0.00 0.00 55.06 53.26 1j3g s HIS 61 Cb 0.09 0.80 -0.20 0.00 -1.43 0.00 0.00 32.58 31.84 1j3g s HIS 61 CO 0.67 -1.39 1.19 -1.00 -2.00 0.00 0.00 174.74 172.20 1j3g h PRO 62 N 2.00 0.51 -0.85 -0.38 0.13 -1.90 -3.35 132.00 128.15 1j3g h PRO 62 Ca -0.30 -0.46 0.20 0.00 -0.87 0.00 0.00 66.00 64.57 1j3g h PRO 62 Cb 1.24 0.11 -0.12 0.00 0.13 0.00 0.00 31.00 32.36 1j3g h PRO 62 CO 0.38 1.09 0.32 -0.92 -0.23 0.00 0.00 178.00 178.65 1j3g h TYR 63 N 0.08 0.53 0.38 1.56 5.03 -1.98 0.11 116.97 122.67 1j3g h TYR 63 Ca -0.05 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1j3g h TYR 63 Cb 1.24 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.41 1j3g h TYR 63 CO 0.12 -0.05 -0.29 0.35 -1.32 0.00 0.00 178.16 176.97 1j3g h PHE 64 N 0.37 -0.78 -0.43 -3.82 3.04 -1.98 -0.18 116.94 113.14 1j3g h PHE 64 Ca 0.51 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.40 1j3g h PHE 64 Cb 0.94 0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.72 1j3g h PHE 64 CO -0.18 -0.44 0.04 0.00 -2.02 0.00 0.00 178.31 175.72 1j3g h ALA 65 N -0.14 0.58 -0.47 2.41 0.00 -1.70 -3.25 119.26 116.69 1j3g h ALA 65 Ca -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1j3g h ALA 65 Cb 0.58 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1j3g h ALA 65 CO -0.01 0.33 -0.43 0.78 0.00 0.00 0.00 179.25 179.92 1j3g h GLY 66 N 0.58 -1.28 1.12 0.00 0.00 -0.35 -2.71 103.07 100.42 1j3g h GLY 66 Ca 0.13 0.81 0.06 0.00 0.00 0.00 0.00 47.33 48.32 1j3g h GLY 66 CO 0.01 -0.26 0.44 0.16 0.00 0.00 0.00 176.54 176.89 1j3g h ILE 67 N -0.19 1.01 -0.97 2.60 3.07 -1.09 -3.20 117.51 118.74 1j3g h ILE 67 Ca 0.08 -0.23 0.32 0.00 1.55 0.00 0.00 64.86 66.58 1j3g h ILE 67 Cb 0.39 0.28 -0.17 0.00 -0.27 0.00 0.00 36.82 37.06 1j3g h ILE 67 CO -0.54 0.12 0.32 0.00 -1.05 0.00 0.00 178.15 177.00 1j3g h ALA 68 N 1.64 1.63 -0.73 0.16 0.00 -1.51 0.19 119.26 120.63 1j3g h ALA 68 Ca 0.28 0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.54 1j3g h ALA 68 Cb 0.26 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1j3g h ALA 68 CO -0.09 -0.67 0.48 0.45 0.00 0.00 0.00 179.25 179.42 1j3g h HIS 69 N 0.10 0.76 -3.40 0.00 3.86 -1.71 -3.39 115.15 111.36 1j3g h HIS 69 Ca 0.69 0.02 -0.55 0.00 -1.16 0.00 0.00 60.37 59.37 1j3g h HIS 69 Cb 1.60 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 29.78 1j3g h HIS 69 CO -0.22 0.39 0.10 -0.51 0.86 0.00 0.00 177.93 178.56 1j3g s LEU 70 N -9.70 4.49 0.80 2.43 1.02 0.65 -5.05 118.68 113.33 1j3g s LEU 70 Ca -0.10 1.41 -0.14 0.00 0.02 0.00 0.00 54.13 55.33 1j3g s LEU 70 Cb 0.20 -3.14 0.04 0.00 0.02 0.00 0.00 46.19 43.31 1j3g s LEU 70 CO 0.77 0.12 0.91 -2.11 0.02 0.00 0.00 176.35 176.06 1j3g n ARG 71 N 2.33 0.16 -4.35 1.70 0.00 -1.26 -4.93 116.66 110.31 1j3g n ARG 71 Ca -0.05 0.12 -0.26 0.00 -0.00 0.00 0.00 57.85 57.66 1j3g n ARG 71 Cb 0.50 -2.20 -0.10 0.00 -0.00 0.00 0.00 32.46 30.67 1j3g n ARG 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1j3g s VAL 72 N -2.09 2.91 -0.30 8.89 -7.23 -1.26 -4.98 120.40 116.33 1j3g s VAL 72 Ca 0.69 -1.90 -0.18 0.00 -1.81 0.00 0.00 61.98 58.79 1j3g s VAL 72 Cb -0.30 -2.46 0.18 0.00 0.56 0.00 0.00 36.38 34.37 1j3g s VAL 72 CO 0.55 -0.19 1.22 -0.44 -0.31 0.00 0.00 175.10 175.93 1j3g s SER 73 N -3.00 -0.14 0.46 4.85 0.01 -1.24 -4.68 113.70 109.96 1j3g s SER 73 Ca 0.25 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.67 1j3g s SER 73 Cb -0.08 1.14 0.07 0.00 0.21 0.00 0.00 66.02 67.36 1j3g s SER 73 CO 0.14 -0.03 0.51 0.00 0.41 0.00 0.00 173.24 174.27 1j3g n ALA 74 N 5.13 0.38 -0.69 1.44 0.00 -1.26 -0.97 120.51 124.54 1j3g n ALA 74 Ca -0.08 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1j3g n ALA 74 Cb 0.55 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 -1.97 0.00 -3.91 0.00 8.25 -1.26 -4.28 115.22 112.05 1j3g n HIS 75 Ca 0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.20 1j3g n HIS 75 Cb 0.33 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.30 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 4.63 -0.33 0.00 2.96 -0.03 -0.50 118.68 126.85 1j3g s LEU 77 Ca 0.04 -0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 53.24 1j3g s LEU 77 Cb -0.15 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1j3g s LEU 77 CO -0.03 -0.30 0.14 -0.63 -1.32 0.00 0.00 176.35 174.21 1j3g s ILE 78 N 1.67 4.34 0.47 6.68 1.01 -0.30 -0.65 121.20 134.42 1j3g s ILE 78 Ca 0.05 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 1j3g s ILE 78 Cb -0.18 -3.31 -0.08 0.00 0.01 0.00 0.00 42.46 38.90 1j3g s ILE 78 CO 0.09 -0.05 0.92 -0.60 0.00 0.00 0.00 174.94 175.31 1j3g s ARG 79 N 1.54 3.95 0.23 2.79 3.52 -0.17 -0.32 118.95 130.49 1j3g s ARG 79 Ca 0.03 0.86 0.10 0.00 -0.13 0.00 0.00 55.73 56.58 1j3g s ARG 79 Cb -0.18 -2.21 0.54 0.00 -1.56 0.00 0.00 34.95 31.54 1j3g s ARG 79 CO 0.05 -0.17 1.19 2.89 -0.81 0.00 0.00 175.30 178.44 1j3g n ARG 80 N -1.35 0.07 -0.48 5.12 1.85 -0.03 -1.34 116.66 120.50 1j3g n ARG 80 Ca 0.06 0.50 0.05 0.00 -1.00 0.00 0.00 57.85 57.45 1j3g n ARG 80 Cb 0.54 -1.97 0.23 0.00 -1.05 0.00 0.00 32.46 30.21 1j3g n ARG 80 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1j3g n ASP 81 N -1.86 3.54 -3.33 2.89 2.03 -1.26 -3.55 116.55 115.02 1j3g n ASP 81 Ca -0.01 -2.46 -0.19 0.00 0.52 0.00 0.00 54.79 52.66 1j3g n ASP 81 Cb 0.26 -0.56 0.08 0.00 -0.72 0.00 0.00 41.12 40.19 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 0.51 -0.37 3.54 0.27 0.00 -0.45 -4.99 105.19 103.68 1j3g n GLY 82 Ca 0.16 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.72 2.39 -0.25 1.61 0.41 -1.18 -4.86 118.70 111.10 1j3g s GLU 83 Ca 0.26 -0.80 -0.01 0.00 -0.41 0.00 0.00 54.97 54.01 1j3g s GLU 83 Cb -0.11 -2.39 0.03 0.00 -1.78 0.00 0.00 34.13 29.88 1j3g s GLU 83 CO 0.68 0.59 -0.07 0.42 -0.49 0.00 0.00 175.26 176.39 1j3g s ILE 84 N -0.94 2.77 -0.02 -1.63 1.01 -1.26 -1.00 121.20 120.13 1j3g s ILE 84 Ca 0.16 -1.13 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1j3g s ILE 84 Cb -0.11 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1j3g s ILE 84 CO 0.06 0.16 -0.08 -0.69 0.00 0.00 0.00 174.94 174.39 1j3g s VAL 85 N 1.29 3.58 -0.19 2.92 1.01 0.17 -0.36 120.40 128.82 1j3g s VAL 85 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1j3g s VAL 85 Cb -0.17 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.74 1j3g s VAL 85 CO -0.05 0.46 -0.08 -1.58 0.00 0.00 0.00 175.10 173.86 1j3g s GLN 86 N -1.19 1.77 0.05 2.72 2.00 0.02 -0.85 119.66 124.17 1j3g s GLN 86 Ca 0.15 -0.73 0.04 0.00 -2.00 0.00 0.00 55.36 52.82 1j3g s GLN 86 Cb -0.11 -2.28 -0.04 0.00 0.80 0.00 0.00 33.01 31.38 1j3g s GLN 86 CO 0.05 -0.44 -0.04 0.71 -0.50 0.00 0.00 175.29 175.07 1j3g s TYR 87 N 1.49 2.93 -0.24 1.67 1.51 0.08 -0.87 117.35 123.90 1j3g s TYR 87 Ca -0.01 -0.04 -0.02 0.00 -1.01 0.00 0.00 57.07 56.00 1j3g s TYR 87 Cb -0.16 -1.57 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1j3g s TYR 87 CO -0.08 0.43 0.04 0.28 -1.11 0.00 0.00 175.55 175.11 1j3g n VAL 88 N 1.07-10.73 -0.24 0.71 0.31 -1.26 -4.23 118.33 103.95 1j3g n VAL 88 Ca -0.13 1.73 -0.13 0.00 -0.01 0.00 0.00 64.34 65.79 1j3g n VAL 88 Cb 0.52 -6.43 0.12 0.00 -0.91 0.00 0.00 33.84 27.14 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 0.75 -2.98 -0.64 5.55 -0.04 -1.26 -4.81 135.00 131.57 1j3g n PRO 89 Ca -0.07 -0.66 -0.08 0.00 -0.04 0.00 0.00 63.50 62.65 1j3g n PRO 89 Cb 0.10 -0.80 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 1j3g n PRO 89 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j3g n PHE 90 N -4.09 0.00 -3.63 0.54 3.01 -1.26 -4.63 117.46 107.40 1j3g n PHE 90 Ca 0.06 -0.96 -0.11 0.00 1.01 0.00 0.00 57.45 57.45 1j3g n PHE 90 Cb 0.26 -1.17 -0.07 0.00 -0.01 0.00 0.00 39.48 38.49 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1j3g s ASP 91 N 2.35 -0.78 -0.41 4.37 -1.08 -1.26 -5.03 116.67 114.83 1j3g s ASP 91 Ca 0.43 1.39 -0.20 0.00 -0.52 0.00 0.00 52.55 53.66 1j3g s ASP 91 Cb 0.20 1.38 0.03 0.00 -1.46 0.00 0.00 42.92 43.07 1j3g s ASP 91 CO 0.00 -0.23 0.54 1.17 0.52 0.00 0.00 175.17 177.17 1j3g n LYS 92 N 3.25 -2.32 -1.20 4.34 4.81 -1.26 -4.92 118.16 120.86 1j3g n LYS 92 Ca -0.16 1.98 -0.38 0.00 -0.87 0.00 0.00 58.31 58.88 1j3g n LYS 92 Cb 0.57 -4.67 0.02 0.00 0.02 0.00 0.00 35.03 30.97 1j3g n LYS 92 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1j3g n ARG 93 N -0.13 0.04 -2.88 1.64 3.00 -1.26 -4.73 116.66 112.33 1j3g n ARG 93 Ca 0.06 0.02 -0.18 0.00 -0.00 0.00 0.00 57.85 57.75 1j3g n ARG 93 Cb 0.47 -1.08 0.04 0.00 0.00 0.00 0.00 32.46 31.90 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j3g n ALA 94 N -1.79 0.94 -3.62 5.13 0.00 -1.26 -4.00 120.51 115.91 1j3g n ALA 94 Ca 0.06 -1.78 -0.11 0.00 0.00 0.00 0.00 53.44 51.62 1j3g n ALA 94 Cb 0.49 0.56 -0.11 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.08 -0.65 -0.46 0.00 -0.00 -0.15 -4.63 118.94 110.98 1j3g s TRP 95 Ca 0.44 1.19 0.06 0.00 -0.00 0.00 0.00 56.10 57.79 1j3g s TRP 95 Cb -0.03 0.12 0.30 0.00 -0.00 0.00 0.00 33.47 33.86 1j3g s TRP 95 CO 0.28 -0.47 1.07 -2.39 -0.00 0.00 0.00 176.95 175.44 1j3g n HIS 96 N 5.37 -2.87 0.01 5.86 1.44 -1.26 -3.71 115.22 120.06 1j3g n HIS 96 Ca -0.07 -1.96 0.00 0.00 -2.01 0.00 0.00 57.72 53.69 1j3g n HIS 96 Cb 0.50 1.60 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 0.72 0.00 0.00 1.59 0.00 -1.26 -4.95 120.51 116.61 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 -1.49 1.87 3.02 0.00 0.00 -1.26 -5.02 105.19 102.31 1j3g n GLY 98 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 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 0.65 0.21 1.61 1.01 -1.26 -3.52 120.40 119.10 1j3g s VAL 99 Ca 0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1j3g s VAL 99 Cb 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.83 1j3g s VAL 99 CO 0.00 0.07 0.55 -0.94 0.00 0.00 0.00 175.10 174.77 1j3g s SER 100 N -0.50 -0.25 -0.28 3.32 1.04 -1.14 -4.84 113.70 111.05 1j3g s SER 100 Ca 0.01 -0.53 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 1j3g s SER 100 Cb -0.05 0.60 0.10 0.00 0.10 0.00 0.00 66.02 66.77 1j3g s SER 100 CO 0.00 -1.10 0.67 -0.94 0.98 0.00 0.00 173.24 172.85 1j3g s SER 101 N -2.89 -1.00 -0.01 7.02 1.04 -1.26 -0.46 113.70 116.15 1j3g s SER 101 Ca 0.11 1.53 -0.17 0.00 0.48 0.00 0.00 55.95 57.89 1j3g s SER 101 Cb -0.02 1.66 0.03 0.00 0.10 0.00 0.00 66.02 67.80 1j3g s SER 101 CO -0.01 -0.23 0.37 -0.47 0.98 0.00 0.00 173.24 173.89 1j3g s TYR 102 N 2.03 -0.25 -0.95 5.02 5.04 -0.83 -4.33 117.35 123.08 1j3g s TYR 102 Ca -0.09 0.35 -0.11 0.00 -2.44 0.00 0.00 57.07 54.78 1j3g s TYR 102 Cb -0.07 0.16 0.01 0.00 0.35 0.00 0.00 41.96 42.41 1j3g s TYR 102 CO -0.20 -0.46 0.64 1.04 -1.34 0.00 0.00 175.55 175.24 1j3g n GLN 103 N 1.05 -1.16 -2.40 4.97 6.02 -1.26 -2.56 117.38 122.03 1j3g n GLN 103 Ca -0.21 0.60 -0.08 0.00 -0.01 0.00 0.00 57.00 57.30 1j3g n GLN 103 Cb 0.57 -2.65 -0.01 0.00 1.02 0.00 0.00 30.24 29.17 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 -1.78 -0.44 2.68 1.08 0.00 -1.26 -4.92 105.19 100.54 1j3g n GLY 104 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.91 0.26 0.34 1.61 3.52 -1.06 -5.14 118.95 113.58 1j3g s ARG 105 Ca 0.00 -0.03 -0.23 0.00 -0.13 0.00 0.00 55.73 55.34 1j3g s ARG 105 Cb 0.00 -1.47 -0.10 0.00 -1.56 0.00 0.00 34.95 31.82 1j3g s ARG 105 CO 0.00 -0.53 0.91 -2.00 -0.81 0.00 0.00 175.30 172.87 1j3g s GLU 106 N 2.05 4.41 -0.13 5.12 2.12 -1.26 -1.97 118.70 129.04 1j3g s GLU 106 Ca 0.02 1.18 -0.01 0.00 0.36 0.00 0.00 54.97 56.53 1j3g s GLU 106 Cb -0.15 -2.60 0.03 0.00 0.26 0.00 0.00 34.13 31.67 1j3g s GLU 106 CO -0.07 0.19 -0.06 1.03 -0.54 0.00 0.00 175.26 175.81 1j3g s ARG 107 N -2.43 1.46 0.45 4.30 0.52 0.40 -4.95 118.95 118.70 1j3g s ARG 107 Ca 0.53 -0.34 0.24 0.00 -0.52 0.00 0.00 55.73 55.64 1j3g s ARG 107 Cb -0.15 -1.73 1.01 0.00 0.52 0.00 0.00 34.95 34.60 1j3g s ARG 107 CO 0.20 -0.33 1.87 0.00 0.02 0.00 0.00 175.30 177.06 1j3g s ASN 109 N -6.22 0.37 -1.23 0.00 0.02 -1.23 -4.52 114.94 102.12 1j3g s ASN 109 Ca -0.00 -1.22 -0.12 0.00 -1.02 0.00 0.00 52.86 50.50 1j3g s ASN 109 Cb 0.11 0.71 0.18 0.00 0.02 0.00 0.00 41.25 42.26 1j3g s ASN 109 CO 0.63 -1.38 1.58 -0.67 0.02 0.00 0.00 177.10 177.28 1j3g n ASP 110 N -1.14 5.22 -1.88 -1.22 -0.08 -1.26 -4.82 116.55 111.37 1j3g n ASP 110 Ca -0.03 -3.04 -0.18 0.00 -1.51 0.00 0.00 54.79 50.04 1j3g n ASP 110 Cb 0.61 -1.53 0.09 0.00 2.34 0.00 0.00 41.12 42.64 1j3g n ASP 110 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1j3g n PHE 111 N 4.82 2.02 -4.35 -0.67 1.16 -1.26 -4.33 117.46 114.83 1j3g n PHE 111 Ca 0.37 -1.71 -0.22 0.00 -1.87 0.00 0.00 57.45 54.03 1j3g n PHE 111 Cb 0.40 -0.85 -0.11 0.00 -1.61 0.00 0.00 39.48 37.31 1j3g n PHE 111 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1j3g s SER 112 N -0.47 2.79 -0.98 5.98 0.01 -1.26 -4.44 113.70 115.33 1j3g s SER 112 Ca 0.39 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.71 1j3g s SER 112 Cb 0.32 -0.17 0.25 0.00 0.21 0.00 0.00 66.02 66.63 1j3g s SER 112 CO 0.04 -0.04 2.10 0.00 0.41 0.00 0.00 173.24 175.75 1j3g n ILE 113 N 0.08 5.03 0.00 1.44 0.00 -1.26 -4.85 119.36 119.79 1j3g n ILE 113 Ca -0.11 -4.89 0.00 0.00 0.00 0.00 0.00 62.75 57.74 1j3g n ILE 113 Cb 0.58 -1.59 0.00 0.00 0.00 0.00 0.00 39.64 38.63 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 0.31 0.95 3.15 4.50 0.00 -1.22 -4.86 105.19 108.02 1j3g n GLY 114 Ca 0.52 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 0.53 0.11 -0.11 -0.61 -1.09 -1.26 -4.35 121.20 114.42 1j3g s ILE 115 Ca 0.00 -1.90 -0.04 0.00 -2.23 0.00 0.00 60.65 56.48 1j3g s ILE 115 Cb 0.00 -2.03 0.05 0.00 -1.58 0.00 0.00 42.46 38.91 1j3g s ILE 115 CO 0.00 -0.48 0.23 -0.70 -1.23 0.00 0.00 174.94 172.76 1j3g s GLU 116 N -4.04 0.14 -0.21 2.79 -6.30 0.34 -3.39 118.70 108.03 1j3g s GLU 116 Ca 0.24 0.61 -0.09 0.00 -2.50 0.00 0.00 54.97 53.23 1j3g s GLU 116 Cb 0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 34.13 34.04 1j3g s GLU 116 CO 0.01 -0.24 0.11 -0.51 0.02 0.00 0.00 175.26 174.65 1j3g s LEU 117 N 1.93 4.00 -0.06 2.70 1.02 -1.26 -1.16 118.68 125.87 1j3g s LEU 117 Ca -0.03 0.12 -0.03 0.00 0.02 0.00 0.00 54.13 54.22 1j3g s LEU 117 Cb -0.11 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 1j3g s LEU 117 CO -0.08 0.13 0.09 -0.70 0.02 0.00 0.00 176.35 175.82 1j3g s GLU 118 N 0.62 3.18 0.37 1.70 2.12 0.56 -3.09 118.70 124.17 1j3g s GLU 118 Ca 0.06 -0.35 -0.12 0.00 0.36 0.00 0.00 54.97 54.92 1j3g s GLU 118 Cb -0.12 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.35 1j3g s GLU 118 CO 0.01 0.70 0.70 0.20 -0.54 0.00 0.00 175.26 176.32 1j3g s GLY 119 N -1.36 0.71 -0.28 -1.50 0.00 -0.99 -0.85 107.32 103.04 1j3g s GLY 119 Ca 0.19 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.93 1j3g s GLY 119 CO 0.09 -0.52 0.32 -0.51 0.00 0.00 0.00 173.10 172.48 1j3g s THR 120 N -2.55 -0.46 -1.25 0.90 -4.23 -1.26 -4.65 115.64 102.14 1j3g s THR 120 Ca 0.20 -0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 60.24 1j3g s THR 120 Cb -0.04 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.85 1j3g s THR 120 CO 0.14 -0.38 0.68 -0.67 -0.54 0.00 0.00 174.62 173.85 1j3g n ASP 121 N 5.32 -2.94 -3.84 3.99 2.03 -1.26 -2.62 116.55 117.23 1j3g n ASP 121 Ca -0.02 -0.94 -0.30 0.00 0.52 0.00 0.00 54.79 54.05 1j3g n ASP 121 Cb 0.47 -3.63 -0.00 0.00 -0.72 0.00 0.00 41.12 37.24 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 -4.20 -1.31 -2.41 5.18 -2.24 -1.26 -4.96 114.28 103.09 1j3g n THR 122 Ca -0.21 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.20 1j3g n THR 122 Cb 0.64 -2.08 -0.03 0.00 -2.10 0.00 0.00 70.33 66.76 1j3g n THR 122 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1j3g s LEU 123 N -7.02 4.10 -0.22 3.22 0.20 -1.08 -4.91 118.68 112.98 1j3g s LEU 123 Ca 0.61 2.18 -0.42 0.00 0.69 0.00 0.00 54.13 57.19 1j3g s LEU 123 Cb -0.32 -4.18 -0.19 0.00 -0.43 0.00 0.00 46.19 41.06 1j3g s LEU 123 CO 0.75 -0.67 1.26 0.00 -0.29 0.00 0.00 176.35 177.41 1j3g n ALA 124 N -0.20 -2.55 0.91 5.97 0.00 -1.26 -4.79 120.51 118.58 1j3g n ALA 124 Ca 0.06 0.54 0.13 0.00 0.00 0.00 0.00 53.44 54.17 1j3g n ALA 124 Cb 0.49 -1.77 0.57 0.00 0.00 0.00 0.00 19.45 18.73 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 2.53 0.16 -2.73 0.00 4.01 -1.26 -4.80 117.16 115.07 1j3g n TYR 125 Ca 0.24 0.05 -0.05 0.00 -0.16 0.00 0.00 57.90 57.98 1j3g n TYR 125 Cb 0.02 -0.58 0.01 0.00 -0.31 0.00 0.00 39.34 38.47 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 -1.63 -9.77 -0.10 -0.72 -2.24 -1.23 -4.37 114.28 94.21 1j3g n THR 126 Ca 0.07 0.54 0.08 0.00 -2.27 0.00 0.00 64.05 62.47 1j3g n THR 126 Cb 0.35 -6.81 0.13 0.00 -2.10 0.00 0.00 70.33 61.89 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 -0.66 0.02 -0.33 3.42 8.00 -1.26 -0.44 116.55 125.30 1j3g n ASP 127 Ca 0.08 0.22 0.25 0.00 0.71 0.00 0.00 54.79 56.04 1j3g n ASP 127 Cb 0.43 -0.11 0.49 0.00 -0.02 0.00 0.00 41.12 41.91 1j3g n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j3g h ALA 128 N 0.24 1.97 -0.34 2.24 0.00 -1.97 -0.96 119.26 120.43 1j3g h ALA 128 Ca 0.16 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1j3g h ALA 128 Cb 0.57 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1j3g h ALA 128 CO -0.05 -0.63 -0.47 1.96 0.00 0.00 0.00 179.25 180.06 1j3g h GLN 129 N 0.27 -0.38 -0.95 0.00 4.20 -0.98 -1.71 115.11 115.57 1j3g h GLN 129 Ca 0.75 0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.52 1j3g h GLN 129 Cb 1.76 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 29.57 1j3g h GLN 129 CO -0.64 -0.25 0.63 1.88 -0.67 0.00 0.00 178.83 179.78 1j3g h TYR 130 N -0.39 1.16 0.67 2.96 0.05 -1.41 0.16 116.97 120.17 1j3g h TYR 130 Ca 0.11 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 1j3g h TYR 130 Cb 0.60 -0.39 0.01 0.00 1.01 0.00 0.00 36.73 37.96 1j3g h TYR 130 CO -0.63 0.67 -0.32 1.96 -1.05 0.00 0.00 178.16 178.79 1j3g h GLN 131 N 1.20 -0.86 -0.27 4.88 4.20 -1.29 -0.71 115.11 122.25 1j3g h GLN 131 Ca 0.38 0.06 -0.08 0.00 0.06 0.00 0.00 58.65 59.07 1j3g h GLN 131 Cb 0.02 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1j3g h GLN 131 CO -0.12 -0.55 -0.16 1.96 -0.67 0.00 0.00 178.83 179.29 1j3g h GLN 132 N -1.19 0.47 -0.29 1.46 1.08 -1.27 -1.98 115.11 113.38 1j3g h GLN 132 Ca -0.09 -0.14 0.03 0.00 -1.45 0.00 0.00 58.65 57.00 1j3g h GLN 132 Cb 0.71 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 1j3g h GLN 132 CO 0.15 0.62 0.10 1.25 -0.95 0.00 0.00 178.83 180.00 1j3g h LEU 133 N 0.43 0.11 -0.25 1.46 5.85 -0.68 0.52 115.31 122.75 1j3g h LEU 133 Ca 0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1j3g h LEU 133 Cb 0.54 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1j3g h LEU 133 CO 0.03 0.10 0.17 0.00 -0.34 0.00 0.00 178.44 178.40 1j3g h ALA 134 N 1.19 0.32 -0.22 1.25 0.00 -0.75 0.20 119.26 121.25 1j3g h ALA 134 Ca 0.13 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1j3g h ALA 134 Cb 0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1j3g h ALA 134 CO -0.14 -0.20 -0.24 0.00 0.00 0.00 0.00 179.25 178.68 1j3g h ALA 135 N 1.09 -0.14 -0.17 0.00 0.00 -0.94 0.71 119.26 119.81 1j3g h ALA 135 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j3g h ALA 135 Cb -0.03 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1j3g h ALA 135 CO -0.02 -0.67 0.11 0.28 0.00 0.00 0.00 179.25 178.95 1j3g h VAL 136 N -0.25 1.05 -0.64 0.00 2.07 -0.67 -2.45 116.25 115.35 1j3g h VAL 136 Ca 0.13 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1j3g h VAL 136 Cb 0.45 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.96 1j3g h VAL 136 CO -0.36 0.05 0.24 0.74 0.02 0.00 0.00 177.57 178.25 1j3g h THR 137 N 0.22 0.74 -0.71 2.57 2.02 0.09 0.36 112.91 118.21 1j3g h THR 137 Ca 0.06 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1j3g h THR 137 Cb -0.02 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1j3g h THR 137 CO -0.01 0.07 0.40 0.78 0.37 0.00 0.00 175.52 177.13 1j3g h ASN 138 N 0.41 0.87 -0.09 4.18 2.35 -0.81 -0.33 115.58 122.15 1j3g h ASN 138 Ca 0.33 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1j3g h ASN 138 Cb 0.43 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1j3g h ASN 138 CO -0.33 0.70 0.05 0.00 -1.65 0.00 0.00 177.43 176.20 1j3g h ALA 139 N 1.20 0.11 -0.64 -0.83 0.00 -0.70 -1.17 119.26 117.23 1j3g h ALA 139 Ca 0.25 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1j3g h ALA 139 Cb 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1j3g h ALA 139 CO -0.04 -0.37 0.33 -0.07 0.00 0.00 0.00 179.25 179.10 1j3g h LEU 140 N 0.07 0.45 -0.99 0.00 -0.00 -0.60 -1.08 115.31 113.16 1j3g h LEU 140 Ca 0.03 0.04 0.04 0.00 -0.00 0.00 0.00 57.88 57.99 1j3g h LEU 140 Cb 0.05 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 40.62 1j3g h LEU 140 CO -0.01 0.28 0.65 0.40 -0.00 0.00 0.00 178.44 179.76 1j3g h ILE 141 N 0.59 1.17 0.00 1.22 2.04 -0.82 0.18 117.51 121.89 1j3g h ILE 141 Ca 0.30 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1j3g h ILE 141 Cb 0.25 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1j3g h ILE 141 CO -0.21 0.23 -0.12 0.74 0.00 0.00 0.00 178.15 178.78 1j3g h THR 142 N 1.25 0.86 0.00 -0.27 2.02 0.02 -2.84 112.91 113.95 1j3g h THR 142 Ca 0.39 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1j3g h THR 142 Cb 0.00 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1j3g h THR 142 CO -0.12 0.12 -0.21 0.03 0.37 0.00 0.00 175.52 175.71 1j3g h ARG 143 N 0.00 0.00 -4.34 6.66 2.47 -0.36 -3.46 114.38 115.36 1j3g h ARG 143 Ca -0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 1j3g h ARG 143 Cb 0.25 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.20 1j3g h ARG 143 CO 0.02 0.00 -0.79 0.71 0.56 0.00 0.00 179.97 180.46 1j3g s TYR 144 N -1.80 2.15 -0.46 3.04 2.02 0.51 -5.11 117.35 117.70 1j3g s TYR 144 Ca -0.06 -1.48 -0.18 0.00 -0.37 0.00 0.00 57.07 54.98 1j3g s TYR 144 Cb 0.01 -1.50 0.05 0.00 -0.40 0.00 0.00 41.96 40.11 1j3g s TYR 144 CO 0.09 -0.71 0.49 -1.25 -1.57 0.00 0.00 175.55 172.60 1j3g s PRO 145 N 1.48 3.08 0.00 -1.71 0.04 -1.08 -3.97 135.00 132.84 1j3g s PRO 145 Ca -0.02 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.07 1j3g s PRO 145 Cb -0.17 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1j3g s PRO 145 CO -0.07 -1.02 0.00 0.00 0.04 0.00 0.00 177.00 175.94 1j3g n ALA 146 N 5.71 0.99 -0.43 8.56 0.00 -1.26 -4.92 120.51 129.16 1j3g n ALA 146 Ca -0.08 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.71 1j3g n ALA 146 Cb 0.46 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.57 1j3g n ALA 146 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j3g h ILE 147 N 0.00 0.27 -0.45 0.00 2.04 -1.78 0.71 117.51 118.30 1j3g h ILE 147 Ca 0.00 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 65.95 1j3g h ILE 147 Cb 0.00 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1j3g h ILE 147 CO 0.00 0.02 0.47 0.00 0.00 0.00 0.00 178.15 178.64 1j3g h ALA 148 N 1.47 2.19 0.00 1.87 0.00 -1.91 -1.28 119.26 121.60 1j3g h ALA 148 Ca 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1j3g h ALA 148 Cb 2.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1j3g h ALA 148 CO -0.23 -0.70 -0.22 0.09 0.00 0.00 0.00 179.25 178.19 1j3g n ASN 149 N -3.76 1.08 -3.45 0.00 4.13 0.21 -4.94 115.26 108.52 1j3g n ASN 149 Ca 0.08 -2.34 -0.28 0.00 1.68 0.00 0.00 54.58 53.73 1j3g n ASN 149 Cb 0.66 -0.26 -0.11 0.00 -1.54 0.00 0.00 39.78 38.53 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 -1.65 2.12 -0.15 6.41 0.02 -0.48 -4.92 114.94 116.29 1j3g s ASN 150 Ca 0.13 -2.84 0.00 0.00 -1.02 0.00 0.00 52.86 49.13 1j3g s ASN 150 Cb 0.11 -0.51 0.03 0.00 0.02 0.00 0.00 41.25 40.90 1j3g s ASN 150 CO 0.01 -0.21 -0.10 -0.04 0.02 0.00 0.00 177.10 176.78 1j3g s MET 151 N 0.28 1.92 0.00 -0.60 -1.94 -1.26 -1.99 119.30 115.71 1j3g s MET 151 Ca 0.28 -0.54 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 1j3g s MET 151 Cb -0.05 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 34.75 1j3g s MET 151 CO -0.13 -0.32 0.00 -2.37 -0.01 0.00 0.00 175.02 172.19 1j3g n THR 152 N 4.81 0.00 0.00 2.05 5.66 -0.52 -5.00 114.28 121.29 1j3g n THR 152 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1j3g n THR 152 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 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 3.09 0.01 1.09 0.00 -1.26 -0.79 105.19 107.33 1j3g n GLY 153 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 0.85 1.61 -0.00 -0.54 -4.40 115.22 112.74 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 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 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 0.04 4.78 0.18 0.00 5.15 -1.15 -4.51 115.26 119.75 1j3g n ASN 156 Ca 0.08 -3.03 0.13 0.00 -0.60 0.00 0.00 54.58 51.16 1j3g n ASN 156 Cb 0.41 -0.71 0.64 0.00 -0.53 0.00 0.00 39.78 39.59 1j3g n ASN 156 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1j3g h ILE 157 N 2.75 0.00 0.00 -1.44 -2.65 -1.76 -3.39 117.51 111.02 1j3g h ILE 157 Ca 0.18 -0.10 0.00 0.00 1.03 0.00 0.00 64.86 65.97 1j3g h ILE 157 Cb 2.11 0.75 0.00 0.00 -2.05 0.00 0.00 36.82 37.63 1j3g h ILE 157 CO 0.62 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.80 1j3g n ALA 158 N -1.84 2.37 -2.54 0.16 0.00 -1.26 -4.55 120.51 112.86 1j3g n ALA 158 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1j3g n ALA 158 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 1j3g n ALA 158 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3g s PRO 159 N -1.39 4.24 0.00 0.00 0.04 -1.26 -4.90 135.00 131.72 1j3g s PRO 159 Ca 0.00 1.50 0.16 0.00 0.04 0.00 0.00 61.00 62.70 1j3g s PRO 159 Cb 0.00 -3.71 0.97 0.00 0.04 0.00 0.00 34.50 31.80 1j3g s PRO 159 CO 0.00 -0.68 1.38 -1.91 0.04 0.00 0.00 177.00 175.83 1j3g n GLU 160 N 6.48 0.54 0.09 4.56 2.13 -1.26 -3.17 120.64 130.01 1j3g n GLU 160 Ca 0.13 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.96 1j3g n GLU 160 Cb 0.45 -1.47 -0.03 0.00 0.27 0.00 0.00 31.44 30.66 1j3g n GLU 160 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1j3g h ARG 161 N 0.00 0.00 -5.29 5.31 2.43 -1.95 -3.45 114.38 111.42 1j3g h ARG 161 Ca 0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 1j3g h ARG 161 Cb 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 29.26 1j3g h ARG 161 CO 0.00 0.44 -0.81 0.15 -1.51 0.00 0.00 179.97 178.24 1j3g s LYS 162 N -2.93 1.11 0.00 0.20 1.02 -1.19 -4.97 119.74 112.98 1j3g s LYS 162 Ca 0.01 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1j3g s LYS 162 Cb 0.08 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.31 1j3g s LYS 162 CO 0.78 0.29 0.00 2.41 -0.92 0.00 0.00 175.35 177.91 1j3g n THR 163 N 2.64 0.00 -3.98 2.17 -1.04 -1.26 -2.92 114.28 109.89 1j3g n THR 163 Ca -0.15 -0.11 0.02 0.00 -2.04 0.00 0.00 64.05 61.77 1j3g n THR 163 Cb 0.55 0.55 0.01 0.00 -1.82 0.00 0.00 70.33 69.63 1j3g n THR 163 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1j3g n ASP 164 N -0.83 -1.18 -4.35 8.00 2.03 -1.26 -1.42 116.55 117.54 1j3g n ASP 164 Ca 0.00 -1.32 -0.39 0.00 0.52 0.00 0.00 54.79 53.60 1j3g n ASP 164 Cb 0.00 1.84 -0.02 0.00 -0.72 0.00 0.00 41.12 42.22 1j3g n ASP 164 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1j3g n PRO 165 N -0.82 2.52 0.00 -0.67 -0.04 -1.26 -3.93 135.00 130.79 1j3g n PRO 165 Ca 0.03 -2.80 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 1j3g n PRO 165 Cb 0.53 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 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 5.22 0.77 0.00 0.55 0.00 -1.26 -4.98 105.19 105.48 1j3g n GLY 166 Ca 0.48 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1j3g n GLY 166 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3g n PRO 167 N 0.00 0.00 -3.80 1.61 -0.04 -1.25 -4.47 135.00 127.05 1j3g n PRO 167 Ca 0.00 0.29 -0.26 0.00 -0.04 0.00 0.00 63.50 63.50 1j3g n PRO 167 Cb 0.00 -0.77 0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1j3g n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 168 N -1.70 -3.17 -1.35 3.54 2.88 -1.26 -4.86 113.62 107.69 1j3g n SER 168 Ca 0.00 -0.78 0.06 0.00 -1.33 0.00 0.00 58.87 56.81 1j3g n SER 168 Cb 0.00 -4.04 0.27 0.00 -0.75 0.00 0.00 64.21 59.69 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 -4.51 1.28 -3.63 0.66 7.35 -1.26 -4.96 117.46 112.39 1j3g n PHE 169 Ca -0.12 -0.46 -0.23 0.00 -0.76 0.00 0.00 57.45 55.87 1j3g n PHE 169 Cb 0.60 -0.30 0.01 0.00 0.35 0.00 0.00 39.48 40.13 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 0.55 -5.42 0.20 -2.13 -0.08 -1.26 -4.60 116.55 103.82 1j3g n ASP 170 Ca 0.19 -0.68 0.13 0.00 -1.51 0.00 0.00 54.79 52.92 1j3g n ASP 170 Cb 0.80 -2.23 0.71 0.00 2.34 0.00 0.00 41.12 42.74 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 0.28 0.00 -0.01 -0.67 4.06 -1.95 -0.76 115.95 116.90 1j3g h TRP 171 Ca -0.53 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.42 1j3g h TRP 171 Cb 1.34 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.50 1j3g h TRP 171 CO 0.18 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 175.07 1j3g h ALA 172 N 1.91 0.01 -0.08 1.49 0.00 -1.99 -0.54 119.26 120.06 1j3g h ALA 172 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1j3g h ALA 172 Cb 0.29 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1j3g h ALA 172 CO -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 179.25 178.90 1j3g h ARG 173 N -0.23 0.13 0.32 0.00 2.47 -1.73 -2.75 114.38 112.58 1j3g h ARG 173 Ca 0.00 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1j3g h ARG 173 Cb 0.25 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1j3g h ARG 173 CO 0.00 0.33 -0.16 0.35 0.56 0.00 0.00 179.97 181.06 1j3g h PHE 174 N -0.10 -0.40 -0.76 3.04 3.57 -1.15 -0.11 116.94 121.01 1j3g h PHE 174 Ca 0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1j3g h PHE 174 Cb 0.26 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1j3g h PHE 174 CO 0.01 -0.23 0.49 -0.09 -2.23 0.00 0.00 178.31 176.26 1j3g h ARG 175 N -0.47 1.02 -0.57 1.11 1.12 -1.19 -1.53 114.38 113.85 1j3g h ARG 175 Ca -0.04 -0.07 -0.10 0.00 -1.11 0.00 0.00 59.98 58.66 1j3g h ARG 175 Cb 0.36 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.08 1j3g h ARG 175 CO 0.07 0.69 -0.02 0.00 -3.11 0.00 0.00 179.97 177.60 1j3g h ALA 176 N 1.50 0.77 -0.29 2.80 0.00 -1.25 -3.31 119.26 119.48 1j3g h ALA 176 Ca 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1j3g h ALA 176 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1j3g h ALA 176 CO -0.06 0.62 0.06 -0.07 0.00 0.00 0.00 179.25 179.81 1j3g h LEU 177 N 0.91 0.44-10.24 0.00 3.38 -0.03 -3.45 115.31 106.32 1j3g h LEU 177 Ca 0.16 -0.24 -0.47 0.00 0.09 0.00 0.00 57.88 57.42 1j3g h LEU 177 Cb 0.57 -0.12 0.19 0.00 0.09 0.00 0.00 40.66 41.39 1j3g h LEU 177 CO 0.03 0.57 0.14 -0.69 0.09 0.00 0.00 178.44 178.58 1j3g s VAL 178 N -5.26 2.21 -0.47 1.22 1.01 -0.84 -4.87 120.40 113.40 1j3g s VAL 178 Ca -0.13 0.07 -0.44 0.00 0.00 0.00 0.00 61.98 61.47 1j3g s VAL 178 Cb 0.08 -2.26 -0.18 0.00 0.00 0.00 0.00 36.38 34.02 1j3g s VAL 178 CO 0.74 -0.09 1.95 0.41 0.00 0.00 0.00 175.10 178.11 1j3g n THR 179 N -4.44 0.04 -1.14 3.92 -1.04 -1.26 -4.83 114.28 105.53 1j3g n THR 179 Ca 0.06 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.05 61.82 1j3g n THR 179 Cb 0.54 -0.65 -0.12 0.00 -1.82 0.00 0.00 70.33 68.28 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 6.30 2.64 -3.16 -2.82 -0.04 -1.26 -4.65 135.00 132.02 1j3g n PRO 180 Ca 0.44 -1.51 -0.17 0.00 -0.04 0.00 0.00 63.50 62.22 1j3g n PRO 180 Cb -0.01 -2.29 -0.02 0.00 -0.04 0.00 0.00 33.50 31.15 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 2.78 -2.41 -2.64 3.54 2.88 -1.26 -4.84 113.62 111.67 1j3g n SER 181 Ca 0.56 -0.16 -0.05 0.00 -1.33 0.00 0.00 58.87 57.89 1j3g n SER 181 Cb 0.66 -2.08 0.02 0.00 -0.75 0.00 0.00 64.21 62.06 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 -1.97 -1.64 -3.39 -3.46 2.88 -1.26 -5.03 113.62 99.75 1j3g n SER 182 Ca -0.00 -2.02 -0.20 0.00 -1.33 0.00 0.00 58.87 55.32 1j3g n SER 182 Cb 0.52 2.70 0.06 0.00 -0.75 0.00 0.00 64.21 66.74 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 -0.51 -2.29 -4.29 0.66 -0.00 -1.26 -4.88 115.22 102.65 1j3g n HIS 183 Ca -0.05 0.73 -0.22 0.00 -0.00 0.00 0.00 57.72 58.18 1j3g n HIS 183 Cb 0.47 -3.89 -0.13 0.00 -0.00 0.00 0.00 29.99 26.44 1j3g n HIS 183 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1j3g s LYS 184 N -4.90 1.04 0.38 1.57 2.36 -1.26 -4.92 119.74 114.00 1j3g s LYS 184 Ca 0.46 -1.04 0.00 0.00 -2.55 0.00 0.00 55.97 52.84 1j3g s LYS 184 Cb -0.10 -1.19 0.00 0.00 -1.05 0.00 0.00 37.83 35.49 1j3g s LYS 184 CO 0.78 0.28 0.00 -0.85 1.55 0.00 0.00 175.35 177.11 1j3g n GLU 185 N 1.29 -2.66 -2.74 4.03 0.28 -1.26 -5.03 120.64 114.54 1j3g n GLU 185 Ca -0.20 1.91 -0.02 0.00 -0.16 0.00 0.00 57.16 58.69 1j3g n GLU 185 Cb 0.54 -3.25 0.00 0.00 1.43 0.00 0.00 31.44 30.16 1j3g n GLU 185 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1j3g n MET 186 N -3.92 -3.19 -0.80 3.44 0.00 -1.26 -5.25 117.12 106.14 1j3g n MET 186 Ca -0.02 2.61 0.00 0.00 0.00 0.00 0.00 57.70 60.29 1j3g n MET 186 Cb 0.66 -5.44 0.00 0.00 0.00 0.00 0.00 33.22 28.44 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38