#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2q s THR 2 N 0.00 -0.25 0.02 12.58 -1.32 -1.25 -0.07 115.64 125.34 1j2q s THR 2 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1j2q s THR 2 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1j2q s THR 2 CO 0.00 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 172.78 1j2q s THR 3 N 1.92 0.33 0.24 5.08 -4.23 0.40 -2.65 115.64 116.73 1j2q s THR 3 Ca -0.08 -0.60 0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1j2q s THR 3 Cb -0.06 -0.36 -0.05 0.00 1.34 0.00 0.00 72.50 73.36 1j2q s THR 3 CO -0.19 -0.18 -0.09 0.68 -0.54 0.00 0.00 174.62 174.29 1j2q s VAL 4 N -0.77 1.62 -0.20 2.29 -7.23 0.16 0.53 120.40 116.80 1j2q s VAL 4 Ca -0.06 -2.16 -0.11 0.00 -1.81 0.00 0.00 61.98 57.84 1j2q s VAL 4 Cb -0.06 -2.24 0.06 0.00 0.56 0.00 0.00 36.38 34.71 1j2q s VAL 4 CO -0.00 -0.45 0.48 -0.83 -0.31 0.00 0.00 175.10 173.99 1j2q s GLY 5 N -3.37 -0.40 -0.02 2.32 0.00 0.50 -1.52 107.32 104.83 1j2q s GLY 5 Ca 0.26 1.73 0.01 0.00 0.00 0.00 0.00 44.72 46.71 1j2q s GLY 5 CO 0.09 1.82 -0.03 0.48 0.00 0.00 0.00 173.10 175.46 1j2q s LEU 6 N 1.38 1.65 -0.39 0.66 2.34 -0.26 -1.45 118.68 122.61 1j2q s LEU 6 Ca -0.09 -0.07 -0.19 0.00 0.06 0.00 0.00 54.13 53.84 1j2q s LEU 6 Cb -0.07 -0.25 0.01 0.00 -0.56 0.00 0.00 46.19 45.32 1j2q s LEU 6 CO -0.14 -0.01 0.55 0.68 -1.06 0.00 0.00 176.35 176.37 1j2q s VAL 7 N 0.39 4.96 0.64 1.48 -7.23 -0.32 -1.69 120.40 118.63 1j2q s VAL 7 Ca -0.04 0.14 0.03 0.00 -1.81 0.00 0.00 61.98 60.30 1j2q s VAL 7 Cb -0.07 -4.07 0.10 0.00 0.56 0.00 0.00 36.38 32.89 1j2q s VAL 7 CO -0.01 -0.40 0.89 0.00 -0.31 0.00 0.00 175.10 175.28 1j2q h LYS 9 N -0.20 0.00 -0.41 0.00 2.10 -1.53 -3.25 116.57 113.29 1j2q h LYS 9 Ca -0.36 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.03 1j2q h LYS 9 Cb 1.28 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 32.43 1j2q h LYS 9 CO 0.42 0.46 -0.33 -0.40 -2.00 0.00 0.00 179.45 177.60 1j2q n ASP 10 N -3.77 3.26 0.00 7.07 5.75 -1.26 -5.08 116.55 122.52 1j2q n ASP 10 Ca -0.01 -3.82 0.00 0.00 -0.01 0.00 0.00 54.79 50.95 1j2q n ASP 10 Cb 0.52 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1j2q n ASP 10 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j2q n GLY 11 N -1.00 0.64 2.94 6.12 0.00 -1.23 -4.66 105.19 108.00 1j2q n GLY 11 Ca 0.34 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 1j2q n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j2q s VAL 12 N -3.45 0.02 0.00 1.61 1.01 -0.59 -1.34 120.40 117.66 1j2q s VAL 12 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1j2q s VAL 12 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 1j2q s VAL 12 CO 0.00 -0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.16 1j2q s VAL 13 N -0.23 1.35 -0.06 2.92 1.01 -0.68 -0.10 120.40 124.61 1j2q s VAL 13 Ca -0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1j2q s VAL 13 Cb -0.02 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1j2q s VAL 13 CO 0.00 0.31 0.16 -0.04 0.00 0.00 0.00 175.10 175.53 1j2q s MET 14 N -0.59 0.18 0.10 2.72 -1.94 -0.64 -1.10 119.30 118.02 1j2q s MET 14 Ca 0.06 0.24 -0.10 0.00 -1.71 0.00 0.00 55.69 54.18 1j2q s MET 14 Cb -0.07 0.06 0.00 0.00 2.01 0.00 0.00 34.83 36.83 1j2q s MET 14 CO -0.00 -0.04 0.22 0.00 -0.01 0.00 0.00 175.02 175.19 1j2q s ALA 15 N 0.21 -0.31 0.18 3.03 0.00 -0.58 -0.38 121.76 123.91 1j2q s ALA 15 Ca -0.01 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 1j2q s ALA 15 Cb -0.02 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1j2q s ALA 15 CO -0.01 -0.53 0.44 0.95 0.00 0.00 0.00 175.76 176.61 1j2q s THR 16 N -3.86 0.04 0.14 0.00 -4.23 -0.66 -0.66 115.64 106.41 1j2q s THR 16 Ca 0.05 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1j2q s THR 16 Cb 0.04 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.32 1j2q s THR 16 CO -0.11 -0.20 0.19 -1.84 -0.54 0.00 0.00 174.62 172.12 1j2q n GLU 17 N -0.29 0.78 -0.29 3.99 -0.00 -1.09 -0.57 120.64 123.18 1j2q n GLU 17 Ca -0.10 -0.67 0.09 0.00 -0.00 0.00 0.00 57.16 56.47 1j2q n GLU 17 Cb 0.63 -0.08 0.20 0.00 -0.00 0.00 0.00 31.44 32.19 1j2q n GLU 17 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1j2q n LYS 18 N -1.32 2.05 -3.64 3.44 4.76 -1.06 -4.74 118.16 117.67 1j2q n LYS 18 Ca 0.04 -2.76 -0.35 0.00 -2.87 0.00 0.00 58.31 52.37 1j2q n LYS 18 Cb 0.13 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.59 1j2q n LYS 18 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1j2q s ARG 19 N -2.89 3.71 -0.07 1.97 3.52 -1.06 -1.20 118.95 122.93 1j2q s ARG 19 Ca 0.37 0.12 -0.00 0.00 -0.13 0.00 0.00 55.73 56.09 1j2q s ARG 19 Cb 0.32 -3.06 0.02 0.00 -1.56 0.00 0.00 34.95 30.67 1j2q s ARG 19 CO 0.05 0.62 -0.04 0.00 -0.81 0.00 0.00 175.30 175.12 1j2q s ALA 20 N -1.30 0.82 0.27 6.12 0.00 -0.52 -4.54 121.76 122.60 1j2q s ALA 20 Ca 0.29 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1j2q s ALA 20 Cb -0.14 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 1j2q s ALA 20 CO 0.16 -0.24 -0.08 0.95 0.00 0.00 0.00 175.76 176.55 1j2q s THR 21 N 1.44 1.70 -0.37 0.00 -4.23 -1.26 -0.26 115.64 112.66 1j2q s THR 21 Ca -0.02 -2.15 0.02 0.00 -1.18 0.00 0.00 61.69 58.35 1j2q s THR 21 Cb -0.13 -2.37 0.15 0.00 1.34 0.00 0.00 72.50 71.48 1j2q s THR 21 CO -0.03 -0.36 0.31 -0.32 -0.54 0.00 0.00 174.62 173.68 1j2q s MET 22 N -3.70 0.63 6.10 3.99 1.75 -0.73 -4.88 119.30 122.46 1j2q s MET 22 Ca 0.28 -1.19 0.00 0.00 -1.25 0.00 0.00 55.69 53.53 1j2q s MET 22 Cb 0.03 -1.02 0.00 0.00 2.84 0.00 0.00 34.83 36.67 1j2q s MET 22 CO 0.11 -1.22 0.00 0.41 -0.65 0.00 0.00 175.02 173.67 1j2q n GLY 23 N 3.99 1.57 0.09 2.11 0.00 -1.26 -2.81 105.19 108.89 1j2q n GLY 23 Ca 0.13 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.59 1j2q n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j2q n ASN 24 N 6.92 1.13 -4.67 1.61 5.03 -1.26 -4.92 115.26 119.09 1j2q n ASN 24 Ca 0.00 -1.06 -0.42 0.00 0.87 0.00 0.00 54.58 53.96 1j2q n ASN 24 Cb 0.00 0.89 -0.03 0.00 -1.02 0.00 0.00 39.78 39.63 1j2q n ASN 24 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1j2q s PHE 25 N -2.74 2.52 -0.54 3.10 5.36 -1.12 -4.96 117.98 119.60 1j2q s PHE 25 Ca 0.09 0.60 -0.24 0.00 -0.96 0.00 0.00 56.93 56.41 1j2q s PHE 25 Cb 0.15 -3.75 0.04 0.00 -0.34 0.00 0.00 43.02 39.12 1j2q s PHE 25 CO 0.75 -2.92 0.95 0.42 -1.46 0.00 0.00 175.22 172.96 1j2q s ILE 26 N 3.16 4.38 0.07 3.12 1.01 -1.26 -1.78 121.20 129.90 1j2q s ILE 26 Ca 0.66 0.37 0.07 0.00 0.00 0.00 0.00 60.65 61.75 1j2q s ILE 26 Cb -0.31 -4.54 -0.22 0.00 0.01 0.00 0.00 42.46 37.40 1j2q s ILE 26 CO 0.26 -1.09 1.10 0.00 0.00 0.00 0.00 174.94 175.21 1j2q h ALA 27 N 9.29 0.44 -2.67 9.38 0.00 -0.97 -3.47 119.26 131.27 1j2q h ALA 27 Ca -0.26 -1.05 -0.11 0.00 0.00 0.00 0.00 54.91 53.48 1j2q h ALA 27 Cb 1.07 0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.65 1j2q h ALA 27 CO 1.09 1.31 -0.21 0.45 0.00 0.00 0.00 179.25 181.89 1j2q s SER 28 N -6.60 -0.47 0.00 0.00 0.15 -0.71 -4.96 113.70 101.11 1j2q s SER 28 Ca -0.01 0.89 0.22 0.00 0.70 0.00 0.00 55.95 57.75 1j2q s SER 28 Cb 0.09 0.89 0.09 0.00 -1.71 0.00 0.00 66.02 65.38 1j2q s SER 28 CO 0.83 -0.16 1.14 0.29 1.20 0.00 0.00 173.24 176.54 1j2q n LYS 29 N 2.98 1.77 -2.24 5.44 4.76 -1.26 -1.44 118.16 128.17 1j2q n LYS 29 Ca -0.14 -1.45 0.02 0.00 -2.87 0.00 0.00 58.31 53.86 1j2q n LYS 29 Cb 0.57 -1.44 0.04 0.00 -1.84 0.00 0.00 35.03 32.36 1j2q n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j2q n ALA 30 N 0.68 2.50 -1.77 7.82 0.00 -0.92 -4.61 120.51 124.22 1j2q n ALA 30 Ca 0.11 -2.53 -0.40 0.00 0.00 0.00 0.00 53.44 50.63 1j2q n ALA 30 Cb 0.51 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 19.16 1j2q n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2q s ALA 31 N -2.07 3.22 -0.10 0.00 0.00 -0.34 -4.97 121.76 117.50 1j2q s ALA 31 Ca 0.29 1.36 -0.20 0.00 0.00 0.00 0.00 51.96 53.42 1j2q s ALA 31 Cb 0.35 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1j2q s ALA 31 CO -0.10 -1.06 0.56 0.21 0.00 0.00 0.00 175.76 175.38 1j2q s LYS 32 N -2.40 4.38 0.00 0.00 2.20 -1.26 -4.57 119.74 118.09 1j2q s LYS 32 Ca 0.60 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 1j2q s LYS 32 Cb -0.41 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1j2q s LYS 32 CO 0.53 0.11 0.56 1.63 -0.36 0.00 0.00 175.35 177.82 1j2q n LYS 33 N 3.74 0.74 -4.51 4.03 5.02 -1.26 -4.97 118.16 120.94 1j2q n LYS 33 Ca -0.05 -0.70 -0.28 0.00 -2.02 0.00 0.00 58.31 55.27 1j2q n LYS 33 Cb 0.51 -0.68 -0.17 0.00 -0.02 0.00 0.00 35.03 34.68 1j2q n LYS 33 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1j2q s ILE 34 N -0.27 1.42 0.10 -0.18 -1.16 -1.26 -0.81 121.20 119.04 1j2q s ILE 34 Ca 0.00 -0.61 0.08 0.00 -0.51 0.00 0.00 60.65 59.61 1j2q s ILE 34 Cb 0.00 -1.30 -0.04 0.00 0.61 0.00 0.00 42.46 41.73 1j2q s ILE 34 CO 0.00 0.42 -0.21 -0.31 -2.81 0.00 0.00 174.94 172.03 1j2q s TYR 35 N 0.91 1.80 -0.25 3.50 2.02 0.14 -4.95 117.35 120.51 1j2q s TYR 35 Ca -0.09 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 1j2q s TYR 35 Cb -0.15 -0.99 -0.05 0.00 -0.40 0.00 0.00 41.96 40.37 1j2q s TYR 35 CO 0.00 0.21 0.19 -1.14 -1.57 0.00 0.00 175.55 173.24 1j2q s GLN 36 N -1.91 4.04 -0.23 -0.62 0.74 -1.26 -0.33 119.66 120.09 1j2q s GLN 36 Ca 0.07 -0.25 -0.19 0.00 0.05 0.00 0.00 55.36 55.04 1j2q s GLN 36 Cb -0.10 -3.58 -0.16 0.00 1.10 0.00 0.00 33.01 30.27 1j2q s GLN 36 CO 0.04 -0.03 0.02 -0.89 -0.55 0.00 0.00 175.29 173.88 1j2q n ILE 37 N 4.55 1.53 -4.17 -2.34 2.08 -0.37 -4.94 119.36 115.70 1j2q n ILE 37 Ca -0.14 -0.12 -0.09 0.00 0.56 0.00 0.00 62.75 62.95 1j2q n ILE 37 Cb 0.52 -2.01 -0.03 0.00 -0.75 0.00 0.00 39.64 37.37 1j2q n ILE 37 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1j2q n ALA 38 N -3.69 0.27 -0.26 -1.39 0.00 -1.14 -4.71 120.51 109.59 1j2q n ALA 38 Ca -0.38 -0.84 -0.02 0.00 0.00 0.00 0.00 53.44 52.20 1j2q n ALA 38 Cb 0.73 0.62 0.17 0.00 0.00 0.00 0.00 19.45 20.97 1j2q n ALA 38 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1j2q h ASP 39 N 0.76 0.97 -0.77 0.00 3.32 -1.97 -3.11 116.42 115.62 1j2q h ASP 39 Ca -0.12 -0.07 -0.51 0.00 0.02 0.00 0.00 57.03 56.35 1j2q h ASP 39 Cb 0.51 -0.25 -0.42 0.00 0.22 0.00 0.00 39.33 39.39 1j2q h ASP 39 CO 0.18 0.77 -0.86 0.54 -1.72 0.00 0.00 179.24 178.15 1j2q n ARG 40 N -4.36 3.33 -3.75 3.56 5.12 -1.26 -4.63 116.66 114.67 1j2q n ARG 40 Ca 0.08 -4.10 -0.14 0.00 -1.93 0.00 0.00 57.85 51.77 1j2q n ARG 40 Cb 0.08 -2.18 -0.14 0.00 -1.16 0.00 0.00 32.46 29.06 1j2q n ARG 40 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1j2q s MET 41 N -3.62 0.10 0.37 5.56 1.75 -1.18 -0.12 119.30 122.16 1j2q s MET 41 Ca 0.47 0.38 0.05 0.00 -1.25 0.00 0.00 55.69 55.34 1j2q s MET 41 Cb 0.40 -0.18 -0.06 0.00 2.84 0.00 0.00 34.83 37.83 1j2q s MET 41 CO 0.01 -0.17 0.04 0.00 -0.65 0.00 0.00 175.02 174.26 1j2q s ALA 42 N 1.17 2.75 -0.11 4.11 0.00 0.97 -1.24 121.76 129.42 1j2q s ALA 42 Ca -0.09 -1.99 -0.08 0.00 0.00 0.00 0.00 51.96 49.79 1j2q s ALA 42 Cb -0.11 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.52 1j2q s ALA 42 CO -0.06 -0.24 0.29 1.41 0.00 0.00 0.00 175.76 177.16 1j2q s MET 43 N -3.82 0.30 0.03 0.00 1.75 0.55 -1.59 119.30 116.52 1j2q s MET 43 Ca 0.34 0.48 0.05 0.00 -1.25 0.00 0.00 55.69 55.31 1j2q s MET 43 Cb 0.08 0.05 -0.03 0.00 2.84 0.00 0.00 34.83 37.77 1j2q s MET 43 CO 0.16 -0.09 -0.11 0.95 -0.65 0.00 0.00 175.02 175.27 1j2q s THR 44 N 0.64 3.32 -0.11 10.11 -4.23 0.35 0.23 115.64 125.95 1j2q s THR 44 Ca -0.04 -0.98 0.03 0.00 -1.18 0.00 0.00 61.69 59.52 1j2q s THR 44 Cb -0.05 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1j2q s THR 44 CO -0.04 0.34 -0.21 0.42 -0.54 0.00 0.00 174.62 174.59 1j2q s THR 45 N -1.00 1.89 0.04 3.99 -4.23 0.01 -1.95 115.64 114.39 1j2q s THR 45 Ca 0.17 -0.91 0.07 0.00 -1.18 0.00 0.00 61.69 59.84 1j2q s THR 45 Cb -0.11 -1.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1j2q s THR 45 CO 0.08 0.52 -0.19 0.00 -0.54 0.00 0.00 174.62 174.49 1j2q s ALA 46 N 0.56 1.58 0.00 3.99 0.00 -0.76 -4.86 121.76 122.27 1j2q s ALA 46 Ca -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1j2q s ALA 46 Cb -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1j2q s ALA 46 CO 0.05 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1j2q n GLY 47 N 1.88 0.24 3.69 0.00 0.00 -1.26 0.50 105.19 110.23 1j2q n GLY 47 Ca -0.17 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1j2q n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j2q s SER 48 N -4.00 6.73 0.11 1.61 0.15 0.79 -4.92 113.70 114.16 1j2q s SER 48 Ca 0.00 2.30 -0.29 0.00 0.70 0.00 0.00 55.95 58.66 1j2q s SER 48 Cb 0.00 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.65 1j2q s SER 48 CO 0.00 -0.81 1.62 0.58 1.20 0.00 0.00 173.24 175.84 1j2q h VAL 49 N 4.87 0.34 -0.73 4.45 2.07 -1.96 0.16 116.25 125.45 1j2q h VAL 49 Ca -0.40 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.19 1j2q h VAL 49 Cb 1.19 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1j2q h VAL 49 CO 0.92 0.00 0.41 1.23 0.02 0.00 0.00 177.57 180.15 1j2q h GLY 50 N -0.58 1.09 0.86 2.17 0.00 -1.98 0.17 103.07 104.79 1j2q h GLY 50 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1j2q h GLY 50 CO -0.14 0.16 -0.00 -0.55 0.00 0.00 0.00 176.54 176.01 1j2q h ASP 51 N 0.74 0.46 0.01 0.19 3.45 -1.85 -1.17 116.42 118.25 1j2q h ASP 51 Ca 0.33 -0.31 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 1j2q h ASP 51 Cb 0.23 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 1j2q h ASP 51 CO -0.20 0.66 -0.01 0.00 -1.57 0.00 0.00 179.24 178.13 1j2q h ALA 52 N 0.81 -0.01 -0.57 3.45 0.00 -0.37 -0.52 119.26 122.06 1j2q h ALA 52 Ca 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1j2q h ALA 52 Cb 0.43 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1j2q h ALA 52 CO 0.01 -0.46 0.32 1.96 0.00 0.00 0.00 179.25 181.09 1j2q h GLN 53 N -0.11 0.61 0.28 0.00 4.20 -0.96 0.26 115.11 119.39 1j2q h GLN 53 Ca -0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1j2q h GLN 53 Cb 0.11 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1j2q h GLN 53 CO 0.00 0.40 -0.21 0.35 -0.67 0.00 0.00 178.83 178.70 1j2q h PHE 54 N 0.62 -0.56 -0.92 2.96 3.57 -1.00 -2.25 116.94 119.37 1j2q h PHE 54 Ca 0.24 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1j2q h PHE 54 Cb 0.09 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1j2q h PHE 54 CO -0.08 -0.32 0.60 -0.07 -2.23 0.00 0.00 178.31 176.21 1j2q h LEU 55 N -0.50 1.02 -0.22 0.59 4.07 -0.76 -2.72 115.31 116.79 1j2q h LEU 55 Ca -0.02 -0.02 0.05 0.00 0.08 0.00 0.00 57.88 57.97 1j2q h LEU 55 Cb 0.44 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.89 1j2q h LEU 55 CO -0.00 0.71 -0.09 0.00 -1.08 0.00 0.00 178.44 177.98 1j2q h ALA 56 N 1.36 0.10 -0.33 1.53 0.00 -0.09 -0.00 119.26 121.83 1j2q h ALA 56 Ca 0.35 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.42 1j2q h ALA 56 Cb -0.06 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1j2q h ALA 56 CO -0.10 -0.51 -0.09 0.00 0.00 0.00 0.00 179.25 178.55 1j2q h ARG 57 N -0.06 -0.01 -0.10 0.00 3.08 -1.12 -0.71 114.38 115.46 1j2q h ARG 57 Ca 0.12 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1j2q h ARG 57 Cb 0.23 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1j2q h ARG 57 CO -0.26 -0.01 -0.12 0.82 -1.07 0.00 0.00 179.97 179.33 1j2q h ILE 58 N -0.02 0.67 -0.12 2.04 1.08 -1.17 -1.43 117.51 118.56 1j2q h ILE 58 Ca 0.16 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.68 1j2q h ILE 58 Cb 0.26 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 34.61 1j2q h ILE 58 CO -0.34 0.00 -0.30 0.40 -0.69 0.00 0.00 178.15 177.22 1j2q h ILE 59 N -0.16 0.32 0.41 -0.67 1.08 -0.35 -1.07 117.51 117.07 1j2q h ILE 59 Ca 0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 1j2q h ILE 59 Cb 0.27 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 1j2q h ILE 59 CO -0.19 0.00 -0.45 0.11 -0.69 0.00 0.00 178.15 176.92 1j2q h LYS 60 N -0.38 -0.84 -0.80 2.37 1.57 -0.82 -0.91 116.57 116.76 1j2q h LYS 60 Ca 0.10 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.12 1j2q h LYS 60 Cb 0.52 0.19 -0.14 0.00 0.08 0.00 0.00 32.23 32.89 1j2q h LYS 60 CO -0.34 -0.56 0.04 0.82 -0.57 0.00 0.00 179.45 178.84 1j2q h ILE 61 N -0.87 0.30 -0.05 1.86 5.03 -1.10 0.12 117.51 122.80 1j2q h ILE 61 Ca -0.05 -0.04 -0.11 0.00 -0.12 0.00 0.00 64.86 64.54 1j2q h ILE 61 Cb 0.77 0.18 -0.01 0.00 -3.03 0.00 0.00 36.82 34.73 1j2q h ILE 61 CO -0.08 0.02 -0.47 -0.33 -0.68 0.00 0.00 178.15 176.62 1j2q h GLU 62 N 0.11 0.13 -0.08 2.37 5.08 -0.88 -1.07 114.58 120.24 1j2q h GLU 62 Ca 0.45 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1j2q h GLU 62 Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1j2q h GLU 62 CO -0.69 0.57 -0.04 0.00 -1.00 0.00 0.00 179.01 177.85 1j2q h ALA 63 N 1.42 0.11 0.23 3.43 0.00 0.56 -2.01 119.26 122.99 1j2q h ALA 63 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1j2q h ALA 63 Cb 0.87 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1j2q h ALA 63 CO 0.07 -0.13 -0.38 -0.91 0.00 0.00 0.00 179.25 177.89 1j2q h ASN 64 N -0.22 -1.10 -1.00 0.00 2.35 -0.74 -2.27 115.58 112.61 1j2q h ASN 64 Ca 0.02 0.10 0.23 0.00 -0.55 0.00 0.00 56.30 56.10 1j2q h ASN 64 Cb 0.49 0.39 -0.12 0.00 0.05 0.00 0.00 38.32 39.13 1j2q h ASN 64 CO 0.01 -0.45 0.59 0.25 -1.65 0.00 0.00 177.43 176.18 1j2q h LEU 65 N -0.65 0.68 0.03 1.61 5.85 -1.26 0.32 115.31 121.89 1j2q h LEU 65 Ca -0.03 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1j2q h LEU 65 Cb 0.60 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1j2q h LEU 65 CO -0.13 0.14 -0.20 0.22 -0.34 0.00 0.00 178.44 178.14 1j2q h TYR 66 N 0.62 -0.52 0.39 1.25 3.20 -0.85 -0.19 116.97 120.88 1j2q h TYR 66 Ca 0.62 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.49 1j2q h TYR 66 Cb 1.12 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.62 1j2q h TYR 66 CO -0.01 -0.28 -0.19 1.49 -1.64 0.00 0.00 178.16 177.53 1j2q h GLU 67 N -0.33 -0.50 -0.96 1.82 4.81 -0.49 0.09 114.58 119.01 1j2q h GLU 67 Ca 0.05 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.48 1j2q h GLU 67 Cb 0.39 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 1j2q h GLU 67 CO -0.16 -0.24 0.61 0.82 -0.73 0.00 0.00 179.01 179.30 1j2q h ILE 68 N -0.70 0.76 0.21 2.32 5.03 -0.94 0.94 117.51 125.14 1j2q h ILE 68 Ca -0.05 -0.24 -0.29 0.00 -0.12 0.00 0.00 64.86 64.16 1j2q h ILE 68 Cb 0.49 -0.01 0.03 0.00 -3.03 0.00 0.00 36.82 34.31 1j2q h ILE 68 CO 0.09 0.13 -1.27 0.03 -0.68 0.00 0.00 178.15 176.45 1j2q h ARG 69 N 0.71 0.45 -0.03 2.37 3.08 -0.92 -3.36 114.38 116.68 1j2q h ARG 69 Ca 0.51 -0.76 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1j2q h ARG 69 Cb 0.86 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1j2q h ARG 69 CO -0.28 1.37 -0.08 0.54 -1.07 0.00 0.00 179.97 180.44 1j2q n ARG 70 N -3.86 2.05 -2.39 0.04 1.74 0.01 -4.96 116.66 109.29 1j2q n ARG 70 Ca -0.17 -1.66 -0.13 0.00 -0.77 0.00 0.00 57.85 55.12 1j2q n ARG 70 Cb 1.00 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.97 1j2q n ARG 70 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1j2q n GLU 71 N 0.97 -2.12 -4.03 5.56 1.02 0.32 -4.94 120.64 117.43 1j2q n GLU 71 Ca 0.14 0.65 -0.13 0.00 -0.02 0.00 0.00 57.16 57.80 1j2q n GLU 71 Cb 0.55 -5.25 -0.13 0.00 -0.02 0.00 0.00 31.44 26.59 1j2q n GLU 71 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1j2q s ARG 72 N -4.95 0.31 0.34 3.49 0.52 -1.23 -5.05 118.95 112.37 1j2q s ARG 72 Ca 0.00 -0.35 -0.25 0.00 -0.52 0.00 0.00 55.73 54.61 1j2q s ARG 72 Cb 0.00 -0.17 -0.10 0.00 0.52 0.00 0.00 34.95 35.20 1j2q s ARG 72 CO 0.00 0.04 0.96 0.15 0.02 0.00 0.00 175.30 176.46 1j2q s LYS 73 N -0.68 4.51 0.39 3.54 1.02 -1.26 -3.72 119.74 123.54 1j2q s LYS 73 Ca -0.05 1.33 -0.24 0.00 0.02 0.00 0.00 55.97 57.03 1j2q s LYS 73 Cb -0.05 -2.72 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 1j2q s LYS 73 CO -0.00 0.21 1.05 -1.25 -0.92 0.00 0.00 175.35 174.43 1j2q s PRO 74 N -2.21 4.22 0.49 -1.68 0.04 -1.26 -4.99 135.00 129.61 1j2q s PRO 74 Ca 0.52 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 1j2q s PRO 74 Cb -0.18 -2.60 -0.08 0.00 0.04 0.00 0.00 34.50 31.68 1j2q s PRO 74 CO 0.23 -0.10 0.97 -0.08 0.04 0.00 0.00 177.00 178.07 1j2q s THR 75 N -1.63 4.52 0.38 1.26 -1.32 -1.26 -4.92 115.64 112.68 1j2q s THR 75 Ca 0.57 1.25 0.10 0.00 -1.21 0.00 0.00 61.69 62.39 1j2q s THR 75 Cb -0.22 -3.70 0.32 0.00 -1.51 0.00 0.00 72.50 67.38 1j2q s THR 75 CO 0.28 -0.62 1.93 -0.37 -2.21 0.00 0.00 174.62 173.64 1j2q h VAL 76 N 1.10 0.91 -0.67 5.08 -1.51 -1.95 -0.44 116.25 118.77 1j2q h VAL 76 Ca -0.47 -0.21 0.03 0.00 -1.23 0.00 0.00 66.70 64.81 1j2q h VAL 76 Cb 1.18 0.24 -0.04 0.00 -2.13 0.00 0.00 31.29 30.54 1j2q h VAL 76 CO 0.61 0.11 0.42 -0.09 -1.23 0.00 0.00 177.57 177.40 1j2q h ARG 77 N 0.62 0.81 -0.50 5.19 2.43 -1.96 0.26 114.38 121.24 1j2q h ARG 77 Ca 0.35 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1j2q h ARG 77 Cb 0.53 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1j2q h ARG 77 CO -0.13 0.54 0.20 0.00 -1.51 0.00 0.00 179.97 179.07 1j2q h ALA 78 N 1.28 0.65 -0.32 2.80 0.00 -1.47 0.13 119.26 122.33 1j2q h ALA 78 Ca 0.27 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1j2q h ALA 78 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1j2q h ALA 78 CO -0.10 0.26 -0.32 0.82 0.00 0.00 0.00 179.25 179.92 1j2q h ILE 79 N 0.67 1.28 -0.45 0.00 1.08 -0.87 -0.62 117.51 118.60 1j2q h ILE 79 Ca 0.17 -1.45 -0.14 0.00 -0.39 0.00 0.00 64.86 63.04 1j2q h ILE 79 Cb 0.20 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 1j2q h ILE 79 CO -0.01 0.47 -0.29 0.00 -0.69 0.00 0.00 178.15 177.63 1j2q h ALA 80 N 1.07 0.64 -0.35 1.87 0.00 -0.17 -0.62 119.26 121.70 1j2q h ALA 80 Ca 0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1j2q h ALA 80 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1j2q h ALA 80 CO 0.07 0.68 -0.12 1.15 0.00 0.00 0.00 179.25 181.03 1j2q h THR 81 N 0.83 1.28 0.31 0.00 2.02 -0.62 0.57 112.91 117.29 1j2q h THR 81 Ca 0.09 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1j2q h THR 81 Cb 0.88 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1j2q h THR 81 CO 0.08 0.39 -0.35 0.25 0.37 0.00 0.00 175.52 176.26 1j2q h LEU 82 N 0.48 -0.98 -0.82 2.58 5.85 -0.99 -1.69 115.31 119.73 1j2q h LEU 82 Ca 0.08 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1j2q h LEU 82 Cb 0.64 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1j2q h LEU 82 CO 0.04 -0.48 0.54 0.74 -0.34 0.00 0.00 178.44 178.94 1j2q h THR 83 N -0.70 1.18 0.13 1.05 2.02 -1.03 -1.79 112.91 113.76 1j2q h THR 83 Ca -0.01 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1j2q h THR 83 Cb 0.65 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1j2q h THR 83 CO -0.09 0.20 -0.22 0.28 0.37 0.00 0.00 175.52 176.06 1j2q h SER 84 N 1.08 -0.61 -0.50 4.18 0.02 -0.61 0.07 113.55 117.19 1j2q h SER 84 Ca 0.31 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.40 1j2q h SER 84 Cb -0.07 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 1j2q h SER 84 CO -0.09 -0.31 0.18 0.78 -1.14 0.00 0.00 176.83 176.26 1j2q h ASN 85 N -0.42 0.19 0.21 3.07 -0.26 -1.04 0.20 115.58 117.52 1j2q h ASN 85 Ca 0.02 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 1j2q h ASN 85 Cb 0.43 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1j2q h ASN 85 CO -0.11 0.13 -0.10 0.25 -1.06 0.00 0.00 177.43 176.54 1j2q h LEU 86 N 0.36 -0.24 -0.24 1.61 5.85 -1.00 -0.89 115.31 120.75 1j2q h LEU 86 Ca 0.24 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1j2q h LEU 86 Cb 0.25 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1j2q h LEU 86 CO -0.24 -0.17 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.54 1j2q h LEU 87 N -0.28 -0.28 -1.37 2.25 -0.00 -0.44 -2.53 115.31 112.66 1j2q h LEU 87 Ca -0.03 0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 57.88 1j2q h LEU 87 Cb 0.22 0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1j2q h LEU 87 CO 0.04 -0.10 -0.11 -1.13 -0.00 0.00 0.00 178.44 177.14 1j2q h ASN 88 N -0.03 0.27 -0.31 -0.43 -0.73 -0.40 -2.11 115.58 111.84 1j2q h ASN 88 Ca 0.12 -0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.28 1j2q h ASN 88 Cb 0.21 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1j2q h ASN 88 CO -0.27 0.41 0.21 0.77 -0.37 0.00 0.00 177.43 178.19 1j2q h SER 89 N 0.27 0.19 -0.59 1.15 4.64 -0.72 0.14 113.55 118.62 1j2q h SER 89 Ca 0.06 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 1j2q h SER 89 Cb 0.37 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 62.33 1j2q h SER 89 CO 0.02 0.13 0.18 -1.22 -0.87 0.00 0.00 176.83 175.07 1j2q n TYR 90 N -4.48 2.00 0.19 4.77 4.01 -0.80 -4.65 117.16 118.20 1j2q n TYR 90 Ca 0.03 -0.94 0.10 0.00 -0.16 0.00 0.00 57.90 56.93 1j2q n TYR 90 Cb 0.23 -0.57 0.51 0.00 -0.31 0.00 0.00 39.34 39.20 1j2q n TYR 90 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1j2q h ARG 91 N 2.47 0.00 -0.60 -0.72 0.11 -0.72 0.18 114.38 115.11 1j2q h ARG 91 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1j2q h ARG 91 Cb 2.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.08 1j2q h ARG 91 CO 0.58 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.31 1j2q n TYR 92 N -2.24 0.79 -2.69 4.08 4.01 -1.26 -4.27 117.16 115.58 1j2q n TYR 92 Ca -0.01 -0.41 -0.06 0.00 -0.16 0.00 0.00 57.90 57.26 1j2q n TYR 92 Cb 0.21 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.32 1j2q n TYR 92 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1j2q n PHE 93 N 1.57 -1.58 -1.29 -0.72 3.01 -0.48 -5.16 117.46 112.80 1j2q n PHE 93 Ca 0.22 -1.40 -0.36 0.00 1.01 0.00 0.00 57.45 56.93 1j2q n PHE 93 Cb 0.61 1.41 0.09 0.00 -0.01 0.00 0.00 39.48 41.58 1j2q n PHE 93 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1j2q n PRO 94 N -0.16 0.40 -2.63 -1.08 -0.04 0.52 -4.94 135.00 127.06 1j2q n PRO 94 Ca -0.08 0.19 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 1j2q n PRO 94 Cb 0.74 -2.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 1j2q n PRO 94 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j2q s TYR 95 N -1.89 3.05 -1.06 0.54 1.51 -1.26 -4.92 117.35 113.32 1j2q s TYR 95 Ca 0.70 1.05 -0.24 0.00 -1.01 0.00 0.00 57.07 57.58 1j2q s TYR 95 Cb -0.34 -3.90 -0.07 0.00 -0.11 0.00 0.00 41.96 37.54 1j2q s TYR 95 CO 0.53 -0.91 1.95 -0.51 -1.11 0.00 0.00 175.55 175.50 1j2q s LEU 96 N 3.87 3.08 -0.05 -1.29 1.02 -1.26 -4.45 118.68 119.60 1j2q s LEU 96 Ca 0.46 -1.22 -0.15 0.00 0.02 0.00 0.00 54.13 53.23 1j2q s LEU 96 Cb -0.11 -2.58 0.03 0.00 0.02 0.00 0.00 46.19 43.56 1j2q s LEU 96 CO 0.20 -3.00 0.35 0.54 0.02 0.00 0.00 176.35 174.47 1j2q s VAL 97 N 10.84 0.04 -0.24 -1.59 0.11 -1.26 -0.15 120.40 128.14 1j2q s VAL 97 Ca 0.70 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.47 1j2q s VAL 97 Cb -0.03 -0.61 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1j2q s VAL 97 CO 0.08 -0.17 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.45 1j2q s GLN 98 N -0.85 2.39 0.17 1.54 -1.52 0.18 -2.62 119.66 118.95 1j2q s GLN 98 Ca -0.09 -1.18 0.05 0.00 -1.95 0.00 0.00 55.36 52.19 1j2q s GLN 98 Cb -0.04 -2.77 -0.04 0.00 -0.22 0.00 0.00 33.01 29.94 1j2q s GLN 98 CO 0.03 -0.47 0.13 -0.51 -0.25 0.00 0.00 175.29 174.22 1j2q s LEU 99 N 1.18 3.77 -0.17 2.90 1.43 0.13 -1.84 118.68 126.08 1j2q s LEU 99 Ca -0.05 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1j2q s LEU 99 Cb -0.18 -2.38 0.05 0.00 0.03 0.00 0.00 46.19 43.70 1j2q s LEU 99 CO -0.07 0.07 -0.03 -0.22 0.23 0.00 0.00 176.35 176.32 1j2q s LEU 100 N -3.11 1.61 -0.21 1.79 2.96 -0.82 0.36 118.68 121.25 1j2q s LEU 100 Ca 0.31 -0.73 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1j2q s LEU 100 Cb -0.10 -0.87 0.05 0.00 0.50 0.00 0.00 46.19 45.77 1j2q s LEU 100 CO 0.23 -0.21 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.31 1j2q s ILE 101 N 1.66 1.73 0.29 6.68 1.01 0.35 -0.50 121.20 132.42 1j2q s ILE 101 Ca -0.00 -1.11 -0.17 0.00 0.00 0.00 0.00 60.65 59.37 1j2q s ILE 101 Cb -0.16 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1j2q s ILE 101 CO -0.07 0.14 0.65 -0.83 0.00 0.00 0.00 174.94 174.82 1j2q s GLY 102 N 1.35 0.25 0.00 6.18 0.00 -0.62 -0.89 107.32 113.59 1j2q s GLY 102 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1j2q s GLY 102 CO -0.08 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.30 1j2q n GLY 103 N -0.46 -0.54 3.29 0.20 0.00 -0.79 -0.02 105.19 106.87 1j2q n GLY 103 Ca -0.04 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 1j2q n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2q s ILE 104 N -3.64 2.04 0.35 -0.61 1.01 0.84 -2.28 121.20 118.91 1j2q s ILE 104 Ca 0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 1j2q s ILE 104 Cb 0.00 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1j2q s ILE 104 CO 0.00 0.57 0.53 1.51 0.00 0.00 0.00 174.94 177.55 1j2q s ASP 105 N -0.38 0.76 0.61 3.58 3.84 0.58 -4.67 116.67 120.99 1j2q s ASP 105 Ca 0.03 -1.42 0.27 0.00 -0.00 0.00 0.00 52.55 51.43 1j2q s ASP 105 Cb -0.12 0.69 1.34 0.00 -1.38 0.00 0.00 42.92 43.45 1j2q s ASP 105 CO 0.01 -1.36 1.76 0.77 -0.00 0.00 0.00 175.17 176.35 1j2q h SER 106 N 2.09 0.00 1.07 2.11 4.64 -1.96 0.39 113.55 121.88 1j2q h SER 106 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1j2q h SER 106 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1j2q h SER 106 CO 0.39 0.00 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.50 1j2q h GLU 106 N 0.00 0.00 0.00 4.77 5.08 -2.01 -3.50 114.58 118.92 1j2q h GLU 106 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1j2q h GLU 106 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1j2q h GLU 106 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1j2q n GLY 107 N 1.30 0.43 3.40 -3.84 0.00 0.14 -5.06 105.19 101.55 1j2q n GLY 107 Ca 0.03 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 1j2q n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j2q s LYS 108 N -1.27 2.21 -0.04 1.61 1.02 -1.26 -0.31 119.74 121.69 1j2q s LYS 108 Ca 0.00 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 1j2q s LYS 108 Cb 0.00 -2.18 0.11 0.00 -0.52 0.00 0.00 37.83 35.24 1j2q s LYS 108 CO 0.00 0.57 1.03 -1.54 -0.92 0.00 0.00 175.35 174.49 1j2q s SER 109 N -0.89 -0.25 -0.01 2.83 1.04 -0.96 -5.04 113.70 110.43 1j2q s SER 109 Ca 0.12 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.50 1j2q s SER 109 Cb -0.10 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1j2q s SER 109 CO 0.01 -0.51 -0.02 -0.63 0.98 0.00 0.00 173.24 173.07 1j2q s ILE 110 N -2.87 0.20 -0.07 -1.02 1.01 -1.23 -1.89 121.20 115.33 1j2q s ILE 110 Ca 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1j2q s ILE 110 Cb -0.01 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 1j2q s ILE 110 CO -0.06 0.07 -0.25 -0.31 0.00 0.00 0.00 174.94 174.39 1j2q s TYR 111 N 0.08 2.47 -0.22 3.97 1.51 -0.07 0.20 117.35 125.29 1j2q s TYR 111 Ca -0.00 -0.84 -0.07 0.00 -1.01 0.00 0.00 57.07 55.14 1j2q s TYR 111 Cb -0.03 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1j2q s TYR 111 CO -0.00 -0.29 0.07 0.45 -1.11 0.00 0.00 175.55 174.67 1j2q s SER 112 N 0.02 5.40 -0.05 2.29 0.15 -0.56 -0.50 113.70 120.45 1j2q s SER 112 Ca -0.09 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1j2q s SER 112 Cb -0.15 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1j2q s SER 112 CO 0.06 0.06 -0.17 -0.63 1.20 0.00 0.00 173.24 173.76 1j2q s ILE 113 N 1.05 1.42 0.48 6.45 1.01 0.16 -0.68 121.20 131.08 1j2q s ILE 113 Ca 0.04 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.09 1j2q s ILE 113 Cb -0.14 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 41.13 1j2q s ILE 113 CO 0.03 0.41 0.66 1.51 0.00 0.00 0.00 174.94 177.55 1j2q s ASP 114 N 0.22 5.44 0.45 3.58 3.84 -0.67 0.20 116.67 129.74 1j2q s ASP 114 Ca -0.08 -0.52 0.29 0.00 -0.00 0.00 0.00 52.55 52.24 1j2q s ASP 114 Cb -0.13 -0.38 1.35 0.00 -1.38 0.00 0.00 42.92 42.38 1j2q s ASP 114 CO 0.03 -0.98 1.72 -0.65 -0.00 0.00 0.00 175.17 175.29 1j2q h PRO 115 N 0.44 0.17 -0.47 2.11 0.11 -1.72 0.33 132.00 132.98 1j2q h PRO 115 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1j2q h PRO 115 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1j2q h PRO 115 CO 0.44 0.11 0.00 -0.89 -0.21 0.00 0.00 178.00 177.45 1j2q n ILE 116 N -4.50 0.63 -1.78 4.15 -0.00 -1.26 -4.38 119.36 112.22 1j2q n ILE 116 Ca 0.31 -0.65 -0.02 0.00 -0.00 0.00 0.00 62.75 62.39 1j2q n ILE 116 Cb 1.22 0.36 -0.00 0.00 -0.00 0.00 0.00 39.64 41.22 1j2q n ILE 116 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1j2q n GLY 117 N 1.29 0.35 3.58 7.39 0.00 0.12 -3.61 105.19 114.31 1j2q n GLY 117 Ca 0.17 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1j2q n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j2q s GLY 118 N -2.92 1.65 -0.21 -0.02 0.00 -1.25 -4.76 107.32 99.81 1j2q s GLY 118 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 1j2q s GLY 118 CO 0.00 1.76 -0.04 0.00 0.00 0.00 0.00 173.10 174.82 1j2q s ALA 119 N 3.12 2.84 0.00 3.20 0.00 -1.26 -1.67 121.76 127.99 1j2q s ALA 119 Ca 0.31 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1j2q s ALA 119 Cb -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1j2q s ALA 119 CO 0.17 -0.36 0.00 -0.89 0.00 0.00 0.00 175.76 174.68 1j2q n ILE 120 N 4.67 0.00 -3.29 0.00 -0.00 0.14 -4.92 119.36 115.96 1j2q n ILE 120 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.56 1j2q n ILE 120 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.11 1j2q n ILE 120 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1j2q s GLU 121 N 4.74 0.49 0.00 0.38 8.01 0.13 -1.49 118.70 130.95 1j2q s GLU 121 Ca 0.00 0.91 0.17 0.00 0.01 0.00 0.00 54.97 56.06 1j2q s GLU 121 Cb 0.00 0.26 0.51 0.00 -4.31 0.00 0.00 34.13 30.59 1j2q s GLU 121 CO 0.00 -0.56 1.40 1.63 0.01 0.00 0.00 175.26 177.74 1j2q n LYS 121 N 5.41 1.93 0.06 1.61 5.02 -1.26 -3.47 118.16 127.46 1j2q n LYS 121 Ca -0.03 -1.43 0.00 0.00 -2.02 0.00 0.00 58.31 54.83 1j2q n LYS 121 Cb 0.50 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1j2q n LYS 121 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1j2q n ASP 122 N 0.65 -1.09 -4.27 4.39 5.68 -1.26 -4.82 116.55 115.83 1j2q n ASP 122 Ca 0.15 0.34 -0.26 0.00 -0.50 0.00 0.00 54.79 54.52 1j2q n ASP 122 Cb 0.37 1.26 -0.14 0.00 -1.14 0.00 0.00 41.12 41.47 1j2q n ASP 122 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1j2q s ILE 123 N -1.45 1.72 -0.28 2.12 -1.09 -1.26 -1.18 121.20 119.78 1j2q s ILE 123 Ca 0.00 -1.29 -0.24 0.00 -2.23 0.00 0.00 60.65 56.89 1j2q s ILE 123 Cb 0.00 -1.51 0.09 0.00 -1.58 0.00 0.00 42.46 39.46 1j2q s ILE 123 CO 0.00 0.17 0.84 0.54 -1.23 0.00 0.00 174.94 175.25 1j2q s VAL 124 N -0.87 0.00 0.09 2.92 0.11 -0.53 -4.96 120.40 117.16 1j2q s VAL 124 Ca 0.08 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 1j2q s VAL 124 Cb -0.09 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1j2q s VAL 124 CO 0.02 0.00 -0.12 0.00 -3.33 0.00 0.00 175.10 171.67 1j2q s ALA 125 N 0.49 1.14 0.00 1.54 0.00 -1.26 -0.37 121.76 123.30 1j2q s ALA 125 Ca -0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 1j2q s ALA 125 Cb -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1j2q s ALA 125 CO -0.04 0.06 0.14 0.99 0.00 0.00 0.00 175.76 176.91 1j2q s THR 127 N -1.84 0.08 0.00 0.00 2.01 0.19 -4.88 115.64 111.20 1j2q s THR 127 Ca 0.02 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1j2q s THR 127 Cb -0.07 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1j2q s THR 127 CO 0.01 -0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.17 1j2q n GLY 128 N 1.42 0.99 0.31 4.40 0.00 -1.26 -0.45 105.19 110.61 1j2q n GLY 128 Ca -0.23 -2.07 0.20 0.00 0.00 0.00 0.00 46.02 43.92 1j2q n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j2q h SER 129 N 0.00 0.00 -0.01 1.61 4.64 -0.89 -0.91 113.55 117.99 1j2q h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j2q h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1j2q h SER 129 CO 0.00 0.00 -0.74 0.61 -0.87 0.00 0.00 176.83 175.83 1j2q n GLY 130 N -1.14 -0.52 0.31 -0.77 0.00 0.08 -4.68 105.19 98.47 1j2q n GLY 130 Ca -0.03 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.49 1j2q n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j2q h SER 131 N 0.80 -0.61 -0.56 1.61 4.64 -1.28 -1.58 113.55 116.57 1j2q h SER 131 Ca 0.00 0.24 0.07 0.00 -0.47 0.00 0.00 61.79 61.63 1j2q h SER 131 Cb 0.54 0.47 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1j2q h SER 131 CO 0.00 -0.26 0.37 -0.07 -0.87 0.00 0.00 176.83 176.00 1j2q h LEU 132 N 0.03 0.43 -0.01 5.97 3.38 -1.83 0.49 115.31 123.77 1j2q h LEU 132 Ca 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 1j2q h LEU 132 Cb 0.76 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1j2q h LEU 132 CO -0.82 0.28 -0.20 0.74 0.09 0.00 0.00 178.44 178.53 1j2q h THR 133 N 0.49 1.55 -0.81 0.22 2.02 -1.66 -3.09 112.91 111.63 1j2q h THR 133 Ca 0.25 -1.89 0.11 0.00 0.77 0.00 0.00 66.41 65.65 1j2q h THR 133 Cb 0.34 2.75 -0.08 0.00 -1.74 0.00 0.00 68.15 69.42 1j2q h THR 133 CO -0.07 0.51 0.44 0.00 0.37 0.00 0.00 175.52 176.77 1j2q h ALA 134 N 0.27 1.18 -0.38 6.16 0.00 -0.80 0.21 119.26 125.89 1j2q h ALA 134 Ca -0.02 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1j2q h ALA 134 Cb 0.95 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1j2q h ALA 134 CO 0.04 0.00 0.26 1.88 0.00 0.00 0.00 179.25 181.44 1j2q h TYR 135 N 0.70 0.12 0.27 0.00 -1.99 -0.06 -1.49 116.97 114.53 1j2q h TYR 135 Ca 0.41 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.14 1j2q h TYR 135 Cb 0.47 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.13 1j2q h TYR 135 CO -0.08 0.06 -0.41 0.78 -0.00 0.00 0.00 178.16 178.51 1j2q h GLY 136 N 0.12 -1.17 1.12 3.88 0.00 -0.49 -0.26 103.07 106.28 1j2q h GLY 136 Ca 0.18 0.57 -0.15 0.00 0.00 0.00 0.00 47.33 47.93 1j2q h GLY 136 CO -0.02 -0.33 -0.34 -0.39 0.00 0.00 0.00 176.54 175.46 1j2q h VAL 137 N -0.72 1.27 -0.39 4.60 -1.51 -1.50 -2.83 116.25 115.17 1j2q h VAL 137 Ca -0.03 -1.51 0.07 0.00 -1.23 0.00 0.00 66.70 64.00 1j2q h VAL 137 Cb 0.66 1.32 -0.06 0.00 -2.13 0.00 0.00 31.29 31.08 1j2q h VAL 137 CO -0.13 0.51 0.01 -0.07 -1.23 0.00 0.00 177.57 176.67 1j2q h LEU 138 N 0.77 -0.13 0.00 4.19 3.38 -1.19 0.70 115.31 123.03 1j2q h LEU 138 Ca 0.07 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1j2q h LEU 138 Cb 0.93 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1j2q h LEU 138 CO 0.09 -0.03 0.00 1.21 0.09 0.00 0.00 178.44 179.80 1j2q n GLU 139 N -5.18 0.05 -0.09 1.13 2.13 -0.12 -1.78 120.64 116.78 1j2q n GLU 139 Ca 0.03 0.15 -0.17 0.00 0.66 0.00 0.00 57.16 57.83 1j2q n GLU 139 Cb 0.20 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.32 1j2q n GLU 139 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1j2q h ASP 140 N 0.00 0.00 0.23 4.31 -0.00 -0.68 -3.41 116.42 116.87 1j2q h ASP 140 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 57.03 56.66 1j2q h ASP 140 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.64 1j2q h ASP 140 CO 0.00 1.28 -0.43 0.54 -0.00 0.00 0.00 179.24 180.63 1j2q n ARG 141 N -4.49 0.61 -2.82 0.28 1.74 -0.27 -4.97 116.66 106.75 1j2q n ARG 141 Ca -0.25 -0.41 -0.37 0.00 -0.77 0.00 0.00 57.85 56.05 1j2q n ARG 141 Cb 0.56 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 1j2q n ARG 141 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1j2q s PHE 142 N -2.67 3.67 -0.07 -1.55 5.36 -0.73 -5.06 117.98 116.93 1j2q s PHE 142 Ca 0.18 1.73 -0.06 0.00 -0.96 0.00 0.00 56.93 57.83 1j2q s PHE 142 Cb 0.18 -2.89 0.02 0.00 -0.34 0.00 0.00 43.02 40.00 1j2q s PHE 142 CO 0.61 0.21 0.18 0.95 -1.46 0.00 0.00 175.22 175.71 1j2q s THR 143 N -1.64 -0.01 0.46 0.12 -4.23 -1.26 -5.00 115.64 104.09 1j2q s THR 143 Ca 0.50 0.02 0.22 0.00 -1.18 0.00 0.00 61.69 61.25 1j2q s THR 143 Cb -0.18 -0.27 0.41 0.00 1.34 0.00 0.00 72.50 73.81 1j2q s THR 143 CO 0.23 0.01 1.87 1.55 -0.54 0.00 0.00 174.62 177.74 1j2q h PRO 144 N 6.03 0.25 0.00 3.99 0.13 -1.97 0.40 132.00 140.83 1j2q h PRO 144 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1j2q h PRO 144 Cb 1.19 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1j2q h PRO 144 CO 0.39 0.16 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 1j2q n GLU 145 N -4.43 0.55 -1.70 0.86 4.71 -1.26 -3.68 120.64 115.68 1j2q n GLU 145 Ca 0.18 0.03 -0.41 0.00 -0.01 0.00 0.00 57.16 56.96 1j2q n GLU 145 Cb 0.77 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.72 1j2q n GLU 145 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1j2q n ILE 146 N -1.11 2.69 -3.95 -3.67 3.06 0.13 -4.67 119.36 111.83 1j2q n ILE 146 Ca 0.14 -0.50 -0.29 0.00 -2.50 0.00 0.00 62.75 59.60 1j2q n ILE 146 Cb 0.11 -1.58 -0.04 0.00 0.54 0.00 0.00 39.64 38.68 1j2q n ILE 146 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1j2q s GLY 147 N -0.57 1.97 0.42 4.50 0.00 -1.26 -2.31 107.32 110.07 1j2q s GLY 147 Ca 0.62 -0.95 0.22 0.00 0.00 0.00 0.00 44.72 44.61 1j2q s GLY 147 CO 0.57 -0.94 1.76 -0.39 0.00 0.00 0.00 173.10 174.10 1j2q h VAL 148 N 1.98 0.45 -0.61 1.40 -1.51 -1.92 0.25 116.25 116.30 1j2q h VAL 148 Ca -0.47 -0.10 -0.08 0.00 -1.23 0.00 0.00 66.70 64.82 1j2q h VAL 148 Cb 1.17 0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.44 1j2q h VAL 148 CO 0.72 0.05 0.06 0.44 -1.23 0.00 0.00 177.57 177.61 1j2q h ASP 149 N 0.30 0.97 1.14 4.19 3.45 -1.96 -1.53 116.42 122.98 1j2q h ASP 149 Ca 0.62 -0.24 -0.03 0.00 0.43 0.00 0.00 57.03 57.81 1j2q h ASP 149 Cb 1.75 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 40.26 1j2q h ASP 149 CO -0.28 0.99 -0.88 1.05 -1.57 0.00 0.00 179.24 178.56 1j2q h GLU 150 N 0.94 0.00 -0.46 3.56 4.11 -1.71 -3.29 114.58 117.72 1j2q h GLU 150 Ca 0.18 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.55 1j2q h GLU 150 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1j2q h GLU 150 CO 0.02 0.07 0.03 0.00 0.07 0.00 0.00 179.01 179.19 1j2q h ALA 151 N 1.88 1.18 -0.05 1.06 0.00 -0.66 0.74 119.26 123.42 1j2q h ALA 151 Ca -0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1j2q h ALA 151 Cb 1.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1j2q h ALA 151 CO 0.01 0.54 -0.45 -0.39 0.00 0.00 0.00 179.25 178.96 1j2q h VAL 152 N 0.70 1.32 -0.11 0.00 -1.51 -1.36 0.86 116.25 116.16 1j2q h VAL 152 Ca 0.14 -1.57 -0.03 0.00 -1.23 0.00 0.00 66.70 64.01 1j2q h VAL 152 Cb 0.39 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1j2q h VAL 152 CO 0.01 0.46 -0.05 -0.08 -1.23 0.00 0.00 177.57 176.68 1j2q h GLU 153 N 0.09 0.22 -0.61 5.19 4.81 -1.43 -1.64 114.58 121.20 1j2q h GLU 153 Ca 0.01 -0.10 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1j2q h GLU 153 Cb 0.83 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.13 1j2q h GLU 153 CO 0.06 0.57 0.25 1.25 -0.73 0.00 0.00 179.01 180.41 1j2q h LEU 154 N -0.14 0.28 0.19 1.64 5.85 -0.51 0.13 115.31 122.76 1j2q h LEU 154 Ca 0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1j2q h LEU 154 Cb 0.50 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1j2q h LEU 154 CO 0.02 0.17 -0.18 0.00 -0.34 0.00 0.00 178.44 178.11 1j2q h ALA 155 N 1.40 -0.36 -0.44 1.25 0.00 -0.71 0.38 119.26 120.78 1j2q h ALA 155 Ca 0.30 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1j2q h ALA 155 Cb 0.35 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1j2q h ALA 155 CO -0.28 -0.72 0.29 0.28 0.00 0.00 0.00 179.25 178.82 1j2q h VAL 156 N -0.39 1.08 0.18 0.00 2.07 -0.71 -0.87 116.25 117.61 1j2q h VAL 156 Ca -0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1j2q h VAL 156 Cb 0.36 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1j2q h VAL 156 CO -0.04 0.10 -0.09 -0.09 0.02 0.00 0.00 177.57 177.47 1j2q h ARG 157 N 0.55 -0.24 -0.20 1.57 2.43 -0.08 -1.26 114.38 117.15 1j2q h ARG 157 Ca 0.17 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1j2q h ARG 157 Cb 0.02 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1j2q h ARG 157 CO -0.04 -0.05 0.07 0.00 -1.51 0.00 0.00 179.97 178.45 1j2q h ALA 158 N 0.41 0.27 0.00 2.80 0.00 -0.38 -2.12 119.26 120.22 1j2q h ALA 158 Ca -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1j2q h ALA 158 Cb 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1j2q h ALA 158 CO 0.04 -0.13 -0.11 0.82 0.00 0.00 0.00 179.25 179.87 1j2q h ILE 159 N 0.17 0.45 -0.22 0.00 2.04 -1.18 -1.88 117.51 116.88 1j2q h ILE 159 Ca 0.07 -0.58 -0.19 0.00 1.00 0.00 0.00 64.86 65.15 1j2q h ILE 159 Cb 0.20 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1j2q h ILE 159 CO -0.00 0.11 -0.63 0.22 0.00 0.00 0.00 178.15 177.85 1j2q h TYR 160 N 0.00 1.01 -0.02 1.37 3.20 -0.76 -1.97 116.97 119.80 1j2q h TYR 160 Ca -0.00 -0.39 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 1j2q h TYR 160 Cb 0.39 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1j2q h TYR 160 CO 0.00 1.20 0.00 0.77 -1.64 0.00 0.00 178.16 178.50 1j2q h SER 161 N 0.58 0.03 -0.92 -2.11 0.02 -0.76 -3.05 113.55 107.35 1j2q h SER 161 Ca -0.01 -0.25 0.09 0.00 -0.84 0.00 0.00 61.79 60.78 1j2q h SER 161 Cb 1.23 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.70 1j2q h SER 161 CO 0.13 0.27 0.59 0.00 -1.14 0.00 0.00 176.83 176.68 1j2q h ALA 162 N 0.76 1.58 0.00 3.77 0.00 -1.35 0.99 119.26 125.02 1j2q h ALA 162 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j2q h ALA 162 Cb 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j2q h ALA 162 CO 0.00 0.24 0.00 0.52 0.00 0.00 0.00 179.25 180.01 1j2q h MET 163 N 0.95 0.00 0.00 0.00 2.07 -1.24 -1.08 114.93 115.63 1j2q h MET 163 Ca 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.05 1j2q h MET 163 Cb 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.08 1j2q h MET 163 CO -0.18 0.00 -0.07 0.87 1.07 0.00 0.00 176.91 178.61 1j2q h LYS 164 N 0.00 0.00 0.00 1.72 1.57 -0.78 -3.36 116.57 115.72 1j2q h LYS 164 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j2q h LYS 164 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1j2q h LYS 164 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1j2q n ARG 165 N -2.70 -0.27 -4.03 3.15 5.12 -0.84 -4.96 116.66 112.13 1j2q n ARG 165 Ca 0.04 -0.27 -0.31 0.00 -1.93 0.00 0.00 57.85 55.38 1j2q n ARG 165 Cb 0.49 -0.76 -0.15 0.00 -1.16 0.00 0.00 32.46 30.88 1j2q n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1j2q s ASP 166 N -0.04 4.58 0.00 0.55 3.68 -0.47 -4.97 116.67 120.00 1j2q s ASP 166 Ca 0.00 -1.79 0.10 0.00 2.13 0.00 0.00 52.55 52.99 1j2q s ASP 166 Cb 0.00 -1.56 0.45 0.00 -1.45 0.00 0.00 42.92 40.37 1j2q s ASP 166 CO 0.00 -0.30 1.31 -1.54 0.13 0.00 0.00 175.17 174.78 1j2q n SER 167 N 4.36 0.00 -0.20 -0.34 3.41 -1.26 -1.63 113.62 117.96 1j2q n SER 167 Ca -0.04 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 1j2q n SER 167 Cb 0.42 -0.46 0.38 0.00 -0.26 0.00 0.00 64.21 64.29 1j2q n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j2q n ALA 168 N -1.46 3.11 -2.32 7.33 0.00 -1.26 -4.89 120.51 121.02 1j2q n ALA 168 Ca 0.03 -0.38 -0.23 0.00 0.00 0.00 0.00 53.44 52.86 1j2q n ALA 168 Cb 0.11 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 1j2q n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1j2q s SER 169 N -2.57 4.77 0.00 0.00 0.01 -0.64 -0.62 113.70 114.64 1j2q s SER 169 Ca 0.23 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1j2q s SER 169 Cb 0.19 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1j2q s SER 169 CO 0.54 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1j2q n GLY 170 N -1.45 0.37 3.90 3.44 0.00 -1.26 -4.89 105.19 105.30 1j2q n GLY 170 Ca 0.01 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1j2q n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j2q n ASP 171 N 0.29 0.00 0.00 1.61 10.43 -1.26 -2.55 116.55 125.07 1j2q n ASP 171 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1j2q n ASP 171 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1j2q n ASP 171 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j2q n GLY 172 N -1.86 -2.19 3.35 0.44 0.00 -1.26 -4.87 105.19 98.80 1j2q n GLY 172 Ca 0.00 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 1j2q n GLY 172 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j2q s ILE 173 N -2.18 -0.02 0.05 -0.61 2.07 -1.26 -2.73 121.20 116.52 1j2q s ILE 173 Ca 0.00 0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.23 1j2q s ILE 173 Cb 0.00 -0.69 -0.05 0.00 0.13 0.00 0.00 42.46 41.85 1j2q s ILE 173 CO 0.00 0.03 0.35 -1.81 -1.91 0.00 0.00 174.94 171.60 1j2q s ASP 174 N 1.42 6.58 0.05 4.50 -0.00 0.27 -4.92 116.67 124.58 1j2q s ASP 174 Ca -0.09 0.70 0.02 0.00 -0.00 0.00 0.00 52.55 53.17 1j2q s ASP 174 Cb -0.08 -2.14 -0.03 0.00 -0.00 0.00 0.00 42.92 40.68 1j2q s ASP 174 CO -0.14 0.21 -0.07 -0.69 -0.00 0.00 0.00 175.17 174.48 1j2q s VAL 175 N -1.35 0.50 -0.06 -1.27 1.01 -1.26 -1.66 120.40 116.31 1j2q s VAL 175 Ca 0.31 -1.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1j2q s VAL 175 Cb -0.14 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.49 1j2q s VAL 175 CO 0.17 -0.50 0.13 -0.69 0.00 0.00 0.00 175.10 174.21 1j2q s VAL 176 N -1.87 -0.04 -0.11 2.92 1.01 0.49 -3.12 120.40 119.69 1j2q s VAL 176 Ca -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 1j2q s VAL 176 Cb -0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1j2q s VAL 176 CO -0.01 0.05 -0.07 -0.75 0.00 0.00 0.00 175.10 174.32 1j2q s LYS 177 N 0.86 3.15 -0.40 2.72 2.20 0.12 -1.63 119.74 126.76 1j2q s LYS 177 Ca -0.07 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 1j2q s LYS 177 Cb -0.09 -2.69 0.12 0.00 -1.51 0.00 0.00 37.83 33.66 1j2q s LYS 177 CO -0.04 0.44 0.16 0.42 -0.36 0.00 0.00 175.35 175.98 1j2q s ILE 178 N -0.21 1.68 -0.20 5.43 1.01 0.86 -0.52 121.20 129.25 1j2q s ILE 178 Ca 0.03 -2.36 -0.22 0.00 0.00 0.00 0.00 60.65 58.10 1j2q s ILE 178 Cb -0.13 -2.21 -0.19 0.00 0.01 0.00 0.00 42.46 39.94 1j2q s ILE 178 CO 0.03 -0.76 0.25 0.00 0.00 0.00 0.00 174.94 174.46 1j2q h THR 179 N 5.91 0.96 0.00 2.92 1.03 -1.51 -1.56 112.91 120.66 1j2q h THR 179 Ca -0.06 -2.16 0.00 0.00 -0.01 0.00 0.00 66.41 64.18 1j2q h THR 179 Cb 0.96 2.26 0.00 0.00 -1.07 0.00 0.00 68.15 70.30 1j2q h THR 179 CO 0.53 0.33 0.00 1.21 -0.01 0.00 0.00 175.52 177.57 1j2q n GLU 180 N -4.45 0.00 0.00 0.00 2.13 -1.26 -4.63 120.64 112.43 1j2q n GLU 180 Ca -0.30 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.68 1j2q n GLU 180 Cb 0.65 0.00 0.83 0.00 0.27 0.00 0.00 31.44 33.19 1j2q n GLU 180 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1j2q n ASP 181 N 0.00 0.15 -3.62 4.31 9.92 -1.26 -4.89 116.55 121.16 1j2q n ASP 181 Ca 0.00 -0.73 -0.03 0.00 -0.53 0.00 0.00 54.79 53.50 1j2q n ASP 181 Cb 0.00 -0.09 -0.01 0.00 -0.64 0.00 0.00 41.12 40.37 1j2q n ASP 181 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1j2q s GLU 182 N -2.22 0.65 -0.35 -1.24 2.12 -1.26 -5.08 118.70 111.32 1j2q s GLU 182 Ca 0.39 -0.31 -0.01 0.00 0.36 0.00 0.00 54.97 55.40 1j2q s GLU 182 Cb 0.21 0.25 0.12 0.00 0.26 0.00 0.00 34.13 34.97 1j2q s GLU 182 CO 0.41 -0.29 0.17 0.12 -0.54 0.00 0.00 175.26 175.12 1j2q s PHE 183 N -2.77 1.21 -0.05 5.30 5.36 -1.26 -1.44 117.98 124.33 1j2q s PHE 183 Ca 0.11 -1.68 -0.01 0.00 -0.96 0.00 0.00 56.93 54.38 1j2q s PHE 183 Cb 0.01 -1.36 -0.04 0.00 -0.34 0.00 0.00 43.02 41.29 1j2q s PHE 183 CO -0.04 -0.83 0.04 -0.47 -1.46 0.00 0.00 175.22 172.46 1j2q s TYR 184 N 1.29 3.22 -0.21 10.12 6.04 0.32 -4.96 117.35 133.17 1j2q s TYR 184 Ca 0.14 0.21 0.01 0.00 0.04 0.00 0.00 57.07 57.46 1j2q s TYR 184 Cb -0.20 -1.77 0.05 0.00 -1.04 0.00 0.00 41.96 39.00 1j2q s TYR 184 CO -0.15 0.52 -0.09 -1.14 -1.54 0.00 0.00 175.55 173.15 1j2q s GLN 185 N -1.27 1.98 0.58 4.97 0.74 -1.26 -0.70 119.66 124.70 1j2q s GLN 185 Ca 0.17 -0.94 0.26 0.00 0.05 0.00 0.00 55.36 54.90 1j2q s GLN 185 Cb -0.12 -2.51 1.39 0.00 1.10 0.00 0.00 33.01 32.87 1j2q s GLN 185 CO 0.07 -0.48 1.76 1.88 -0.55 0.00 0.00 175.29 177.98 1j2q h TYR 186 N 7.94 0.00 -2.50 1.67 -1.99 -1.96 -3.49 116.97 116.64 1j2q h TYR 186 Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 1j2q h TYR 186 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1j2q h TYR 186 CO 0.52 0.00 -0.61 0.43 -0.00 0.00 0.00 178.16 178.50 1j2q n SER 187 N -2.68 -6.18 -0.68 3.88 7.64 -1.26 -3.66 113.62 110.68 1j2q n SER 187 Ca -0.02 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1j2q n SER 187 Cb 0.36 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1j2q n SER 187 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1j2q n PRO 188 N -0.80 0.00 0.00 1.43 -0.04 -1.26 -2.31 135.00 132.02 1j2q n PRO 188 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j2q n PRO 188 Cb 0.00 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1j2q n PRO 188 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1j2q n GLU 188 N 0.13 0.00 -0.03 0.54 1.02 -1.24 0.08 120.64 121.14 1j2q n GLU 188 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1j2q n GLU 188 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 1j2q n GLU 188 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1j2q h VAL 189 N 0.00 1.43 -0.48 2.62 2.07 -1.64 -2.14 116.25 118.11 1j2q h VAL 189 Ca 0.00 -1.51 0.14 0.00 0.82 0.00 0.00 66.70 66.15 1j2q h VAL 189 Cb 0.00 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1j2q h VAL 189 CO 0.00 0.42 0.42 -0.08 0.02 0.00 0.00 177.57 178.35 1j2q h GLU 190 N -0.29 0.00 0.00 1.57 4.57 -0.61 0.54 114.58 120.35 1j2q h GLU 190 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1j2q h GLU 190 Cb 0.76 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1j2q h GLU 190 CO 0.03 0.00 -0.88 0.37 -1.18 0.00 0.00 179.01 177.35 1j2q h GLN 191 N 0.00 0.00 0.17 1.92 4.15 -1.76 -3.01 115.11 116.58 1j2q h GLN 191 Ca 0.23 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.33 1j2q h GLN 191 Cb 1.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.77 1j2q h GLN 191 CO -0.00 0.01 -1.48 0.82 -1.93 0.00 0.00 178.83 176.25 1j2q h ILE 192 N 0.00 1.24 -0.00 2.39 2.04 0.70 -3.21 117.51 120.67 1j2q h ILE 192 Ca -0.01 -2.80 0.00 0.00 1.00 0.00 0.00 64.86 63.06 1j2q h ILE 192 Cb 1.02 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1j2q h ILE 192 CO 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 178.15 178.87 1j2q n LEU 193 N -3.56 0.34 0.23 1.44 -0.00 -0.33 -3.17 117.00 111.95 1j2q n LEU 193 Ca -0.16 0.12 0.09 0.00 -0.00 0.00 0.00 56.01 56.06 1j2q n LEU 193 Cb 1.06 -0.26 0.55 0.00 -0.00 0.00 0.00 43.42 44.77 1j2q n LEU 193 CO 0.54 0.07 0.85 0.00 -0.00 0.00 0.00 177.39 178.85 1j2q h ALA 194 N 3.41 1.21 -0.01 1.47 0.00 -1.36 -0.98 119.26 123.01 1j2q h ALA 194 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1j2q h ALA 194 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1j2q h ALA 194 CO 0.00 0.28 0.00 1.63 0.00 0.00 0.00 179.25 181.16 1j2q n LYS 195 N -3.67 1.02 0.00 0.00 5.02 -1.19 -4.27 118.16 115.07 1j2q n LYS 195 Ca -0.01 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1j2q n LYS 195 Cb 0.34 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1j2q n LYS 195 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1j2q n PHE 196 N -0.34 0.00 -0.73 2.13 0.99 -0.38 -5.07 117.46 114.06 1j2q n PHE 196 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1j2q n PHE 196 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.56 1j2q n PHE 196 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1j2q n ARG 197 N -1.15 0.02 0.00 -1.08 3.00 -1.17 -5.17 116.66 111.12 1j2q n ARG 197 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1j2q n ARG 197 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1j2q n ARG 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26