#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 -0.52 0.02 12.58 -1.32 -1.24 -0.18 115.64 124.97 1j2q s THR 2 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 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 -0.08 0.42 -2.21 0.00 0.00 174.62 172.75 1j2q s THR 3 N 2.29 0.61 0.22 5.08 -4.23 0.12 -2.78 115.64 116.95 1j2q s THR 3 Ca -0.07 -0.67 0.07 0.00 -1.18 0.00 0.00 61.69 59.84 1j2q s THR 3 Cb -0.08 -0.58 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 1j2q s THR 3 CO -0.19 -0.06 -0.12 0.68 -0.54 0.00 0.00 174.62 174.39 1j2q s VAL 4 N -0.68 1.68 -0.16 2.29 -7.23 -0.18 0.85 120.40 116.96 1j2q s VAL 4 Ca -0.02 -2.19 -0.10 0.00 -1.81 0.00 0.00 61.98 57.87 1j2q s VAL 4 Cb -0.06 -2.12 0.05 0.00 0.56 0.00 0.00 36.38 34.81 1j2q s VAL 4 CO 0.00 -0.54 0.40 -0.83 -0.31 0.00 0.00 175.10 173.82 1j2q s GLY 5 N -3.33 -0.31 -0.01 2.32 0.00 0.99 -1.43 107.32 105.55 1j2q s GLY 5 Ca 0.24 1.42 0.01 0.00 0.00 0.00 0.00 44.72 46.39 1j2q s GLY 5 CO 0.08 1.52 -0.04 0.48 0.00 0.00 0.00 173.10 175.14 1j2q s LEU 6 N 1.17 1.78 -0.37 0.66 2.34 -0.20 -1.38 118.68 122.67 1j2q s LEU 6 Ca -0.08 -0.08 -0.17 0.00 0.06 0.00 0.00 54.13 53.86 1j2q s LEU 6 Cb -0.07 -0.27 0.00 0.00 -0.56 0.00 0.00 46.19 45.29 1j2q s LEU 6 CO -0.10 0.02 0.42 0.68 -1.06 0.00 0.00 176.35 176.31 1j2q s VAL 7 N 0.21 5.10 0.65 1.48 -7.23 -0.35 -1.43 120.40 118.83 1j2q s VAL 7 Ca -0.02 -0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.12 1j2q s VAL 7 Cb -0.06 -3.94 0.09 0.00 0.56 0.00 0.00 36.38 33.04 1j2q s VAL 7 CO -0.00 -0.25 0.89 0.00 -0.31 0.00 0.00 175.10 175.43 1j2q h LYS 9 N -0.23 0.05 -0.43 0.00 2.10 -1.53 -3.26 116.57 113.27 1j2q h LYS 9 Ca -0.37 -0.02 -0.27 0.00 -2.00 0.00 0.00 60.65 57.99 1j2q h LYS 9 Cb 1.28 -0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.44 1j2q h LYS 9 CO 0.43 0.48 -0.21 -0.40 -2.00 0.00 0.00 179.45 177.75 1j2q n ASP 10 N -4.01 3.22 0.00 7.07 5.75 -1.26 -5.08 116.55 122.24 1j2q n ASP 10 Ca -0.02 -3.81 0.00 0.00 -0.01 0.00 0.00 54.79 50.96 1j2q n ASP 10 Cb 0.47 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 -1.03 0.77 2.99 6.12 0.00 -1.23 -4.65 105.19 108.17 1j2q n GLY 11 Ca 0.36 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.06 0.52 -0.02 1.61 1.01 0.02 -0.93 120.40 119.54 1j2q s VAL 12 Ca 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1j2q s VAL 12 Cb 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1j2q s VAL 12 CO 0.00 0.07 -0.19 -0.69 0.00 0.00 0.00 175.10 174.29 1j2q s VAL 13 N -0.33 1.53 -0.03 2.92 1.01 -0.51 -0.06 120.40 124.93 1j2q s VAL 13 Ca 0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1j2q s VAL 13 Cb -0.04 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1j2q s VAL 13 CO -0.00 0.43 0.09 -0.04 0.00 0.00 0.00 175.10 175.58 1j2q s MET 14 N -0.37 0.09 0.10 2.72 -1.94 -0.73 -1.04 119.30 118.13 1j2q s MET 14 Ca 0.05 0.14 -0.09 0.00 -1.71 0.00 0.00 55.69 54.09 1j2q s MET 14 Cb -0.08 0.01 -0.00 0.00 2.01 0.00 0.00 34.83 36.77 1j2q s MET 14 CO -0.00 -0.03 0.21 0.00 -0.01 0.00 0.00 175.02 175.18 1j2q s ALA 15 N 0.20 -0.19 0.19 3.03 0.00 -0.51 -0.61 121.76 123.87 1j2q s ALA 15 Ca -0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 1j2q s ALA 15 Cb -0.02 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1j2q s ALA 15 CO -0.01 -0.53 0.49 0.95 0.00 0.00 0.00 175.76 176.66 1j2q s THR 16 N -3.88 0.03 0.14 0.00 -4.23 -0.60 -1.02 115.64 106.08 1j2q s THR 16 Ca 0.07 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1j2q s THR 16 Cb 0.05 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 72.30 1j2q s THR 16 CO -0.09 -0.14 0.19 -1.84 -0.54 0.00 0.00 174.62 172.20 1j2q n GLU 17 N -0.32 0.84 -0.25 3.99 -0.00 -1.12 -0.81 120.64 122.97 1j2q n GLU 17 Ca -0.10 -0.70 0.09 0.00 -0.00 0.00 0.00 57.16 56.45 1j2q n GLU 17 Cb 0.62 -0.07 0.19 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 -1.31 2.02 -3.57 3.44 4.76 -1.03 -4.74 118.16 117.74 1j2q n LYS 18 Ca 0.04 -2.71 -0.37 0.00 -2.87 0.00 0.00 58.31 52.40 1j2q n LYS 18 Cb 0.14 -1.66 -0.06 0.00 -1.84 0.00 0.00 35.03 31.61 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 -2.87 3.81 -0.08 1.97 3.52 -1.06 -1.35 118.95 122.90 1j2q s ARG 19 Ca 0.37 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1j2q s ARG 19 Cb 0.31 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.59 1j2q s ARG 19 CO 0.06 0.65 -0.07 0.00 -0.81 0.00 0.00 175.30 175.13 1j2q s ALA 20 N -1.20 1.03 0.26 6.12 0.00 -0.49 -4.44 121.76 123.04 1j2q s ALA 20 Ca 0.26 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1j2q s ALA 20 Cb -0.15 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1j2q s ALA 20 CO 0.14 -0.18 -0.06 0.95 0.00 0.00 0.00 175.76 176.60 1j2q s THR 21 N 1.28 1.55 -0.36 0.00 -4.23 -1.26 -0.27 115.64 112.35 1j2q s THR 21 Ca -0.04 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.36 1j2q s THR 21 Cb -0.14 -2.35 0.15 0.00 1.34 0.00 0.00 72.50 71.50 1j2q s THR 21 CO -0.03 -0.36 0.29 -0.32 -0.54 0.00 0.00 174.62 173.66 1j2q s MET 22 N -3.74 0.59 5.86 3.99 1.75 -0.58 -4.87 119.30 122.31 1j2q s MET 22 Ca 0.28 -1.09 0.00 0.00 -1.25 0.00 0.00 55.69 53.63 1j2q s MET 22 Cb 0.03 -1.01 0.00 0.00 2.84 0.00 0.00 34.83 36.69 1j2q s MET 22 CO 0.10 -1.20 0.00 0.41 -0.65 0.00 0.00 175.02 173.68 1j2q n GLY 23 N 4.15 1.08 0.35 2.11 0.00 -1.26 -2.63 105.19 108.99 1j2q n GLY 23 Ca 0.11 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 6.72 1.70 -4.67 1.61 5.03 -1.26 -4.91 115.26 119.47 1j2q n ASN 24 Ca 0.00 -1.35 -0.42 0.00 0.87 0.00 0.00 54.58 53.68 1j2q n ASN 24 Cb 0.00 0.61 -0.03 0.00 -1.02 0.00 0.00 39.78 39.34 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 -2.48 2.49 -0.57 3.10 5.36 -1.08 -4.95 117.98 119.84 1j2q s PHE 25 Ca 0.15 0.61 -0.24 0.00 -0.96 0.00 0.00 56.93 56.49 1j2q s PHE 25 Cb 0.16 -3.73 0.05 0.00 -0.34 0.00 0.00 43.02 39.17 1j2q s PHE 25 CO 0.61 -2.83 0.94 0.42 -1.46 0.00 0.00 175.22 172.90 1j2q s ILE 26 N 3.35 4.38 0.02 3.12 1.01 -1.26 -1.52 121.20 130.30 1j2q s ILE 26 Ca 0.65 0.14 0.10 0.00 0.00 0.00 0.00 60.65 61.54 1j2q s ILE 26 Cb -0.30 -4.56 -0.14 0.00 0.01 0.00 0.00 42.46 37.47 1j2q s ILE 26 CO 0.25 -1.18 1.23 0.00 0.00 0.00 0.00 174.94 175.24 1j2q h ALA 27 N 9.36 0.49 -2.69 9.38 0.00 -0.97 -3.47 119.26 131.36 1j2q h ALA 27 Ca -0.27 -0.86 -0.12 0.00 0.00 0.00 0.00 54.91 53.67 1j2q h ALA 27 Cb 1.07 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.57 1j2q h ALA 27 CO 1.10 1.12 -0.23 0.45 0.00 0.00 0.00 179.25 181.70 1j2q s SER 28 N -6.54 -0.46 0.00 0.00 0.15 -0.76 -4.97 113.70 101.13 1j2q s SER 28 Ca 0.01 0.87 0.21 0.00 0.70 0.00 0.00 55.95 57.73 1j2q s SER 28 Cb 0.09 0.86 0.01 0.00 -1.71 0.00 0.00 66.02 65.27 1j2q s SER 28 CO 0.80 -0.16 1.03 0.29 1.20 0.00 0.00 173.24 176.41 1j2q n LYS 29 N 3.09 1.45 -2.45 5.44 4.76 -1.25 -1.40 118.16 127.79 1j2q n LYS 29 Ca -0.15 -1.04 -0.00 0.00 -2.87 0.00 0.00 58.31 54.24 1j2q n LYS 29 Cb 0.57 -1.41 0.04 0.00 -1.84 0.00 0.00 35.03 32.39 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 0.10 2.67 -1.77 7.82 0.00 -0.96 -4.59 120.51 123.78 1j2q n ALA 30 Ca 0.09 -2.72 -0.39 0.00 0.00 0.00 0.00 53.44 50.42 1j2q n ALA 30 Cb 0.44 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.91 3.24 -0.12 0.00 0.00 -0.46 -4.98 121.76 116.54 1j2q s ALA 31 Ca 0.30 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 53.30 1j2q s ALA 31 Cb 0.34 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1j2q s ALA 31 CO -0.07 -0.87 0.62 0.21 0.00 0.00 0.00 175.76 175.66 1j2q s LYS 32 N -2.28 4.35 -0.01 0.00 2.20 -1.26 -4.56 119.74 118.17 1j2q s LYS 32 Ca 0.58 0.69 0.02 0.00 -0.36 0.00 0.00 55.97 56.90 1j2q s LYS 32 Cb -0.38 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.48 1j2q s LYS 32 CO 0.49 0.00 0.76 1.63 -0.36 0.00 0.00 175.35 177.88 1j2q n LYS 33 N 4.12 0.88 -4.07 4.03 5.02 -1.26 -4.98 118.16 121.90 1j2q n LYS 33 Ca -0.03 -1.01 -0.25 0.00 -2.02 0.00 0.00 58.31 55.00 1j2q n LYS 33 Cb 0.51 -0.71 -0.17 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.49 0.95 0.15 -0.18 -1.16 -1.26 -1.45 121.20 117.75 1j2q s ILE 34 Ca 0.03 -0.28 0.11 0.00 -0.51 0.00 0.00 60.65 60.00 1j2q s ILE 34 Cb 0.02 -0.96 -0.04 0.00 0.61 0.00 0.00 42.46 42.09 1j2q s ILE 34 CO 0.00 0.34 -0.26 -0.31 -2.81 0.00 0.00 174.94 171.91 1j2q s TYR 35 N 1.43 2.31 -0.25 3.50 2.02 0.12 -4.96 117.35 121.53 1j2q s TYR 35 Ca -0.01 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.21 1j2q s TYR 35 Cb -0.13 -1.22 -0.05 0.00 -0.40 0.00 0.00 41.96 40.16 1j2q s TYR 35 CO -0.05 0.39 0.17 -1.14 -1.57 0.00 0.00 175.55 173.35 1j2q s GLN 36 N -2.23 4.04 -0.23 -0.62 0.74 -1.26 -0.63 119.66 119.46 1j2q s GLN 36 Ca 0.16 -0.27 -0.18 0.00 0.05 0.00 0.00 55.36 55.12 1j2q s GLN 36 Cb -0.09 -3.57 -0.15 0.00 1.10 0.00 0.00 33.01 30.29 1j2q s GLN 36 CO 0.07 -0.00 -0.02 -0.89 -0.55 0.00 0.00 175.29 173.90 1j2q n ILE 37 N 4.49 1.53 -4.14 -2.34 2.08 0.03 -4.94 119.36 116.06 1j2q n ILE 37 Ca -0.15 -0.13 -0.07 0.00 0.56 0.00 0.00 62.75 62.96 1j2q n ILE 37 Cb 0.52 -2.02 -0.02 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 -3.74 0.19 -0.28 -1.39 0.00 -1.12 -4.72 120.51 109.45 1j2q n ALA 38 Ca -0.38 -0.63 -0.04 0.00 0.00 0.00 0.00 53.44 52.39 1j2q n ALA 38 Cb 0.72 0.44 0.11 0.00 0.00 0.00 0.00 19.45 20.73 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 0.52 1.05 -0.66 0.00 3.32 -1.97 -3.14 116.42 115.55 1j2q h ASP 39 Ca -0.09 -0.12 -0.48 0.00 0.02 0.00 0.00 57.03 56.35 1j2q h ASP 39 Cb 0.37 -0.27 -0.38 0.00 0.22 0.00 0.00 39.33 39.27 1j2q h ASP 39 CO 0.15 0.88 -0.80 0.54 -1.72 0.00 0.00 179.24 178.29 1j2q n ARG 40 N -4.31 3.32 -3.75 3.56 5.12 -1.26 -4.64 116.66 114.70 1j2q n ARG 40 Ca 0.08 -4.05 -0.15 0.00 -1.93 0.00 0.00 57.85 51.81 1j2q n ARG 40 Cb 0.14 -2.18 -0.15 0.00 -1.16 0.00 0.00 32.46 29.11 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 -3.55 0.03 0.35 5.56 1.75 -1.19 -0.41 119.30 121.84 1j2q s MET 41 Ca 0.49 0.31 0.05 0.00 -1.25 0.00 0.00 55.69 55.28 1j2q s MET 41 Cb 0.40 -0.23 -0.07 0.00 2.84 0.00 0.00 34.83 37.78 1j2q s MET 41 CO 0.02 -0.18 0.03 0.00 -0.65 0.00 0.00 175.02 174.25 1j2q s ALA 42 N 1.23 2.67 -0.10 4.11 0.00 0.15 -0.79 121.76 129.03 1j2q s ALA 42 Ca -0.08 -2.15 -0.06 0.00 0.00 0.00 0.00 51.96 49.67 1j2q s ALA 42 Cb -0.12 0.44 0.04 0.00 0.00 0.00 0.00 23.12 23.48 1j2q s ALA 42 CO -0.05 -0.22 0.24 1.41 0.00 0.00 0.00 175.76 177.15 1j2q s MET 43 N -3.81 0.23 0.04 0.00 1.75 0.19 -1.26 119.30 116.44 1j2q s MET 43 Ca 0.36 0.47 0.04 0.00 -1.25 0.00 0.00 55.69 55.31 1j2q s MET 43 Cb 0.09 -0.05 -0.04 0.00 2.84 0.00 0.00 34.83 37.68 1j2q s MET 43 CO 0.16 -0.12 -0.04 0.95 -0.65 0.00 0.00 175.02 175.31 1j2q s THR 44 N 0.93 3.78 -0.12 10.11 -4.23 0.52 0.12 115.64 126.74 1j2q s THR 44 Ca -0.07 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.58 1j2q s THR 44 Cb -0.08 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.07 1j2q s THR 44 CO -0.06 0.27 -0.17 0.42 -0.54 0.00 0.00 174.62 174.54 1j2q s THR 45 N -1.13 1.69 0.02 3.99 -4.23 -0.53 -1.51 115.64 113.94 1j2q s THR 45 Ca 0.20 -0.76 0.08 0.00 -1.18 0.00 0.00 61.69 60.04 1j2q s THR 45 Cb -0.11 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 72.18 1j2q s THR 45 CO 0.12 0.48 -0.24 0.00 -0.54 0.00 0.00 174.62 174.44 1j2q s ALA 46 N 0.94 2.02 0.00 3.99 0.00 -0.64 -4.86 121.76 123.21 1j2q s ALA 46 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1j2q s ALA 46 Cb -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1j2q s ALA 46 CO -0.02 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1j2q n GLY 47 N 2.03 0.29 3.67 0.00 0.00 -1.26 0.11 105.19 110.03 1j2q n GLY 47 Ca -0.17 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 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 6.67 0.11 1.61 0.15 0.13 -4.91 113.70 113.46 1j2q s SER 48 Ca 0.00 2.30 -0.30 0.00 0.70 0.00 0.00 55.95 58.65 1j2q s SER 48 Cb 0.00 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.67 1j2q s SER 48 CO 0.00 -0.89 1.60 0.58 1.20 0.00 0.00 173.24 175.73 1j2q h VAL 49 N 5.27 0.21 -0.44 4.45 2.07 -1.96 0.21 116.25 126.06 1j2q h VAL 49 Ca -0.40 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1j2q h VAL 49 Cb 1.19 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1j2q h VAL 49 CO 0.94 0.00 0.11 1.23 0.02 0.00 0.00 177.57 179.87 1j2q h GLY 50 N -0.62 0.54 0.93 2.17 0.00 -1.98 0.55 103.07 104.66 1j2q h GLY 50 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1j2q h GLY 50 CO -0.22 -0.02 0.13 -0.55 0.00 0.00 0.00 176.54 175.88 1j2q h ASP 51 N 0.26 0.36 0.18 0.19 3.45 -1.81 -1.43 116.42 117.63 1j2q h ASP 51 Ca 0.21 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 1j2q h ASP 51 Cb 0.24 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 1j2q h ASP 51 CO -0.25 0.39 -0.09 0.00 -1.57 0.00 0.00 179.24 177.71 1j2q h ALA 52 N 0.99 -0.25 -0.78 3.45 0.00 -0.22 -0.88 119.26 121.58 1j2q h ALA 52 Ca 0.10 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1j2q h ALA 52 Cb 0.12 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1j2q h ALA 52 CO -0.01 -0.63 0.44 1.96 0.00 0.00 0.00 179.25 181.00 1j2q h GLN 53 N -0.26 0.73 0.29 0.00 4.20 -0.83 0.27 115.11 119.50 1j2q h GLN 53 Ca -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1j2q h GLN 53 Cb 0.20 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1j2q h GLN 53 CO 0.04 0.48 -0.14 0.35 -0.67 0.00 0.00 178.83 178.90 1j2q h PHE 54 N 0.75 -0.36 -0.86 2.96 3.57 -1.01 -2.46 116.94 119.54 1j2q h PHE 54 Ca 0.37 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.88 1j2q h PHE 54 Cb 0.33 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1j2q h PHE 54 CO -0.07 -0.14 0.57 -0.07 -2.23 0.00 0.00 178.31 176.37 1j2q h LEU 55 N -0.51 0.97 -0.19 0.59 4.07 -0.74 -2.43 115.31 117.08 1j2q h LEU 55 Ca -0.04 -0.02 0.04 0.00 0.08 0.00 0.00 57.88 57.94 1j2q h LEU 55 Cb 0.38 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 1j2q h LEU 55 CO 0.06 0.69 -0.10 0.00 -1.08 0.00 0.00 178.44 178.02 1j2q h ALA 56 N 1.47 0.06 0.06 1.53 0.00 -0.27 0.11 119.26 122.23 1j2q h ALA 56 Ca 0.32 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1j2q h ALA 56 Cb -0.09 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1j2q h ALA 56 CO -0.08 -0.52 -0.25 0.00 0.00 0.00 0.00 179.25 178.40 1j2q h ARG 57 N -0.08 -0.41 -0.29 0.00 3.08 -0.97 -0.79 114.38 114.92 1j2q h ARG 57 Ca 0.10 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.25 1j2q h ARG 57 Cb 0.23 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 1j2q h ARG 57 CO -0.24 -0.27 -0.20 0.82 -1.07 0.00 0.00 179.97 179.00 1j2q h ILE 58 N -0.43 0.44 -0.08 2.04 1.08 -1.07 -1.19 117.51 118.31 1j2q h ILE 58 Ca 0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1j2q h ILE 58 Cb 0.48 0.44 -0.06 0.00 -3.07 0.00 0.00 36.82 34.62 1j2q h ILE 58 CO -0.18 0.00 -0.29 0.40 -0.69 0.00 0.00 178.15 177.39 1j2q h ILE 59 N -0.18 0.35 0.39 -0.67 1.08 -0.33 -1.38 117.51 116.76 1j2q h ILE 59 Ca 0.15 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.62 1j2q h ILE 59 Cb 0.42 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 1j2q h ILE 59 CO -0.40 0.00 -0.44 0.11 -0.69 0.00 0.00 178.15 176.73 1j2q h LYS 60 N -0.39 -0.81 -0.86 2.37 1.57 -0.75 -1.18 116.57 116.52 1j2q h LYS 60 Ca 0.08 0.06 0.22 0.00 -1.87 0.00 0.00 60.65 59.14 1j2q h LYS 60 Cb 0.52 0.18 -0.15 0.00 0.08 0.00 0.00 32.23 32.86 1j2q h LYS 60 CO -0.30 -0.54 0.06 0.82 -0.57 0.00 0.00 179.45 178.93 1j2q h ILE 61 N -0.84 0.23 0.00 1.86 5.03 -1.06 0.27 117.51 123.00 1j2q h ILE 61 Ca -0.05 -0.03 -0.07 0.00 -0.12 0.00 0.00 64.86 64.58 1j2q h ILE 61 Cb 0.74 0.12 -0.01 0.00 -3.03 0.00 0.00 36.82 34.64 1j2q h ILE 61 CO -0.08 0.02 -0.35 -0.33 -0.68 0.00 0.00 178.15 176.72 1j2q h GLU 62 N 0.10 0.00 -0.07 2.37 5.08 -0.99 -1.53 114.58 119.55 1j2q h GLU 62 Ca 0.50 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.79 1j2q h GLU 62 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1j2q h GLU 62 CO -0.75 0.35 -0.23 0.00 -1.00 0.00 0.00 179.01 177.39 1j2q h ALA 63 N 1.65 0.12 0.58 3.43 0.00 0.69 -2.02 119.26 123.71 1j2q h ALA 63 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1j2q h ALA 63 Cb 0.86 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1j2q h ALA 63 CO 0.05 0.10 -0.41 -0.91 0.00 0.00 0.00 179.25 178.07 1j2q h ASN 64 N -0.22 -1.08 -0.99 0.00 2.35 -0.80 -2.58 115.58 112.27 1j2q h ASN 64 Ca -0.01 0.07 0.24 0.00 -0.55 0.00 0.00 56.30 56.05 1j2q h ASN 64 Cb 0.86 0.33 -0.12 0.00 0.05 0.00 0.00 38.32 39.43 1j2q h ASN 64 CO 0.05 -0.60 0.56 0.25 -1.65 0.00 0.00 177.43 176.04 1j2q h LEU 65 N -0.95 0.63 -0.02 1.61 5.85 -1.38 0.14 115.31 121.19 1j2q h LEU 65 Ca -0.08 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1j2q h LEU 65 Cb 0.78 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1j2q h LEU 65 CO 0.04 0.10 -0.15 0.22 -0.34 0.00 0.00 178.44 178.31 1j2q h TYR 66 N 0.56 -0.39 0.23 1.25 3.20 -0.99 -0.46 116.97 120.37 1j2q h TYR 66 Ca 0.63 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.50 1j2q h TYR 66 Cb 1.18 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.63 1j2q h TYR 66 CO -0.03 -0.22 -0.11 1.49 -1.64 0.00 0.00 178.16 177.65 1j2q h GLU 67 N -0.24 -0.29 -0.94 1.82 4.81 -0.70 -0.05 114.58 118.99 1j2q h GLU 67 Ca 0.06 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.49 1j2q h GLU 67 Cb 0.32 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.68 1j2q h GLU 67 CO -0.16 -0.02 0.60 0.82 -0.73 0.00 0.00 179.01 179.52 1j2q h ILE 68 N -0.55 0.73 0.22 2.32 5.03 -0.70 0.96 117.51 125.52 1j2q h ILE 68 Ca -0.03 -0.21 -0.34 0.00 -0.12 0.00 0.00 64.86 64.16 1j2q h ILE 68 Cb 0.41 0.07 0.02 0.00 -3.03 0.00 0.00 36.82 34.29 1j2q h ILE 68 CO 0.05 0.11 -1.60 0.03 -0.68 0.00 0.00 178.15 176.07 1j2q h ARG 69 N 0.61 0.46 -0.17 2.37 3.08 -0.95 -3.36 114.38 116.42 1j2q h ARG 69 Ca 0.50 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1j2q h ARG 69 Cb 0.97 0.29 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1j2q h ARG 69 CO -0.25 1.37 0.00 0.54 -1.07 0.00 0.00 179.97 180.56 1j2q n ARG 70 N -3.64 2.12 -1.93 0.04 1.74 -0.05 -4.95 116.66 109.98 1j2q n ARG 70 Ca -0.20 -1.93 -0.13 0.00 -0.77 0.00 0.00 57.85 54.82 1j2q n ARG 70 Cb 1.09 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 31.07 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 1.24 -1.75 -4.20 5.56 1.02 0.33 -4.93 120.64 117.91 1j2q n GLU 71 Ca 0.14 0.70 -0.17 0.00 -0.02 0.00 0.00 57.16 57.81 1j2q n GLU 71 Cb 0.54 -5.13 -0.12 0.00 -0.02 0.00 0.00 31.44 26.70 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 -4.10 0.76 0.24 3.49 0.52 -1.23 -5.04 118.95 113.57 1j2q s ARG 72 Ca 0.00 -0.79 -0.23 0.00 -0.52 0.00 0.00 55.73 54.19 1j2q s ARG 72 Cb 0.00 -0.70 -0.09 0.00 0.52 0.00 0.00 34.95 34.68 1j2q s ARG 72 CO 0.00 0.16 0.80 0.15 0.02 0.00 0.00 175.30 176.44 1j2q s LYS 73 N -1.39 4.44 0.27 3.54 1.02 -1.26 -3.66 119.74 122.70 1j2q s LYS 73 Ca -0.03 1.09 -0.30 0.00 0.02 0.00 0.00 55.97 56.76 1j2q s LYS 73 Cb -0.09 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.16 1j2q s LYS 73 CO 0.01 0.41 1.07 -1.25 -0.92 0.00 0.00 175.35 174.68 1j2q s PRO 74 N -1.76 4.67 0.66 -1.68 0.04 -1.26 -5.00 135.00 130.68 1j2q s PRO 74 Ca 0.43 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 63.09 1j2q s PRO 74 Cb -0.19 -3.21 -0.00 0.00 0.04 0.00 0.00 34.50 31.14 1j2q s PRO 74 CO 0.23 0.26 1.08 -0.08 0.04 0.00 0.00 177.00 178.53 1j2q s THR 75 N -1.13 3.65 0.30 1.26 -1.32 -1.26 -4.88 115.64 112.26 1j2q s THR 75 Ca 0.44 0.68 -0.02 0.00 -1.21 0.00 0.00 61.69 61.58 1j2q s THR 75 Cb -0.31 -3.24 0.26 0.00 -1.51 0.00 0.00 72.50 67.70 1j2q s THR 75 CO 0.39 -0.57 1.97 -0.37 -2.21 0.00 0.00 174.62 173.83 1j2q h VAL 76 N -0.19 1.20 -0.53 5.08 -1.51 -1.95 -1.45 116.25 116.90 1j2q h VAL 76 Ca -0.46 -0.38 0.07 0.00 -1.23 0.00 0.00 66.70 64.70 1j2q h VAL 76 Cb 1.23 -0.01 -0.06 0.00 -2.13 0.00 0.00 31.29 30.32 1j2q h VAL 76 CO 0.55 0.20 0.22 -0.09 -1.23 0.00 0.00 177.57 177.23 1j2q h ARG 77 N 1.11 0.41 -0.57 5.19 2.43 -1.96 0.44 114.38 121.44 1j2q h ARG 77 Ca 0.31 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1j2q h ARG 77 Cb -0.11 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 1j2q h ARG 77 CO -0.07 0.27 0.28 0.00 -1.51 0.00 0.00 179.97 178.94 1j2q h ALA 78 N 1.33 0.73 -0.34 2.80 0.00 -1.66 0.61 119.26 122.73 1j2q h ALA 78 Ca 0.25 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1j2q h ALA 78 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1j2q h ALA 78 CO -0.23 0.29 -0.32 0.82 0.00 0.00 0.00 179.25 179.81 1j2q h ILE 79 N 0.77 1.28 -0.58 0.00 1.08 -0.65 -1.34 117.51 118.07 1j2q h ILE 79 Ca 0.19 -1.47 -0.09 0.00 -0.39 0.00 0.00 64.86 63.10 1j2q h ILE 79 Cb 0.11 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 1j2q h ILE 79 CO -0.03 0.48 -0.00 0.00 -0.69 0.00 0.00 178.15 177.92 1j2q h ALA 80 N 1.00 0.90 -0.30 1.87 0.00 0.18 -0.12 119.26 122.79 1j2q h ALA 80 Ca 0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1j2q h ALA 80 Cb 0.85 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1j2q h ALA 80 CO 0.07 0.65 -0.30 1.15 0.00 0.00 0.00 179.25 180.83 1j2q h THR 81 N 0.93 1.30 0.02 0.00 2.02 -0.82 -0.06 112.91 116.29 1j2q h THR 81 Ca 0.17 -1.47 0.02 0.00 0.77 0.00 0.00 66.41 65.89 1j2q h THR 81 Cb 0.54 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1j2q h THR 81 CO 0.03 0.47 -0.10 0.25 0.37 0.00 0.00 175.52 176.54 1j2q h LEU 82 N 0.49 -0.30 -0.95 2.58 5.85 -1.08 -1.30 115.31 120.61 1j2q h LEU 82 Ca 0.05 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1j2q h LEU 82 Cb 0.87 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1j2q h LEU 82 CO 0.07 -0.15 0.01 0.74 -0.34 0.00 0.00 178.44 178.78 1j2q h THR 83 N -0.19 1.24 0.17 1.05 2.02 -0.93 -2.12 112.91 114.15 1j2q h THR 83 Ca 0.03 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1j2q h THR 83 Cb 0.23 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1j2q h THR 83 CO -0.09 0.34 -0.08 0.28 0.37 0.00 0.00 175.52 176.34 1j2q h SER 84 N 0.73 -0.19 -0.53 4.18 0.02 -0.73 -0.49 113.55 116.54 1j2q h SER 84 Ca 0.14 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1j2q h SER 84 Cb 0.43 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1j2q h SER 84 CO 0.02 -0.05 0.22 0.78 -1.14 0.00 0.00 176.83 176.66 1j2q h ASN 85 N -0.32 0.27 0.08 3.07 -0.26 -1.07 0.10 115.58 117.45 1j2q h ASN 85 Ca -0.02 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1j2q h ASN 85 Cb 0.25 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 1j2q h ASN 85 CO 0.04 0.18 -0.07 0.25 -1.06 0.00 0.00 177.43 176.77 1j2q h LEU 86 N 0.43 -0.18 -0.30 1.61 5.85 -1.21 -0.76 115.31 120.76 1j2q h LEU 86 Ca 0.25 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.03 1j2q h LEU 86 Cb 0.23 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1j2q h LEU 86 CO -0.22 -0.11 0.02 -0.07 -0.34 0.00 0.00 178.44 177.72 1j2q h LEU 87 N -0.16 -0.08 -1.09 2.25 4.07 -0.52 -2.62 115.31 117.15 1j2q h LEU 87 Ca 0.00 0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 1j2q h LEU 87 Cb 0.15 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1j2q h LEU 87 CO -0.01 -0.01 -0.12 -1.13 -1.08 0.00 0.00 178.44 176.08 1j2q h ASN 88 N 0.11 0.48 -0.72 -0.43 -0.73 -0.58 -2.34 115.58 111.36 1j2q h ASN 88 Ca 0.14 -0.13 0.12 0.00 1.87 0.00 0.00 56.30 58.31 1j2q h ASN 88 Cb 0.18 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 38.59 1j2q h ASN 88 CO -0.23 0.64 0.48 0.77 -0.37 0.00 0.00 177.43 178.73 1j2q h SER 89 N 0.46 0.45 -0.63 1.15 4.64 -0.75 0.21 113.55 119.08 1j2q h SER 89 Ca 0.09 0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.20 1j2q h SER 89 Cb 0.49 -0.07 -0.13 0.00 -0.31 0.00 0.00 62.40 62.38 1j2q h SER 89 CO 0.03 0.25 0.28 -1.22 -0.87 0.00 0.00 176.83 175.30 1j2q n TYR 90 N -4.49 2.07 0.32 4.77 4.01 -0.89 -4.63 117.16 118.33 1j2q n TYR 90 Ca 0.13 -1.10 0.17 0.00 -0.16 0.00 0.00 57.90 56.93 1j2q n TYR 90 Cb 0.44 -0.63 0.90 0.00 -0.31 0.00 0.00 39.34 39.74 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 1.90 0.00 -0.18 -0.72 0.11 -0.54 0.40 114.38 115.35 1j2q h ARG 91 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1j2q h ARG 91 Cb 2.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.19 1j2q h ARG 91 CO 0.65 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.38 1j2q n TYR 92 N -2.86 0.22 -2.71 4.08 4.01 -1.26 -4.18 117.16 114.45 1j2q n TYR 92 Ca -0.02 -0.11 -0.08 0.00 -0.16 0.00 0.00 57.90 57.53 1j2q n TYR 92 Cb 0.27 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.39 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 0.84 -2.29 -1.10 -0.72 3.01 -0.57 -5.16 117.46 111.48 1j2q n PHE 93 Ca 0.17 -1.80 -0.34 0.00 1.01 0.00 0.00 57.45 56.50 1j2q n PHE 93 Cb 0.47 1.53 0.12 0.00 -0.01 0.00 0.00 39.48 41.59 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 0.35 0.16 -2.74 -1.08 -0.04 0.02 -4.93 135.00 126.75 1j2q n PRO 94 Ca 0.03 0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.18 1j2q n PRO 94 Cb 0.72 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 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 -2.12 3.07 -1.04 0.54 1.51 -1.26 -4.93 117.35 113.12 1j2q s TYR 95 Ca 0.71 0.89 -0.23 0.00 -1.01 0.00 0.00 57.07 57.43 1j2q s TYR 95 Cb -0.29 -3.74 -0.06 0.00 -0.11 0.00 0.00 41.96 37.76 1j2q s TYR 95 CO 0.53 -0.86 1.91 -0.51 -1.11 0.00 0.00 175.55 175.52 1j2q s LEU 96 N 3.63 3.15 -0.12 -1.29 1.02 -1.26 -4.45 118.68 119.37 1j2q s LEU 96 Ca 0.41 -1.19 -0.15 0.00 0.02 0.00 0.00 54.13 53.22 1j2q s LEU 96 Cb -0.11 -2.57 0.04 0.00 0.02 0.00 0.00 46.19 43.56 1j2q s LEU 96 CO 0.19 -2.78 0.39 0.54 0.02 0.00 0.00 176.35 174.71 1j2q s VAL 97 N 10.08 0.01 -0.25 -1.59 0.11 -1.26 0.20 120.40 127.70 1j2q s VAL 97 Ca 0.68 -0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.60 1j2q s VAL 97 Cb -0.04 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1j2q s VAL 97 CO 0.05 -0.06 -0.05 -1.10 -3.33 0.00 0.00 175.10 170.61 1j2q s GLN 98 N -0.19 2.87 0.07 1.54 -1.52 0.30 -2.71 119.66 120.02 1j2q s GLN 98 Ca -0.03 -0.96 0.04 0.00 -1.95 0.00 0.00 55.36 52.45 1j2q s GLN 98 Cb -0.03 -3.01 -0.04 0.00 -0.22 0.00 0.00 33.01 29.71 1j2q s GLN 98 CO 0.02 -0.40 0.03 -0.51 -0.25 0.00 0.00 175.29 174.18 1j2q s LEU 99 N 1.34 3.59 -0.24 2.90 1.43 0.20 -1.62 118.68 126.28 1j2q s LEU 99 Ca 0.00 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1j2q s LEU 99 Cb -0.17 -2.28 0.06 0.00 0.03 0.00 0.00 46.19 43.84 1j2q s LEU 99 CO -0.04 0.19 -0.06 -0.22 0.23 0.00 0.00 176.35 176.45 1j2q s LEU 100 N -2.24 2.81 -0.21 1.79 2.96 -0.57 0.65 118.68 123.87 1j2q s LEU 100 Ca 0.26 -1.25 0.01 0.00 -0.22 0.00 0.00 54.13 52.93 1j2q s LEU 100 Cb -0.12 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.33 1j2q s LEU 100 CO 0.19 -0.23 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.20 1j2q s ILE 101 N 1.32 2.21 0.32 6.68 1.01 0.06 -0.35 121.20 132.45 1j2q s ILE 101 Ca -0.06 -1.09 -0.17 0.00 0.00 0.00 0.00 60.65 59.33 1j2q s ILE 101 Cb -0.19 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.27 1j2q s ILE 101 CO -0.06 0.38 0.71 -0.83 0.00 0.00 0.00 174.94 175.14 1j2q s GLY 102 N 1.26 0.25 0.00 6.18 0.00 -0.39 -0.13 107.32 114.48 1j2q s GLY 102 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1j2q s GLY 102 CO -0.10 -0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.33 1j2q n GLY 103 N -0.49 -0.32 3.35 0.20 0.00 -0.58 0.33 105.19 107.68 1j2q n GLY 103 Ca -0.05 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.42 2.34 0.34 -0.61 1.01 0.45 -2.11 121.20 119.21 1j2q s ILE 104 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.59 1j2q s ILE 104 Cb 0.00 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1j2q s ILE 104 CO 0.00 0.58 0.55 1.51 0.00 0.00 0.00 174.94 177.58 1j2q s ASP 105 N -0.51 0.55 0.60 3.58 3.84 0.39 -4.69 116.67 120.43 1j2q s ASP 105 Ca 0.07 -1.32 0.28 0.00 -0.00 0.00 0.00 52.55 51.58 1j2q s ASP 105 Cb -0.11 0.70 1.27 0.00 -1.38 0.00 0.00 42.92 43.39 1j2q s ASP 105 CO 0.01 -1.37 1.66 0.77 -0.00 0.00 0.00 175.17 176.23 1j2q h SER 106 N 2.10 0.00 0.89 2.11 4.64 -1.96 0.52 113.55 121.85 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 -0.45 -0.62 -0.87 0.00 0.00 176.83 175.28 1j2q n GLU 106 N -3.49 0.19 0.00 4.77 1.02 -1.26 -5.06 120.64 116.82 1j2q n GLU 106 Ca 0.14 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1j2q n GLU 106 Cb 1.02 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1j2q n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j2q n GLY 107 N 1.39 0.35 3.40 0.62 0.00 0.18 -5.05 105.19 106.07 1j2q n GLY 107 Ca 0.04 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.12 2.32 -0.06 1.61 1.02 -1.26 -0.46 119.74 121.79 1j2q s LYS 108 Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 1j2q s LYS 108 Cb 0.00 -2.22 0.11 0.00 -0.52 0.00 0.00 37.83 35.20 1j2q s LYS 108 CO 0.00 0.59 0.97 -1.54 -0.92 0.00 0.00 175.35 174.45 1j2q s SER 109 N -0.68 -0.31 0.01 2.83 1.04 -0.90 -5.03 113.70 110.66 1j2q s SER 109 Ca 0.11 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.59 1j2q s SER 109 Cb -0.10 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1j2q s SER 109 CO -0.00 -0.52 -0.07 -0.63 0.98 0.00 0.00 173.24 173.00 1j2q s ILE 110 N -2.83 0.53 -0.05 -1.02 1.01 -1.22 -1.52 121.20 116.09 1j2q s ILE 110 Ca 0.05 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1j2q s ILE 110 Cb -0.01 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 1j2q s ILE 110 CO -0.07 0.02 -0.21 -0.31 0.00 0.00 0.00 174.94 174.37 1j2q s TYR 111 N -0.43 2.05 -0.22 3.97 1.51 0.81 -0.05 117.35 124.99 1j2q s TYR 111 Ca -0.00 -0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 55.41 1j2q s TYR 111 Cb -0.04 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1j2q s TYR 111 CO -0.00 -0.18 0.04 0.45 -1.11 0.00 0.00 175.55 174.76 1j2q s SER 112 N -0.10 5.11 -0.06 2.29 0.15 -0.55 -0.76 113.70 119.79 1j2q s SER 112 Ca -0.03 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.51 1j2q s SER 112 Cb -0.12 -1.90 -0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1j2q s SER 112 CO 0.03 0.04 -0.19 -0.63 1.20 0.00 0.00 173.24 173.68 1j2q s ILE 113 N 1.16 1.63 0.48 6.45 1.01 0.21 -0.85 121.20 131.29 1j2q s ILE 113 Ca 0.04 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1j2q s ILE 113 Cb -0.14 -1.40 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1j2q s ILE 113 CO 0.03 0.46 0.66 1.51 0.00 0.00 0.00 174.94 177.60 1j2q s ASP 114 N 0.15 5.44 0.43 3.58 3.84 -0.84 0.62 116.67 129.89 1j2q s ASP 114 Ca -0.08 -0.43 0.25 0.00 -0.00 0.00 0.00 52.55 52.29 1j2q s ASP 114 Cb -0.14 -0.50 1.27 0.00 -1.38 0.00 0.00 42.92 42.17 1j2q s ASP 114 CO 0.04 -0.98 1.73 -0.65 -0.00 0.00 0.00 175.17 175.31 1j2q h PRO 115 N 0.41 0.24 -0.29 2.11 0.11 -1.73 0.24 132.00 133.09 1j2q h PRO 115 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1j2q h PRO 115 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1j2q h PRO 115 CO 0.45 0.16 0.00 -0.89 -0.21 0.00 0.00 178.00 177.51 1j2q n ILE 116 N -4.58 0.39 -1.57 4.15 -0.00 -1.26 -4.40 119.36 112.08 1j2q n ILE 116 Ca 0.29 -0.44 -0.01 0.00 -0.00 0.00 0.00 62.75 62.59 1j2q n ILE 116 Cb 1.10 0.29 -0.00 0.00 -0.00 0.00 0.00 39.64 41.03 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 1.10 0.39 3.58 7.39 0.00 0.84 -3.59 105.19 114.90 1j2q n GLY 117 Ca 0.14 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.96 1.56 -0.19 -0.02 0.00 -1.25 -4.73 107.32 99.73 1j2q s GLY 118 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 44.72 43.98 1j2q s GLY 118 CO 0.00 1.93 -0.04 0.00 0.00 0.00 0.00 173.10 174.98 1j2q s ALA 119 N 3.47 2.88 0.00 3.20 0.00 -1.26 -1.98 121.76 128.06 1j2q s ALA 119 Ca 0.35 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1j2q s ALA 119 Cb -0.12 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1j2q s ALA 119 CO 0.22 -0.13 0.00 -0.89 0.00 0.00 0.00 175.76 174.95 1j2q n ILE 120 N 4.23 0.00 -3.21 0.00 -0.00 -0.03 -4.93 119.36 115.42 1j2q n ILE 120 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1j2q n ILE 120 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.13 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 4.94 0.50 0.00 0.38 8.01 0.93 -1.48 118.70 131.98 1j2q s GLU 121 Ca 0.00 0.77 0.21 0.00 0.01 0.00 0.00 54.97 55.96 1j2q s GLU 121 Cb 0.00 0.21 0.81 0.00 -4.31 0.00 0.00 34.13 30.84 1j2q s GLU 121 CO 0.00 -0.71 1.58 1.63 0.01 0.00 0.00 175.26 177.77 1j2q n LYS 121 N 5.41 1.64 0.10 1.61 5.02 -1.26 -3.45 118.16 127.22 1j2q n LYS 121 Ca -0.01 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1j2q n LYS 121 Cb 0.51 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.19 -1.72 -4.28 4.39 5.68 -1.26 -4.80 116.55 114.75 1j2q n ASP 122 Ca 0.16 0.42 -0.24 0.00 -0.50 0.00 0.00 54.79 54.63 1j2q n ASP 122 Cb 0.30 1.84 -0.13 0.00 -1.14 0.00 0.00 41.12 42.00 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 -1.49 1.69 -0.27 2.12 -1.09 -1.26 -1.21 121.20 119.69 1j2q s ILE 123 Ca 0.00 -1.47 -0.25 0.00 -2.23 0.00 0.00 60.65 56.70 1j2q s ILE 123 Cb 0.00 -1.53 0.11 0.00 -1.58 0.00 0.00 42.46 39.47 1j2q s ILE 123 CO 0.00 -0.01 0.98 0.54 -1.23 0.00 0.00 174.94 175.22 1j2q s VAL 124 N -1.09 0.00 0.13 2.92 0.11 -0.48 -4.94 120.40 117.05 1j2q s VAL 124 Ca 0.06 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.16 1j2q s VAL 124 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1j2q s VAL 124 CO 0.04 0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 171.70 1j2q s ALA 125 N 0.14 1.34 -0.01 1.54 0.00 -1.26 -0.01 121.76 123.51 1j2q s ALA 125 Ca 0.02 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.43 1j2q s ALA 125 Cb -0.05 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.13 1j2q s ALA 125 CO -0.04 -0.06 0.37 0.99 0.00 0.00 0.00 175.76 177.02 1j2q s THR 127 N -2.93 0.05 0.00 0.00 2.01 0.25 -4.91 115.64 110.12 1j2q s THR 127 Ca 0.12 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1j2q s THR 127 Cb 0.00 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.77 1j2q s THR 127 CO 0.01 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 1j2q n GLY 128 N 1.07 1.03 0.22 4.40 0.00 -1.26 0.12 105.19 110.76 1j2q n GLY 128 Ca -0.21 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.98 0.15 113.55 118.96 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 -0.21 0.61 -0.87 0.00 0.00 176.83 176.36 1j2q n GLY 130 N -1.26 -0.03 0.30 -0.77 0.00 -0.49 -4.68 105.19 98.26 1j2q n GLY 130 Ca -0.01 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 2.00 -0.05 -0.50 1.61 4.64 -0.83 -1.46 113.55 118.96 1j2q h SER 131 Ca 0.00 0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1j2q h SER 131 Cb 0.53 0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 1j2q h SER 131 CO 0.00 -0.13 0.33 -0.07 -0.87 0.00 0.00 176.83 176.09 1j2q h LEU 132 N 0.21 0.54 -0.03 5.97 3.38 -1.83 0.42 115.31 123.97 1j2q h LEU 132 Ca 0.50 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.37 1j2q h LEU 132 Cb 0.97 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1j2q h LEU 132 CO -0.63 0.38 -0.36 0.74 0.09 0.00 0.00 178.44 178.66 1j2q h THR 133 N 0.63 1.46 -0.68 0.22 2.02 -1.64 -3.09 112.91 111.84 1j2q h THR 133 Ca 0.19 -1.87 0.08 0.00 0.77 0.00 0.00 66.41 65.58 1j2q h THR 133 Cb 0.00 2.53 -0.07 0.00 -1.74 0.00 0.00 68.15 68.88 1j2q h THR 133 CO -0.05 0.53 0.34 0.00 0.37 0.00 0.00 175.52 176.71 1j2q h ALA 134 N 0.35 0.92 -0.51 6.16 0.00 -0.77 0.14 119.26 125.55 1j2q h ALA 134 Ca -0.04 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1j2q h ALA 134 Cb 1.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1j2q h ALA 134 CO 0.07 -0.04 0.35 1.88 0.00 0.00 0.00 179.25 181.51 1j2q h TYR 135 N 0.59 0.14 0.19 0.00 -1.99 -0.19 -1.62 116.97 114.09 1j2q h TYR 135 Ca 0.32 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.06 1j2q h TYR 135 Cb 0.31 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 1j2q h TYR 135 CO -0.11 0.06 -0.33 0.78 -0.00 0.00 0.00 178.16 178.57 1j2q h GLY 136 N 0.13 -1.13 1.23 3.88 0.00 -0.63 0.76 103.07 107.30 1j2q h GLY 136 Ca 0.24 0.54 -0.12 0.00 0.00 0.00 0.00 47.33 48.00 1j2q h GLY 136 CO -0.03 -0.34 -0.17 -0.39 0.00 0.00 0.00 176.54 175.61 1j2q h VAL 137 N -0.55 1.27 -0.25 4.60 -1.51 -1.53 -2.68 116.25 115.60 1j2q h VAL 137 Ca -0.02 -1.30 0.04 0.00 -1.23 0.00 0.00 66.70 64.19 1j2q h VAL 137 Cb 0.51 1.10 -0.04 0.00 -2.13 0.00 0.00 31.29 30.73 1j2q h VAL 137 CO -0.11 0.45 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.59 1j2q h LEU 138 N 0.78 -0.12 0.00 4.19 3.38 -1.15 -0.12 115.31 122.27 1j2q h LEU 138 Ca 0.11 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j2q h LEU 138 Cb 0.71 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1j2q h LEU 138 CO 0.05 -0.03 0.00 1.21 0.09 0.00 0.00 178.44 179.77 1j2q n GLU 139 N -5.16 0.01 -0.10 1.13 2.13 0.24 -1.81 120.64 117.09 1j2q n GLU 139 Ca -0.01 0.17 -0.19 0.00 0.66 0.00 0.00 57.16 57.78 1j2q n GLU 139 Cb 0.13 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.23 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 0.09 4.31 -0.00 -0.80 -3.41 116.42 116.61 1j2q h ASP 140 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.03 56.51 1j2q h ASP 140 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.66 1j2q h ASP 140 CO 0.00 1.36 -0.39 0.54 -0.00 0.00 0.00 179.24 180.75 1j2q n ARG 141 N -4.47 1.04 -2.84 0.28 1.74 -0.21 -4.99 116.66 107.22 1j2q n ARG 141 Ca -0.27 -0.78 -0.36 0.00 -0.77 0.00 0.00 57.85 55.67 1j2q n ARG 141 Cb 0.61 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.49 3.61 -0.06 -1.55 5.36 -0.75 -5.06 117.98 117.04 1j2q s PHE 142 Ca 0.21 1.69 -0.07 0.00 -0.96 0.00 0.00 56.93 57.80 1j2q s PHE 142 Cb 0.19 -2.86 0.02 0.00 -0.34 0.00 0.00 43.02 40.02 1j2q s PHE 142 CO 0.55 0.17 0.18 0.95 -1.46 0.00 0.00 175.22 175.61 1j2q s THR 143 N -1.71 0.01 0.57 0.12 -4.23 -1.26 -5.00 115.64 104.13 1j2q s THR 143 Ca 0.51 -0.04 0.27 0.00 -1.18 0.00 0.00 61.69 61.25 1j2q s THR 143 Cb -0.16 -0.28 0.37 0.00 1.34 0.00 0.00 72.50 73.77 1j2q s THR 143 CO 0.21 -0.02 2.04 1.55 -0.54 0.00 0.00 174.62 177.86 1j2q h PRO 144 N 5.75 0.00 0.00 3.99 0.13 -1.97 -0.54 132.00 139.36 1j2q h PRO 144 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1j2q h PRO 144 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1j2q h PRO 144 CO 0.39 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.55 1j2q n GLU 145 N -3.97 0.58 -1.69 0.86 4.71 -1.26 -3.71 120.64 116.17 1j2q n GLU 145 Ca 0.04 0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.79 1j2q n GLU 145 Cb 0.43 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.37 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 -1.20 2.49 -3.96 -3.67 3.06 -0.21 -4.66 119.36 111.21 1j2q n ILE 146 Ca 0.17 -0.50 -0.29 0.00 -2.50 0.00 0.00 62.75 59.63 1j2q n ILE 146 Cb 0.19 -1.51 -0.04 0.00 0.54 0.00 0.00 39.64 38.82 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 -0.54 1.97 0.40 4.50 0.00 -1.26 -2.24 107.32 110.14 1j2q s GLY 147 Ca 0.61 -0.96 0.20 0.00 0.00 0.00 0.00 44.72 44.56 1j2q s GLY 147 CO 0.58 -0.95 1.74 -0.39 0.00 0.00 0.00 173.10 174.08 1j2q h VAL 148 N 2.00 0.45 -0.60 1.40 -1.51 -1.91 0.90 116.25 116.98 1j2q h VAL 148 Ca -0.47 -0.12 -0.06 0.00 -1.23 0.00 0.00 66.70 64.82 1j2q h VAL 148 Cb 1.18 0.07 -0.03 0.00 -2.13 0.00 0.00 31.29 30.38 1j2q h VAL 148 CO 0.71 0.06 0.11 0.44 -1.23 0.00 0.00 177.57 177.67 1j2q h ASP 149 N 0.35 0.91 1.02 4.19 3.45 -1.96 -1.26 116.42 123.12 1j2q h ASP 149 Ca 0.64 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.91 1j2q h ASP 149 Cb 1.67 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 40.20 1j2q h ASP 149 CO -0.34 0.90 -0.85 1.05 -1.57 0.00 0.00 179.24 178.43 1j2q h GLU 150 N 0.91 0.00 -0.10 3.56 4.11 -1.64 -3.30 114.58 118.11 1j2q h GLU 150 Ca 0.19 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.53 1j2q h GLU 150 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1j2q h GLU 150 CO 0.01 0.00 -0.36 0.00 0.07 0.00 0.00 179.01 178.73 1j2q h ALA 151 N 2.13 1.21 0.00 1.06 0.00 -0.31 -0.63 119.26 122.73 1j2q h ALA 151 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1j2q h ALA 151 Cb 0.93 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1j2q h ALA 151 CO 0.00 0.54 -0.45 -0.39 0.00 0.00 0.00 179.25 178.95 1j2q h VAL 152 N 0.18 1.06 0.05 0.00 -1.51 -1.32 -0.39 116.25 114.32 1j2q h VAL 152 Ca 0.02 -1.70 -0.00 0.00 -1.23 0.00 0.00 66.70 63.78 1j2q h VAL 152 Cb 0.72 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 1j2q h VAL 152 CO 0.05 0.44 -0.02 -0.08 -1.23 0.00 0.00 177.57 176.73 1j2q h GLU 153 N 0.00 -0.06 -0.54 5.19 4.81 -1.49 -1.61 114.58 120.87 1j2q h GLU 153 Ca -0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1j2q h GLU 153 Cb 0.96 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.26 1j2q h GLU 153 CO 0.06 0.42 0.03 1.25 -0.73 0.00 0.00 179.01 180.03 1j2q h LEU 154 N -0.58 -0.18 -0.22 1.64 5.85 -1.00 0.28 115.31 121.09 1j2q h LEU 154 Ca -0.01 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1j2q h LEU 154 Cb 0.51 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1j2q h LEU 154 CO 0.01 -0.06 -0.02 0.00 -0.34 0.00 0.00 178.44 178.03 1j2q h ALA 155 N 1.47 0.18 -0.56 1.25 0.00 -0.99 0.16 119.26 120.77 1j2q h ALA 155 Ca 0.28 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1j2q h ALA 155 Cb 0.42 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1j2q h ALA 155 CO -0.43 -0.44 0.26 0.28 0.00 0.00 0.00 179.25 178.92 1j2q h VAL 156 N 0.05 1.19 0.33 0.00 2.07 -0.24 -1.72 116.25 117.92 1j2q h VAL 156 Ca 0.11 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1j2q h VAL 156 Cb 0.14 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1j2q h VAL 156 CO -0.19 0.22 -0.16 -0.09 0.02 0.00 0.00 177.57 177.37 1j2q h ARG 157 N 0.79 -0.43 -0.22 1.57 2.43 0.75 -1.15 114.38 118.12 1j2q h ARG 157 Ca 0.20 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1j2q h ARG 157 Cb 0.09 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1j2q h ARG 157 CO -0.03 -0.25 0.10 0.00 -1.51 0.00 0.00 179.97 178.28 1j2q h ALA 158 N 0.16 0.29 0.00 2.80 0.00 -0.46 -2.06 119.26 119.99 1j2q h ALA 158 Ca -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1j2q h ALA 158 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1j2q h ALA 158 CO 0.07 -0.14 -0.10 0.82 0.00 0.00 0.00 179.25 179.90 1j2q h ILE 159 N 0.22 0.41 -0.14 0.00 2.04 -1.29 -1.07 117.51 117.69 1j2q h ILE 159 Ca 0.08 -0.53 -0.18 0.00 1.00 0.00 0.00 64.86 65.23 1j2q h ILE 159 Cb 0.13 1.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1j2q h ILE 159 CO -0.01 0.10 -0.61 0.22 0.00 0.00 0.00 178.15 177.85 1j2q h TYR 160 N 0.00 0.88 -0.09 1.37 3.20 -0.76 -1.97 116.97 119.59 1j2q h TYR 160 Ca -0.00 -0.38 -0.00 0.00 3.14 0.00 0.00 58.73 61.49 1j2q h TYR 160 Cb 0.37 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 1j2q h TYR 160 CO 0.00 1.18 0.05 0.77 -1.64 0.00 0.00 178.16 178.52 1j2q h SER 161 N 0.33 0.12 -0.94 -2.11 0.02 -0.72 -2.80 113.55 107.45 1j2q h SER 161 Ca -0.04 -0.11 0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1j2q h SER 161 Cb 1.24 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 63.66 1j2q h SER 161 CO 0.13 0.19 0.56 0.00 -1.14 0.00 0.00 176.83 176.57 1j2q h ALA 162 N 0.93 1.41 0.00 3.77 0.00 -1.17 0.91 119.26 125.10 1j2q h ALA 162 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j2q h ALA 162 Cb 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1j2q h ALA 162 CO -0.00 0.12 -0.00 0.52 0.00 0.00 0.00 179.25 179.89 1j2q h MET 163 N 0.87 0.00 0.00 0.00 2.07 -1.08 -1.41 114.93 115.37 1j2q h MET 163 Ca 0.47 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 58.10 1j2q h MET 163 Cb 0.52 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.25 1j2q h MET 163 CO -0.29 0.00 -0.02 0.87 1.07 0.00 0.00 176.91 178.55 1j2q h LYS 164 N 0.00 0.00 0.00 1.72 1.57 -0.75 -3.35 116.57 115.76 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 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1j2q h LYS 164 CO 0.00 0.02 0.00 0.54 -0.57 0.00 0.00 179.45 179.44 1j2q n ARG 165 N -3.11 -0.26 -3.96 3.15 5.12 -0.72 -4.96 116.66 111.92 1j2q n ARG 165 Ca 0.03 -0.42 -0.31 0.00 -1.93 0.00 0.00 57.85 55.23 1j2q n ARG 165 Cb 0.48 -0.80 -0.15 0.00 -1.16 0.00 0.00 32.46 30.83 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 -0.09 4.47 0.39 0.55 3.68 -0.61 -4.97 116.67 120.09 1j2q s ASP 166 Ca 0.00 -1.85 0.27 0.00 2.13 0.00 0.00 52.55 53.11 1j2q s ASP 166 Cb 0.00 -1.41 1.38 0.00 -1.45 0.00 0.00 42.92 41.44 1j2q s ASP 166 CO 0.00 -0.35 1.82 0.77 0.13 0.00 0.00 175.17 177.55 1j2q h SER 167 N 7.77 0.00 0.56 -0.34 4.64 -1.88 -0.71 113.55 123.59 1j2q h SER 167 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1j2q h SER 167 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1j2q h SER 167 CO 0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 176.30 1j2q n ALA 168 N -1.85 2.78 -2.28 5.18 0.00 -1.26 -4.86 120.51 118.22 1j2q n ALA 168 Ca -0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 1j2q n ALA 168 Cb 0.10 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.70 4.88 0.00 0.00 0.01 -0.27 -0.49 113.70 115.13 1j2q s SER 169 Ca 0.22 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1j2q s SER 169 Cb 0.19 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1j2q s SER 169 CO 0.53 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1j2q n GLY 170 N -1.58 0.40 4.05 3.44 0.00 -1.26 -4.89 105.19 105.35 1j2q n GLY 170 Ca 0.02 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 0.50 0.00 0.00 1.61 10.43 -1.26 -2.45 116.55 125.38 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 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 42.91 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 -1.91 -0.32 3.30 0.44 0.00 -1.26 -4.86 105.19 100.58 1j2q n GLY 172 Ca 0.00 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.84 -0.02 0.04 -0.61 2.07 -1.26 -2.59 121.20 116.99 1j2q s ILE 173 Ca 0.00 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.24 1j2q s ILE 173 Cb 0.00 -0.63 -0.05 0.00 0.13 0.00 0.00 42.46 41.90 1j2q s ILE 173 CO 0.00 0.03 0.33 -1.81 -1.91 0.00 0.00 174.94 171.59 1j2q s ASP 174 N 1.35 6.57 0.06 4.50 -0.00 0.01 -4.91 116.67 124.25 1j2q s ASP 174 Ca -0.09 0.68 0.02 0.00 -0.00 0.00 0.00 52.55 53.16 1j2q s ASP 174 Cb -0.08 -2.14 -0.03 0.00 -0.00 0.00 0.00 42.92 40.67 1j2q s ASP 174 CO -0.13 0.22 -0.07 -0.69 -0.00 0.00 0.00 175.17 174.51 1j2q s VAL 175 N -1.33 0.52 -0.06 -1.27 1.01 -1.26 -1.56 120.40 116.44 1j2q s VAL 175 Ca 0.30 -1.36 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1j2q s VAL 175 Cb -0.14 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1j2q s VAL 175 CO 0.17 -0.58 0.15 -0.69 0.00 0.00 0.00 175.10 174.14 1j2q s VAL 176 N -2.22 -0.04 -0.14 2.92 1.01 0.22 -3.22 120.40 118.93 1j2q s VAL 176 Ca -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1j2q s VAL 176 Cb -0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1j2q s VAL 176 CO -0.02 0.06 -0.04 -0.75 0.00 0.00 0.00 175.10 174.36 1j2q s LYS 177 N 1.03 3.47 -0.41 2.72 2.20 0.24 -1.78 119.74 127.22 1j2q s LYS 177 Ca -0.08 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 1j2q s LYS 177 Cb -0.10 -2.86 0.12 0.00 -1.51 0.00 0.00 37.83 33.48 1j2q s LYS 177 CO -0.05 0.36 0.16 0.42 -0.36 0.00 0.00 175.35 175.87 1j2q s ILE 178 N 0.05 1.93 -0.21 5.43 1.01 0.92 -0.48 121.20 129.86 1j2q s ILE 178 Ca 0.00 -2.52 -0.19 0.00 0.00 0.00 0.00 60.65 57.94 1j2q s ILE 178 Cb -0.13 -2.39 -0.16 0.00 0.01 0.00 0.00 42.46 39.78 1j2q s ILE 178 CO 0.03 -0.74 0.10 1.07 0.00 0.00 0.00 174.94 175.40 1j2q n THR 179 N 3.86 1.52 0.00 2.92 5.66 -0.59 -0.80 114.28 126.85 1j2q n THR 179 Ca 0.04 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1j2q n THR 179 Cb 0.37 -2.07 0.00 0.00 -1.55 0.00 0.00 70.33 67.09 1j2q n THR 179 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1j2q n GLU 180 N -4.43 0.00 0.00 1.09 2.13 -1.26 -4.62 120.64 113.55 1j2q n GLU 180 Ca -0.32 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.65 1j2q n GLU 180 Cb 0.66 0.00 0.75 0.00 0.27 0.00 0.00 31.44 33.11 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 0.00 -3.60 4.31 9.92 -1.26 -4.89 116.55 121.03 1j2q n ASP 181 Ca 0.00 -0.20 -0.05 0.00 -0.53 0.00 0.00 54.79 54.00 1j2q n ASP 181 Cb 0.00 -0.26 -0.02 0.00 -0.64 0.00 0.00 41.12 40.21 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 -2.52 0.80 -0.36 -1.24 2.12 -1.26 -5.08 118.70 111.16 1j2q s GLU 182 Ca 0.29 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1j2q s GLU 182 Cb 0.20 0.32 0.12 0.00 0.26 0.00 0.00 34.13 35.03 1j2q s GLU 182 CO 0.43 -0.36 0.17 0.12 -0.54 0.00 0.00 175.26 175.09 1j2q s PHE 183 N -2.98 1.54 -0.02 5.30 5.36 -1.26 -1.54 117.98 124.39 1j2q s PHE 183 Ca 0.09 -1.91 -0.00 0.00 -0.96 0.00 0.00 56.93 54.14 1j2q s PHE 183 Cb -0.00 -1.58 -0.04 0.00 -0.34 0.00 0.00 43.02 41.05 1j2q s PHE 183 CO -0.05 -0.83 0.05 -0.47 -1.46 0.00 0.00 175.22 172.46 1j2q s TYR 184 N 1.09 3.22 -0.22 10.12 6.04 0.37 -4.95 117.35 133.02 1j2q s TYR 184 Ca 0.14 0.18 0.01 0.00 0.04 0.00 0.00 57.07 57.44 1j2q s TYR 184 Cb -0.21 -1.73 0.05 0.00 -1.04 0.00 0.00 41.96 39.04 1j2q s TYR 184 CO -0.12 0.52 -0.07 -1.14 -1.54 0.00 0.00 175.55 173.20 1j2q s GLN 185 N -1.56 1.79 0.57 4.97 0.74 -1.26 -0.59 119.66 124.32 1j2q s GLN 185 Ca 0.20 -0.97 0.21 0.00 0.05 0.00 0.00 55.36 54.86 1j2q s GLN 185 Cb -0.12 -2.55 1.16 0.00 1.10 0.00 0.00 33.01 32.60 1j2q s GLN 185 CO 0.11 -0.54 1.62 1.88 -0.55 0.00 0.00 175.29 177.81 1j2q h TYR 186 N 7.95 0.00 -2.78 1.67 -1.99 -1.97 -3.49 116.97 116.36 1j2q h TYR 186 Ca -0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.52 1j2q h TYR 186 Cb 1.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.81 1j2q h TYR 186 CO 0.51 0.00 -0.68 0.43 -0.00 0.00 0.00 178.16 178.42 1j2q n SER 187 N -2.59 -6.74 -0.63 3.88 7.64 -1.26 -3.65 113.62 110.26 1j2q n SER 187 Ca -0.01 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1j2q n SER 187 Cb 0.45 -3.34 0.00 0.00 -1.01 0.00 0.00 64.21 60.31 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 -0.84 0.00 0.00 1.43 -0.04 -1.26 -2.27 135.00 132.03 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 -0.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 0.09 0.00 -0.03 0.54 1.02 -1.24 0.32 120.64 121.34 1j2q n GLU 188 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1j2q n GLU 188 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 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 1.45 -0.50 2.62 2.07 -1.63 -2.29 116.25 117.97 1j2q h VAL 189 Ca 0.00 -1.43 0.14 0.00 0.82 0.00 0.00 66.70 66.24 1j2q h VAL 189 Cb 0.00 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1j2q h VAL 189 CO 0.00 0.38 0.45 -0.08 0.02 0.00 0.00 177.57 178.34 1j2q h GLU 190 N -0.44 0.00 0.00 1.57 4.57 -0.39 0.52 114.58 120.41 1j2q h GLU 190 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1j2q h GLU 190 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1j2q h GLU 190 CO 0.02 0.00 -0.82 0.37 -1.18 0.00 0.00 179.01 177.40 1j2q h GLN 191 N 0.00 0.00 0.13 1.92 4.15 -1.75 -3.01 115.11 116.55 1j2q h GLN 191 Ca 0.24 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.35 1j2q h GLN 191 Cb 1.13 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 1j2q h GLN 191 CO -0.00 0.00 -1.48 0.82 -1.93 0.00 0.00 178.83 176.24 1j2q h ILE 192 N 0.00 1.22 -0.00 2.39 2.04 0.58 -3.22 117.51 120.52 1j2q h ILE 192 Ca 0.00 -2.83 0.00 0.00 1.00 0.00 0.00 64.86 63.03 1j2q h ILE 192 Cb 0.98 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1j2q h ILE 192 CO 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 178.15 178.84 1j2q n LEU 193 N -3.49 0.55 0.21 1.44 -0.00 -0.41 -3.31 117.00 112.00 1j2q n LEU 193 Ca -0.15 -0.02 0.07 0.00 -0.00 0.00 0.00 56.01 55.91 1j2q n LEU 193 Cb 1.04 -0.19 0.47 0.00 -0.00 0.00 0.00 43.42 44.74 1j2q n LEU 193 CO 0.52 0.10 0.79 0.00 -0.00 0.00 0.00 177.39 178.80 1j2q h ALA 194 N 3.57 1.22 0.00 1.47 0.00 -1.36 -1.72 119.26 122.45 1j2q h ALA 194 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1j2q h ALA 194 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j2q h ALA 194 CO 0.00 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.24 1j2q n LYS 195 N -3.76 0.99 0.00 0.00 5.02 -1.21 -4.27 118.16 114.92 1j2q n LYS 195 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1j2q n LYS 195 Cb 0.39 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.25 0.00 -0.56 2.13 0.99 -0.65 -5.07 117.46 114.04 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 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.60 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 -1.05 0.14 0.00 -1.08 3.00 -1.18 -5.17 116.66 111.32 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 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.45 1j2q n ARG 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26