#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 -0.21 0.01 12.58 -1.32 -1.25 -0.45 115.64 125.00 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 -0.04 0.42 -2.21 0.00 0.00 174.62 172.79 1j2q s THR 3 N 1.83 0.24 0.23 5.08 -4.23 0.70 -2.82 115.64 116.67 1j2q s THR 3 Ca -0.08 -0.47 0.07 0.00 -1.18 0.00 0.00 61.69 60.03 1j2q s THR 3 Cb -0.06 -0.27 -0.05 0.00 1.34 0.00 0.00 72.50 73.46 1j2q s THR 3 CO -0.18 -0.15 -0.11 0.68 -0.54 0.00 0.00 174.62 174.32 1j2q s VAL 4 N -0.62 1.64 -0.21 2.29 -7.23 0.11 0.92 120.40 117.30 1j2q s VAL 4 Ca -0.05 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 57.84 1j2q s VAL 4 Cb -0.05 -2.18 0.07 0.00 0.56 0.00 0.00 36.38 34.78 1j2q s VAL 4 CO -0.00 -0.49 0.52 -0.83 -0.31 0.00 0.00 175.10 173.98 1j2q s GLY 5 N -3.35 -0.45 -0.02 2.32 0.00 0.45 -1.79 107.32 104.48 1j2q s GLY 5 Ca 0.25 1.87 0.01 0.00 0.00 0.00 0.00 44.72 46.86 1j2q s GLY 5 CO 0.08 2.01 -0.05 0.48 0.00 0.00 0.00 173.10 175.63 1j2q s LEU 6 N 1.58 1.71 -0.35 0.66 2.34 -0.09 -1.56 118.68 122.97 1j2q s LEU 6 Ca -0.09 -0.10 -0.17 0.00 0.06 0.00 0.00 54.13 53.82 1j2q s LEU 6 Cb -0.07 -0.33 -0.01 0.00 -0.56 0.00 0.00 46.19 45.22 1j2q s LEU 6 CO -0.16 0.01 0.48 0.68 -1.06 0.00 0.00 176.35 176.31 1j2q s VAL 7 N 0.31 5.05 0.62 1.48 -7.23 -0.27 -1.67 120.40 118.69 1j2q s VAL 7 Ca -0.03 0.27 0.05 0.00 -1.81 0.00 0.00 61.98 60.46 1j2q s VAL 7 Cb -0.07 -3.93 0.10 0.00 0.56 0.00 0.00 36.38 33.03 1j2q s VAL 7 CO -0.00 -0.19 0.86 0.00 -0.31 0.00 0.00 175.10 175.46 1j2q h LYS 9 N -0.08 0.10 -0.45 0.00 2.10 -1.56 -3.25 116.57 113.43 1j2q h LYS 9 Ca -0.34 -0.07 -0.27 0.00 -2.00 0.00 0.00 60.65 57.98 1j2q h LYS 9 Cb 1.28 0.01 -0.16 0.00 -0.90 0.00 0.00 32.23 32.45 1j2q h LYS 9 CO 0.41 0.63 -0.11 -0.40 -2.00 0.00 0.00 179.45 177.98 1j2q n ASP 10 N -3.89 3.14 0.00 7.07 5.75 -1.26 -5.08 116.55 122.28 1j2q n ASP 10 Ca -0.02 -3.80 0.00 0.00 -0.01 0.00 0.00 54.79 50.97 1j2q n ASP 10 Cb 0.57 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.06 0.64 2.99 6.12 0.00 -1.23 -4.65 105.19 108.00 1j2q n GLY 11 Ca 0.37 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.09 0.45 -0.02 1.61 1.01 -0.39 -1.06 120.40 118.91 1j2q s VAL 12 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1j2q s VAL 12 Cb 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1j2q s VAL 12 CO 0.00 -0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.21 1j2q s VAL 13 N -0.54 1.14 -0.03 2.92 1.01 -0.67 -0.35 120.40 123.88 1j2q s VAL 13 Ca -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1j2q s VAL 13 Cb -0.05 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1j2q s VAL 13 CO -0.00 0.33 0.07 -0.04 0.00 0.00 0.00 175.10 175.46 1j2q s MET 14 N -0.20 0.07 0.07 2.72 -1.94 -0.70 -0.91 119.30 118.40 1j2q s MET 14 Ca 0.03 0.11 -0.10 0.00 -1.71 0.00 0.00 55.69 54.02 1j2q s MET 14 Cb -0.07 0.01 0.01 0.00 2.01 0.00 0.00 34.83 36.78 1j2q s MET 14 CO 0.00 -0.03 0.23 0.00 -0.01 0.00 0.00 175.02 175.21 1j2q s ALA 15 N 0.17 -0.39 0.19 3.03 0.00 -0.74 -0.37 121.76 123.64 1j2q s ALA 15 Ca -0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 1j2q s ALA 15 Cb -0.02 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1j2q s ALA 15 CO -0.00 -0.47 0.41 0.95 0.00 0.00 0.00 175.76 176.64 1j2q s THR 16 N -3.34 0.04 0.08 0.00 -4.23 -0.70 -0.71 115.64 106.78 1j2q s THR 16 Ca 0.01 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1j2q s THR 16 Cb 0.02 -1.79 0.01 0.00 1.34 0.00 0.00 72.50 72.09 1j2q s THR 16 CO -0.08 -0.19 0.11 -1.84 -0.54 0.00 0.00 174.62 172.08 1j2q n GLU 17 N -0.29 0.89 -0.17 3.99 -0.00 -1.13 -0.45 120.64 123.49 1j2q n GLU 17 Ca -0.08 -0.40 0.08 0.00 -0.00 0.00 0.00 57.16 56.76 1j2q n GLU 17 Cb 0.63 -0.04 0.16 0.00 -0.00 0.00 0.00 31.44 32.18 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 -1.18 2.07 -3.40 3.44 4.76 -1.07 -4.74 118.16 118.04 1j2q n LYS 18 Ca 0.02 -2.48 -0.38 0.00 -2.87 0.00 0.00 58.31 52.60 1j2q n LYS 18 Cb 0.08 -1.52 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 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 -2.51 4.04 -0.07 1.97 3.52 -0.99 -0.94 118.95 123.98 1j2q s ARG 19 Ca 0.30 0.54 0.01 0.00 -0.13 0.00 0.00 55.73 56.46 1j2q s ARG 19 Cb 0.25 -3.23 0.02 0.00 -1.56 0.00 0.00 34.95 30.42 1j2q s ARG 19 CO 0.05 0.65 -0.10 0.00 -0.81 0.00 0.00 175.30 175.10 1j2q s ALA 20 N -1.03 1.16 0.15 6.12 0.00 -0.58 -4.43 121.76 123.14 1j2q s ALA 20 Ca 0.26 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.90 1j2q s ALA 20 Cb -0.18 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1j2q s ALA 20 CO 0.16 -0.01 -0.12 0.95 0.00 0.00 0.00 175.76 176.73 1j2q s THR 21 N 0.92 1.30 -0.35 0.00 -4.23 -1.26 -0.54 115.64 111.48 1j2q s THR 21 Ca -0.10 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.41 1j2q s THR 21 Cb -0.15 -1.79 0.14 0.00 1.34 0.00 0.00 72.50 72.03 1j2q s THR 21 CO 0.01 -0.64 0.21 -0.32 -0.54 0.00 0.00 174.62 173.34 1j2q s MET 22 N -3.45 0.58 5.47 3.99 1.75 -0.61 -4.89 119.30 122.15 1j2q s MET 22 Ca 0.16 -1.32 0.00 0.00 -1.25 0.00 0.00 55.69 53.27 1j2q s MET 22 Cb 0.00 -1.38 0.00 0.00 2.84 0.00 0.00 34.83 36.29 1j2q s MET 22 CO 0.02 -1.19 0.00 0.41 -0.65 0.00 0.00 175.02 173.61 1j2q n GLY 23 N 4.10 0.59 0.16 2.11 0.00 -1.26 -2.45 105.19 108.44 1j2q n GLY 23 Ca 0.10 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 6.35 1.19 -4.67 1.61 5.03 -1.26 -4.89 115.26 118.62 1j2q n ASN 24 Ca 0.00 -1.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.03 1j2q n ASN 24 Cb 0.00 0.64 -0.03 0.00 -1.02 0.00 0.00 39.78 39.38 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 -2.81 2.40 -0.62 3.10 5.36 -1.02 -4.94 117.98 119.44 1j2q s PHE 25 Ca 0.13 0.53 -0.24 0.00 -0.96 0.00 0.00 56.93 56.39 1j2q s PHE 25 Cb 0.17 -3.76 0.05 0.00 -0.34 0.00 0.00 43.02 39.14 1j2q s PHE 25 CO 0.73 -3.03 1.01 0.42 -1.46 0.00 0.00 175.22 172.88 1j2q s ILE 26 N 3.48 4.25 0.09 3.12 1.01 -1.26 -1.57 121.20 130.32 1j2q s ILE 26 Ca 0.67 0.07 0.08 0.00 0.00 0.00 0.00 60.65 61.46 1j2q s ILE 26 Cb -0.30 -4.66 -0.19 0.00 0.01 0.00 0.00 42.46 37.31 1j2q s ILE 26 CO 0.25 -1.37 1.26 0.00 0.00 0.00 0.00 174.94 175.08 1j2q h ALA 27 N 9.53 0.40 -2.93 9.38 0.00 -1.16 -3.47 119.26 131.01 1j2q h ALA 27 Ca -0.27 -0.90 -0.14 0.00 0.00 0.00 0.00 54.91 53.59 1j2q h ALA 27 Cb 1.07 -0.12 -0.25 0.00 0.00 0.00 0.00 17.79 18.49 1j2q h ALA 27 CO 1.16 1.22 -0.34 0.45 0.00 0.00 0.00 179.25 181.74 1j2q s SER 28 N -6.66 -0.33 0.00 0.00 0.15 -0.77 -4.97 113.70 101.13 1j2q s SER 28 Ca 0.01 0.61 0.19 0.00 0.70 0.00 0.00 55.95 57.46 1j2q s SER 28 Cb 0.10 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 65.03 1j2q s SER 28 CO 0.81 -0.13 0.97 0.29 1.20 0.00 0.00 173.24 176.38 1j2q n LYS 29 N 2.80 1.45 -2.82 5.44 4.76 -1.26 -1.53 118.16 127.00 1j2q n LYS 29 Ca -0.13 -0.89 -0.01 0.00 -2.87 0.00 0.00 58.31 54.41 1j2q n LYS 29 Cb 0.58 -1.37 0.05 0.00 -1.84 0.00 0.00 35.03 32.44 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 -0.09 2.64 -1.76 7.82 0.00 -0.97 -4.57 120.51 123.57 1j2q n ALA 30 Ca 0.08 -2.78 -0.38 0.00 0.00 0.00 0.00 53.44 50.36 1j2q n ALA 30 Cb 0.40 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.80 3.07 -0.08 0.00 0.00 -0.12 -4.99 121.76 115.85 1j2q s ALA 31 Ca 0.28 1.17 -0.19 0.00 0.00 0.00 0.00 51.96 53.22 1j2q s ALA 31 Cb 0.32 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1j2q s ALA 31 CO -0.04 -0.90 0.51 0.21 0.00 0.00 0.00 175.76 175.54 1j2q s LYS 32 N -2.53 4.30 -0.00 0.00 2.20 -1.26 -4.58 119.74 117.87 1j2q s LYS 32 Ca 0.62 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1j2q s LYS 32 Cb -0.36 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1j2q s LYS 32 CO 0.44 0.25 0.63 1.63 -0.36 0.00 0.00 175.35 177.94 1j2q n LYS 33 N 3.31 0.53 -3.90 4.03 5.02 -1.26 -4.97 118.16 120.91 1j2q n LYS 33 Ca -0.07 -0.74 -0.27 0.00 -2.02 0.00 0.00 58.31 55.21 1j2q n LYS 33 Cb 0.52 -0.60 -0.17 0.00 -0.02 0.00 0.00 35.03 34.76 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 -0.21 1.04 0.11 -0.18 -1.16 -1.26 -0.91 121.20 118.63 1j2q s ILE 34 Ca 0.00 -0.37 0.09 0.00 -0.51 0.00 0.00 60.65 59.86 1j2q s ILE 34 Cb 0.00 -1.11 -0.04 0.00 0.61 0.00 0.00 42.46 41.93 1j2q s ILE 34 CO 0.00 0.31 -0.21 -0.31 -2.81 0.00 0.00 174.94 171.92 1j2q s TYR 35 N 1.69 2.46 -0.22 3.50 2.02 0.15 -4.95 117.35 122.00 1j2q s TYR 35 Ca 0.04 -0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.32 1j2q s TYR 35 Cb -0.13 -1.33 -0.05 0.00 -0.40 0.00 0.00 41.96 40.05 1j2q s TYR 35 CO -0.08 0.35 0.22 -1.14 -1.57 0.00 0.00 175.55 173.34 1j2q s GLN 36 N -2.04 4.12 -0.24 -0.62 0.74 -1.26 -0.41 119.66 119.96 1j2q s GLN 36 Ca 0.16 -0.13 -0.16 0.00 0.05 0.00 0.00 55.36 55.29 1j2q s GLN 36 Cb -0.10 -3.52 -0.16 0.00 1.10 0.00 0.00 33.01 30.32 1j2q s GLN 36 CO 0.08 0.07 -0.07 -0.89 -0.55 0.00 0.00 175.29 173.93 1j2q n ILE 37 N 4.19 1.55 -4.20 -2.34 2.08 -0.35 -4.94 119.36 115.36 1j2q n ILE 37 Ca -0.13 -0.27 -0.11 0.00 0.56 0.00 0.00 62.75 62.80 1j2q n ILE 37 Cb 0.52 -1.91 -0.04 0.00 -0.75 0.00 0.00 39.64 37.46 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 -3.77 0.33 -0.25 -1.39 0.00 -1.14 -4.72 120.51 109.57 1j2q n ALA 38 Ca -0.44 -1.02 -0.02 0.00 0.00 0.00 0.00 53.44 51.97 1j2q n ALA 38 Cb 0.82 0.76 0.17 0.00 0.00 0.00 0.00 19.45 21.20 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 0.94 0.96 -0.80 0.00 3.32 -1.97 -3.14 116.42 115.72 1j2q h ASP 39 Ca -0.14 -0.07 -0.50 0.00 0.02 0.00 0.00 57.03 56.34 1j2q h ASP 39 Cb 0.61 -0.24 -0.42 0.00 0.22 0.00 0.00 39.33 39.50 1j2q h ASP 39 CO 0.21 0.76 -0.87 0.54 -1.72 0.00 0.00 179.24 178.16 1j2q n ARG 40 N -4.36 3.21 -3.73 3.56 5.12 -1.26 -4.63 116.66 114.57 1j2q n ARG 40 Ca 0.08 -4.07 -0.13 0.00 -1.93 0.00 0.00 57.85 51.79 1j2q n ARG 40 Cb 0.09 -2.13 -0.14 0.00 -1.16 0.00 0.00 32.46 29.12 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 -3.61 0.13 0.33 5.56 1.75 -1.19 0.20 119.30 122.48 1j2q s MET 41 Ca 0.46 0.45 0.06 0.00 -1.25 0.00 0.00 55.69 55.41 1j2q s MET 41 Cb 0.40 -0.16 -0.07 0.00 2.84 0.00 0.00 34.83 37.84 1j2q s MET 41 CO -0.00 -0.18 0.01 0.00 -0.65 0.00 0.00 175.02 174.20 1j2q s ALA 42 N 1.31 2.57 -0.07 4.11 0.00 0.15 -1.21 121.76 128.62 1j2q s ALA 42 Ca -0.08 -2.08 -0.05 0.00 0.00 0.00 0.00 51.96 49.75 1j2q s ALA 42 Cb -0.11 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.42 1j2q s ALA 42 CO -0.07 -0.18 0.17 1.41 0.00 0.00 0.00 175.76 177.09 1j2q s MET 43 N -3.79 0.17 0.06 0.00 1.75 0.46 -1.46 119.30 116.49 1j2q s MET 43 Ca 0.34 0.31 0.06 0.00 -1.25 0.00 0.00 55.69 55.15 1j2q s MET 43 Cb 0.07 -0.01 -0.04 0.00 2.84 0.00 0.00 34.83 37.70 1j2q s MET 43 CO 0.15 -0.08 -0.09 0.95 -0.65 0.00 0.00 175.02 175.30 1j2q s THR 44 N 0.55 3.45 -0.12 10.11 -4.23 0.13 0.29 115.64 125.83 1j2q s THR 44 Ca -0.04 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 1j2q s THR 44 Cb -0.05 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.24 1j2q s THR 44 CO -0.03 0.23 -0.15 0.42 -0.54 0.00 0.00 174.62 174.55 1j2q s THR 45 N -1.12 1.52 0.05 3.99 -4.23 -0.09 -2.04 115.64 113.73 1j2q s THR 45 Ca 0.20 -0.64 0.09 0.00 -1.18 0.00 0.00 61.69 60.16 1j2q s THR 45 Cb -0.11 -1.40 -0.03 0.00 1.34 0.00 0.00 72.50 72.30 1j2q s THR 45 CO 0.11 0.45 -0.26 0.00 -0.54 0.00 0.00 174.62 174.38 1j2q s ALA 46 N 1.13 2.26 0.00 3.99 0.00 -0.19 -4.86 121.76 124.09 1j2q s ALA 46 Ca -0.03 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1j2q s ALA 46 Cb -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1j2q s ALA 46 CO -0.04 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.66 1j2q n GLY 47 N 1.72 0.24 3.69 0.00 0.00 -1.26 0.97 105.19 110.55 1j2q n GLY 47 Ca -0.17 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 6.86 0.09 1.61 0.15 0.10 -4.92 113.70 113.60 1j2q s SER 48 Ca 0.00 2.12 -0.30 0.00 0.70 0.00 0.00 55.95 58.47 1j2q s SER 48 Cb 0.00 -2.56 -0.13 0.00 -1.71 0.00 0.00 66.02 61.61 1j2q s SER 48 CO 0.00 -0.70 1.63 0.58 1.20 0.00 0.00 173.24 175.95 1j2q h VAL 49 N 4.84 0.35 -0.77 4.45 2.07 -1.95 0.16 116.25 125.39 1j2q h VAL 49 Ca -0.38 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1j2q h VAL 49 Cb 1.18 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1j2q h VAL 49 CO 0.89 0.00 0.47 1.23 0.02 0.00 0.00 177.57 180.19 1j2q h GLY 50 N -0.68 1.13 0.88 2.17 0.00 -1.98 0.94 103.07 105.52 1j2q h GLY 50 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1j2q h GLY 50 CO -0.04 0.26 0.02 -0.55 0.00 0.00 0.00 176.54 176.23 1j2q h ASP 51 N 0.89 0.48 -0.32 0.19 3.45 -1.86 -1.56 116.42 117.70 1j2q h ASP 51 Ca 0.33 -0.29 -0.00 0.00 0.43 0.00 0.00 57.03 57.50 1j2q h ASP 51 Cb 0.11 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 1j2q h ASP 51 CO -0.15 0.65 0.19 0.00 -1.57 0.00 0.00 179.24 178.36 1j2q h ALA 52 N 0.85 0.41 -0.51 3.45 0.00 -0.36 -0.48 119.26 122.62 1j2q h ALA 52 Ca 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1j2q h ALA 52 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1j2q h ALA 52 CO 0.01 -0.08 0.31 1.96 0.00 0.00 0.00 179.25 181.44 1j2q h GLN 53 N 0.41 0.68 0.21 0.00 4.20 -0.78 0.16 115.11 119.99 1j2q h GLN 53 Ca 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1j2q h GLN 53 Cb 0.02 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1j2q h GLN 53 CO -0.02 0.50 -0.10 0.35 -0.67 0.00 0.00 178.83 178.88 1j2q h PHE 54 N 0.68 -0.27 -0.59 2.96 3.57 -1.07 -2.59 116.94 119.62 1j2q h PHE 54 Ca 0.18 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.69 1j2q h PHE 54 Cb -0.01 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1j2q h PHE 54 CO -0.03 -0.15 0.37 -0.07 -2.23 0.00 0.00 178.31 176.20 1j2q h LEU 55 N -0.30 0.62 -0.53 0.59 4.07 -0.85 -2.61 115.31 116.29 1j2q h LEU 55 Ca -0.03 -0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.03 1j2q h LEU 55 Cb 0.23 -0.14 -0.08 0.00 1.08 0.00 0.00 40.66 41.75 1j2q h LEU 55 CO 0.05 0.44 0.03 0.00 -1.08 0.00 0.00 178.44 177.88 1j2q h ALA 56 N 1.24 0.54 0.05 1.53 0.00 -0.48 0.65 119.26 122.79 1j2q h ALA 56 Ca 0.23 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1j2q h ALA 56 Cb -0.02 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1j2q h ALA 56 CO -0.08 -0.37 -0.17 0.00 0.00 0.00 0.00 179.25 178.63 1j2q h ARG 57 N 0.15 -0.30 -0.26 0.00 3.08 -1.10 -0.24 114.38 115.71 1j2q h ARG 57 Ca 0.27 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.40 1j2q h ARG 57 Cb 0.41 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 1j2q h ARG 57 CO -0.42 -0.20 -0.10 0.82 -1.07 0.00 0.00 179.97 179.00 1j2q h ILE 58 N -0.31 0.67 0.01 2.04 1.08 -1.06 -1.22 117.51 118.72 1j2q h ILE 58 Ca 0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.54 1j2q h ILE 58 Cb 0.35 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 1j2q h ILE 58 CO -0.13 0.00 -0.36 0.40 -0.69 0.00 0.00 178.15 177.37 1j2q h ILE 59 N -0.05 0.24 0.20 -0.67 1.08 -0.37 -0.59 117.51 117.36 1j2q h ILE 59 Ca 0.13 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1j2q h ILE 59 Cb 0.25 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 1j2q h ILE 59 CO -0.30 0.00 -0.51 0.11 -0.69 0.00 0.00 178.15 176.76 1j2q h LYS 60 N -0.52 -0.76 -0.88 2.37 1.57 -0.70 -0.73 116.57 116.92 1j2q h LYS 60 Ca 0.05 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.08 1j2q h LYS 60 Cb 0.60 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.97 1j2q h LYS 60 CO -0.28 -0.51 0.41 0.82 -0.57 0.00 0.00 179.45 179.32 1j2q h ILE 61 N -0.79 0.56 0.00 1.86 5.03 -1.04 0.44 117.51 123.57 1j2q h ILE 61 Ca -0.02 -0.16 -0.12 0.00 -0.12 0.00 0.00 64.86 64.44 1j2q h ILE 61 Cb 0.77 0.05 -0.02 0.00 -3.03 0.00 0.00 36.82 34.58 1j2q h ILE 61 CO -0.23 0.09 -0.58 -0.33 -0.68 0.00 0.00 178.15 176.42 1j2q h GLU 62 N 0.48 0.00 -0.17 2.37 5.08 -0.67 -0.75 114.58 120.92 1j2q h GLU 62 Ca 0.53 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.77 1j2q h GLU 62 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1j2q h GLU 62 CO -0.47 0.58 -0.33 0.00 -1.00 0.00 0.00 179.01 177.79 1j2q h ALA 63 N 1.42 0.26 0.65 3.43 0.00 0.49 -2.04 119.26 123.48 1j2q h ALA 63 Ca -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1j2q h ALA 63 Cb 1.12 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1j2q h ALA 63 CO 0.08 0.31 -0.41 -0.91 0.00 0.00 0.00 179.25 178.31 1j2q h ASN 64 N 0.16 -1.05 -1.01 0.00 2.35 -0.84 -2.43 115.58 112.77 1j2q h ASN 64 Ca 0.01 0.06 0.24 0.00 -0.55 0.00 0.00 56.30 56.06 1j2q h ASN 64 Cb 0.93 0.31 -0.09 0.00 0.05 0.00 0.00 38.32 39.52 1j2q h ASN 64 CO 0.07 -0.63 0.65 0.25 -1.65 0.00 0.00 177.43 176.13 1j2q h LEU 65 N -1.00 0.48 0.32 1.61 5.85 -1.21 -0.16 115.31 121.20 1j2q h LEU 65 Ca -0.09 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1j2q h LEU 65 Cb 0.80 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1j2q h LEU 65 CO 0.08 0.12 -0.16 0.22 -0.34 0.00 0.00 178.44 178.36 1j2q h TYR 66 N 0.44 -0.42 0.09 1.25 3.20 -0.98 -0.75 116.97 119.80 1j2q h TYR 66 Ca 0.57 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.42 1j2q h TYR 66 Cb 1.37 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.78 1j2q h TYR 66 CO -0.00 -0.26 -0.04 1.49 -1.64 0.00 0.00 178.16 177.70 1j2q h GLU 67 N -0.44 -0.12 -0.73 1.82 4.81 -0.71 0.96 114.58 120.17 1j2q h GLU 67 Ca -0.04 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1j2q h GLU 67 Cb 0.35 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.67 1j2q h GLU 67 CO 0.06 0.13 0.31 0.82 -0.73 0.00 0.00 179.01 179.60 1j2q h ILE 68 N -0.35 0.72 -0.06 2.32 5.03 -1.08 1.01 117.51 125.11 1j2q h ILE 68 Ca -0.01 -0.17 -0.10 0.00 -0.12 0.00 0.00 64.86 64.46 1j2q h ILE 68 Cb 0.30 0.19 0.01 0.00 -3.03 0.00 0.00 36.82 34.28 1j2q h ILE 68 CO 0.02 0.09 -0.36 0.03 -0.68 0.00 0.00 178.15 177.25 1j2q h ARG 69 N 0.49 0.35 -0.02 2.37 3.08 -1.02 -3.34 114.38 116.29 1j2q h ARG 69 Ca 0.39 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1j2q h ARG 69 Cb 0.53 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1j2q h ARG 69 CO -0.35 0.95 -0.00 0.54 -1.07 0.00 0.00 179.97 180.03 1j2q n ARG 70 N -4.39 2.09 -1.95 0.04 1.74 0.32 -4.95 116.66 109.56 1j2q n ARG 70 Ca -0.09 -1.58 -0.15 0.00 -0.77 0.00 0.00 57.85 55.26 1j2q n ARG 70 Cb 0.53 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 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 0.92 -1.70 -4.11 5.56 1.02 0.35 -4.93 120.64 117.74 1j2q n GLU 71 Ca 0.16 0.81 -0.15 0.00 -0.02 0.00 0.00 57.16 57.96 1j2q n GLU 71 Cb 0.51 -5.27 -0.12 0.00 -0.02 0.00 0.00 31.44 26.54 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 -4.19 0.62 0.34 3.49 0.52 -1.23 -5.05 118.95 113.45 1j2q s ARG 72 Ca 0.00 -0.77 -0.21 0.00 -0.52 0.00 0.00 55.73 54.24 1j2q s ARG 72 Cb 0.00 -0.47 -0.10 0.00 0.52 0.00 0.00 34.95 34.90 1j2q s ARG 72 CO 0.00 0.10 0.86 0.15 0.02 0.00 0.00 175.30 176.42 1j2q s LYS 73 N -1.50 4.26 0.28 3.54 1.02 -1.26 -3.57 119.74 122.51 1j2q s LYS 73 Ca -0.07 1.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.65 1j2q s LYS 73 Cb -0.09 -2.52 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 1j2q s LYS 73 CO 0.01 0.17 0.97 -1.25 -0.92 0.00 0.00 175.35 174.32 1j2q s PRO 74 N -2.64 4.72 0.63 -1.68 0.04 -1.26 -4.98 135.00 129.84 1j2q s PRO 74 Ca 0.54 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 1j2q s PRO 74 Cb -0.13 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 1j2q s PRO 74 CO 0.18 0.39 1.05 -0.08 0.04 0.00 0.00 177.00 178.58 1j2q s THR 75 N -1.32 3.94 0.33 1.26 -1.32 -1.26 -4.89 115.64 112.37 1j2q s THR 75 Ca 0.45 0.80 0.00 0.00 -1.21 0.00 0.00 61.69 61.73 1j2q s THR 75 Cb -0.24 -3.41 0.26 0.00 -1.51 0.00 0.00 72.50 67.60 1j2q s THR 75 CO 0.31 -0.66 1.99 -0.37 -2.21 0.00 0.00 174.62 173.67 1j2q h VAL 76 N -0.01 1.19 -0.53 5.08 -1.51 -1.96 -1.71 116.25 116.80 1j2q h VAL 76 Ca -0.46 -0.35 0.05 0.00 -1.23 0.00 0.00 66.70 64.71 1j2q h VAL 76 Cb 1.21 0.14 -0.05 0.00 -2.13 0.00 0.00 31.29 30.47 1j2q h VAL 76 CO 0.57 0.18 0.27 -0.09 -1.23 0.00 0.00 177.57 177.27 1j2q h ARG 77 N 0.97 0.50 -0.59 5.19 2.43 -1.95 0.26 114.38 121.18 1j2q h ARG 77 Ca 0.26 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1j2q h ARG 77 Cb -0.10 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 1j2q h ARG 77 CO -0.05 0.33 0.30 0.00 -1.51 0.00 0.00 179.97 179.04 1j2q h ALA 78 N 1.29 0.76 -0.45 2.80 0.00 -1.70 0.14 119.26 122.10 1j2q h ALA 78 Ca 0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1j2q h ALA 78 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1j2q h ALA 78 CO -0.17 0.31 -0.20 0.82 0.00 0.00 0.00 179.25 180.01 1j2q h ILE 79 N 0.81 1.27 -0.57 0.00 1.08 -0.89 -0.74 117.51 118.46 1j2q h ILE 79 Ca 0.21 -1.34 -0.09 0.00 -0.39 0.00 0.00 64.86 63.24 1j2q h ILE 79 Cb 0.09 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1j2q h ILE 79 CO -0.03 0.46 0.01 0.00 -0.69 0.00 0.00 178.15 177.90 1j2q h ALA 80 N 0.98 0.77 -0.34 1.87 0.00 -0.09 0.11 119.26 122.56 1j2q h ALA 80 Ca 0.11 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1j2q h ALA 80 Cb 0.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1j2q h ALA 80 CO 0.06 0.60 -0.18 1.15 0.00 0.00 0.00 179.25 180.88 1j2q h THR 81 N 0.90 1.29 0.15 0.00 2.02 -0.65 -0.17 112.91 116.44 1j2q h THR 81 Ca 0.16 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 66.06 1j2q h THR 81 Cb 0.53 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1j2q h THR 81 CO 0.03 0.42 -0.22 0.25 0.37 0.00 0.00 175.52 176.37 1j2q h LEU 82 N 0.50 -0.60 -1.19 2.58 5.85 -0.94 -1.57 115.31 119.94 1j2q h LEU 82 Ca 0.08 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1j2q h LEU 82 Cb 0.72 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1j2q h LEU 82 CO 0.05 -0.31 0.19 0.74 -0.34 0.00 0.00 178.44 178.78 1j2q h THR 83 N -0.43 1.20 0.87 1.05 2.02 -0.91 -2.43 112.91 114.29 1j2q h THR 83 Ca 0.02 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 1j2q h THR 83 Cb 0.43 0.59 0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1j2q h THR 83 CO -0.10 0.25 -0.42 0.28 0.37 0.00 0.00 175.52 175.90 1j2q h SER 84 N 0.75 -0.99 -0.71 4.18 0.02 -0.61 -0.91 113.55 115.27 1j2q h SER 84 Ca 0.18 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.31 1j2q h SER 84 Cb 0.17 0.26 -0.10 0.00 0.14 0.00 0.00 62.40 62.87 1j2q h SER 84 CO -0.01 -0.70 0.19 0.78 -1.14 0.00 0.00 176.83 175.94 1j2q h ASN 85 N -1.18 0.06 0.06 3.07 -0.26 -1.19 0.18 115.58 116.33 1j2q h ASN 85 Ca -0.12 0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1j2q h ASN 85 Cb 0.90 0.17 0.00 0.00 -1.06 0.00 0.00 38.32 38.32 1j2q h ASN 85 CO 0.20 -0.00 -0.03 0.25 -1.06 0.00 0.00 177.43 176.78 1j2q h LEU 86 N 0.30 -0.07 -0.09 1.61 5.85 -1.29 -0.47 115.31 121.15 1j2q h LEU 86 Ca 0.39 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.08 1j2q h LEU 86 Cb 0.64 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1j2q h LEU 86 CO -0.47 0.01 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.53 1j2q h LEU 87 N -0.15 -0.15 -1.35 2.25 -0.00 -0.37 -2.83 115.31 112.71 1j2q h LEU 87 Ca -0.01 0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 1j2q h LEU 87 Cb 0.12 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1j2q h LEU 87 CO 0.01 -0.06 -0.09 -1.13 -0.00 0.00 0.00 178.44 177.18 1j2q h ASN 88 N -0.04 0.31 -0.07 -0.43 -0.73 -0.53 -1.81 115.58 112.28 1j2q h ASN 88 Ca 0.05 -0.06 0.02 0.00 1.87 0.00 0.00 56.30 58.18 1j2q h ASN 88 Cb 0.12 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.62 1j2q h ASN 88 CO -0.12 0.44 0.05 0.77 -0.37 0.00 0.00 177.43 178.20 1j2q h SER 89 N 0.32 0.00 -0.82 1.15 4.64 -0.83 0.45 113.55 118.46 1j2q h SER 89 Ca 0.07 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.08 1j2q h SER 89 Cb 0.35 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.26 1j2q h SER 89 CO 0.02 0.00 0.39 -1.22 -0.87 0.00 0.00 176.83 175.15 1j2q n TYR 90 N -4.46 2.65 0.30 4.77 4.01 -0.69 -4.67 117.16 119.08 1j2q n TYR 90 Ca -0.01 -1.39 0.18 0.00 -0.16 0.00 0.00 57.90 56.52 1j2q n TYR 90 Cb 0.16 -0.77 0.93 0.00 -0.31 0.00 0.00 39.34 39.34 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 2.15 0.00 -0.33 -0.72 0.11 -0.87 0.21 114.38 114.93 1j2q h ARG 91 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 1j2q h ARG 91 Cb 2.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.59 1j2q h ARG 91 CO 0.86 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.59 1j2q n TYR 92 N -3.14 0.43 -2.69 4.08 4.01 -1.26 -4.13 117.16 114.46 1j2q n TYR 92 Ca -0.01 -0.22 -0.06 0.00 -0.16 0.00 0.00 57.90 57.45 1j2q n TYR 92 Cb 0.30 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.42 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 0.91 -1.71 -0.90 -0.72 3.01 -0.65 -5.16 117.46 112.24 1j2q n PHE 93 Ca 0.17 -1.47 -0.33 0.00 1.01 0.00 0.00 57.45 56.83 1j2q n PHE 93 Cb 0.45 1.43 0.12 0.00 -0.01 0.00 0.00 39.48 41.48 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 -0.01 -0.15 -2.85 -1.08 -0.04 0.65 -4.94 135.00 126.57 1j2q n PRO 94 Ca -0.05 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 1j2q n PRO 94 Cb 0.74 -2.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 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 -2.32 3.00 -1.07 0.54 1.51 -1.26 -4.93 117.35 112.81 1j2q s TYR 95 Ca 0.63 0.48 -0.25 0.00 -1.01 0.00 0.00 57.07 56.92 1j2q s TYR 95 Cb -0.25 -3.77 -0.15 0.00 -0.11 0.00 0.00 41.96 37.69 1j2q s TYR 95 CO 0.62 -0.96 2.06 -0.51 -1.11 0.00 0.00 175.55 175.65 1j2q s LEU 96 N 3.53 2.75 -0.06 -1.29 1.02 -1.26 -4.45 118.68 118.92 1j2q s LEU 96 Ca 0.36 -1.09 -0.12 0.00 0.02 0.00 0.00 54.13 53.30 1j2q s LEU 96 Cb -0.11 -2.59 0.02 0.00 0.02 0.00 0.00 46.19 43.54 1j2q s LEU 96 CO 0.23 -3.85 0.29 0.54 0.02 0.00 0.00 176.35 173.57 1j2q s VAL 97 N 13.90 0.03 -0.20 -1.59 0.11 -1.26 0.02 120.40 131.41 1j2q s VAL 97 Ca 0.77 -0.29 -0.01 0.00 -2.93 0.00 0.00 61.98 59.52 1j2q s VAL 97 Cb -0.04 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1j2q s VAL 97 CO 0.13 -0.16 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.51 1j2q s GLN 98 N -0.67 3.06 0.13 1.54 -1.52 0.27 -2.60 119.66 119.87 1j2q s GLN 98 Ca -0.08 -0.81 0.07 0.00 -1.95 0.00 0.00 55.36 52.60 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 0.02 -0.25 -0.06 -0.51 -0.25 0.00 0.00 175.29 174.25 1j2q s LEU 99 N 1.34 3.17 -0.21 2.90 1.43 0.75 -1.03 118.68 127.03 1j2q s LEU 99 Ca 0.04 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1j2q s LEU 99 Cb -0.14 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.24 1j2q s LEU 99 CO -0.09 0.14 -0.01 -0.22 0.23 0.00 0.00 176.35 176.41 1j2q s LEU 100 N -2.51 1.83 -0.23 1.79 2.96 -0.86 0.49 118.68 122.14 1j2q s LEU 100 Ca 0.24 -0.97 0.02 0.00 -0.22 0.00 0.00 54.13 53.20 1j2q s LEU 100 Cb -0.10 -0.88 0.05 0.00 0.50 0.00 0.00 46.19 45.76 1j2q s LEU 100 CO 0.16 -0.27 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.18 1j2q s ILE 101 N 1.64 1.95 0.36 6.68 1.01 0.20 -0.69 121.20 132.35 1j2q s ILE 101 Ca -0.03 -1.36 -0.09 0.00 0.00 0.00 0.00 60.65 59.17 1j2q s ILE 101 Cb -0.18 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.28 1j2q s ILE 101 CO -0.07 0.07 0.62 -0.83 0.00 0.00 0.00 174.94 174.74 1j2q s GLY 102 N 1.23 0.91 0.00 6.18 0.00 -0.53 -1.32 107.32 113.78 1j2q s GLY 102 Ca -0.05 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1j2q s GLY 102 CO -0.07 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 172.99 1j2q n GLY 103 N -0.54 -0.25 3.29 0.20 0.00 -0.77 0.29 105.19 107.41 1j2q n GLY 103 Ca -0.03 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.87 1.95 0.35 -0.61 1.01 0.13 -2.46 121.20 117.71 1j2q s ILE 104 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 60.65 59.48 1j2q s ILE 104 Cb 0.00 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1j2q s ILE 104 CO 0.00 0.52 0.58 1.51 0.00 0.00 0.00 174.94 177.55 1j2q s ASP 105 N -0.67 0.50 0.62 3.58 3.84 0.41 -4.67 116.67 120.28 1j2q s ASP 105 Ca 0.10 -1.31 0.25 0.00 -0.00 0.00 0.00 52.55 51.59 1j2q s ASP 105 Cb -0.09 0.72 1.23 0.00 -1.38 0.00 0.00 42.92 43.39 1j2q s ASP 105 CO -0.01 -1.41 1.68 0.77 -0.00 0.00 0.00 175.17 176.20 1j2q h SER 106 N 2.08 0.00 0.83 2.11 4.64 -1.96 0.34 113.55 121.59 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 -0.56 -0.62 -0.87 0.00 0.00 176.83 175.17 1j2q n GLU 106 N -3.22 0.23 0.00 4.77 1.02 -1.26 -5.06 120.64 117.11 1j2q n GLU 106 Ca 0.07 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1j2q n GLU 106 Cb 0.78 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 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 1.37 0.29 3.30 0.62 0.00 0.12 -5.05 105.19 105.84 1j2q n GLY 107 Ca 0.04 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.16 2.01 -0.05 1.61 1.02 -1.26 -0.45 119.74 121.46 1j2q s LYS 108 Ca 0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.77 1j2q s LYS 108 Cb 0.00 -1.96 0.11 0.00 -0.52 0.00 0.00 37.83 35.46 1j2q s LYS 108 CO 0.00 0.54 1.01 -1.54 -0.92 0.00 0.00 175.35 174.43 1j2q s SER 109 N -0.65 -0.27 0.02 2.83 1.04 -1.03 -5.04 113.70 110.61 1j2q s SER 109 Ca 0.10 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.51 1j2q s SER 109 Cb -0.10 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1j2q s SER 109 CO -0.01 -0.51 -0.07 -0.63 0.98 0.00 0.00 173.24 173.00 1j2q s ILE 110 N -2.89 0.49 -0.06 -1.02 1.01 -1.21 -1.86 121.20 115.65 1j2q s ILE 110 Ca 0.07 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1j2q s ILE 110 Cb -0.01 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.97 1j2q s ILE 110 CO -0.07 -0.19 -0.15 -0.31 0.00 0.00 0.00 174.94 174.23 1j2q s TYR 111 N -0.89 1.63 -0.23 3.97 1.51 -0.43 -0.18 117.35 122.74 1j2q s TYR 111 Ca -0.05 -0.57 -0.08 0.00 -1.01 0.00 0.00 57.07 55.36 1j2q s TYR 111 Cb -0.07 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1j2q s TYR 111 CO 0.00 -0.26 0.08 0.45 -1.11 0.00 0.00 175.55 174.72 1j2q s SER 112 N 0.43 5.41 -0.06 2.29 0.15 -0.56 -0.63 113.70 120.74 1j2q s SER 112 Ca -0.12 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.50 1j2q s SER 112 Cb -0.15 -1.96 -0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1j2q s SER 112 CO 0.04 0.05 -0.20 -0.63 1.20 0.00 0.00 173.24 173.70 1j2q s ILE 113 N 1.14 1.64 0.44 6.45 1.01 0.18 -0.98 121.20 131.09 1j2q s ILE 113 Ca 0.05 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1j2q s ILE 113 Cb -0.14 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 40.94 1j2q s ILE 113 CO 0.04 0.47 0.60 1.51 0.00 0.00 0.00 174.94 177.55 1j2q s ASP 114 N 0.10 5.58 0.35 3.58 3.84 -0.59 -0.18 116.67 129.35 1j2q s ASP 114 Ca -0.07 -0.47 0.17 0.00 -0.00 0.00 0.00 52.55 52.18 1j2q s ASP 114 Cb -0.13 -0.54 1.17 0.00 -1.38 0.00 0.00 42.92 42.04 1j2q s ASP 114 CO 0.04 -0.84 1.64 -0.65 -0.00 0.00 0.00 175.17 175.35 1j2q h PRO 115 N 0.57 0.22 -0.17 2.11 0.11 -1.72 0.50 132.00 133.63 1j2q h PRO 115 Ca -0.39 -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 0.15 0.00 -0.89 -0.21 0.00 0.00 178.00 177.49 1j2q n ILE 116 N -5.10 0.22 -1.55 4.15 -0.00 -1.26 -4.40 119.36 111.41 1j2q n ILE 116 Ca 0.34 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 1j2q n ILE 116 Cb 1.08 0.21 0.00 0.00 -0.00 0.00 0.00 39.64 40.93 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 1.02 0.43 3.62 7.39 0.00 0.18 -3.45 105.19 114.37 1j2q n GLY 117 Ca 0.14 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.95 1.76 -0.18 -0.02 0.00 -1.25 -4.75 107.32 99.93 1j2q s GLY 118 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.35 1j2q s GLY 118 CO 0.00 1.66 -0.13 0.00 0.00 0.00 0.00 173.10 174.63 1j2q s ALA 119 N 2.77 2.55 0.00 3.20 0.00 -1.26 -1.55 121.76 127.48 1j2q s ALA 119 Ca 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1j2q s ALA 119 Cb -0.15 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1j2q s ALA 119 CO 0.10 -0.18 0.00 -0.89 0.00 0.00 0.00 175.76 174.78 1j2q n ILE 120 N 4.33 0.00 -3.22 0.00 -0.00 -0.15 -4.92 119.36 115.40 1j2q n ILE 120 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1j2q n ILE 120 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.12 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 4.70 0.51 0.00 0.38 8.01 0.74 -1.50 118.70 131.53 1j2q s GLU 121 Ca 0.00 0.89 0.18 0.00 0.01 0.00 0.00 54.97 56.05 1j2q s GLU 121 Cb 0.00 0.28 0.54 0.00 -4.31 0.00 0.00 34.13 30.64 1j2q s GLU 121 CO 0.00 -0.61 1.42 1.63 0.01 0.00 0.00 175.26 177.71 1j2q n LYS 121 N 5.41 1.97 0.06 1.61 5.02 -1.26 -3.33 118.16 127.63 1j2q n LYS 121 Ca -0.02 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.79 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 0.70 -1.03 -4.24 4.39 5.68 -1.26 -4.81 116.55 115.98 1j2q n ASP 122 Ca 0.16 0.29 -0.26 0.00 -0.50 0.00 0.00 54.79 54.48 1j2q n ASP 122 Cb 0.39 1.21 -0.14 0.00 -1.14 0.00 0.00 41.12 41.44 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 -1.37 1.64 -0.28 2.12 -1.09 -1.26 -1.12 121.20 119.85 1j2q s ILE 123 Ca 0.00 -1.12 -0.23 0.00 -2.23 0.00 0.00 60.65 57.08 1j2q s ILE 123 Cb 0.00 -1.41 0.09 0.00 -1.58 0.00 0.00 42.46 39.56 1j2q s ILE 123 CO 0.00 0.26 0.83 0.54 -1.23 0.00 0.00 174.94 175.34 1j2q s VAL 124 N -0.72 0.00 0.23 2.92 0.11 -0.60 -4.96 120.40 117.38 1j2q s VAL 124 Ca 0.07 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.20 1j2q s VAL 124 Cb -0.09 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1j2q s VAL 124 CO 0.01 0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 171.68 1j2q s ALA 125 N 0.65 2.14 0.01 1.54 0.00 -1.26 -0.41 121.76 124.42 1j2q s ALA 125 Ca -0.02 -1.76 -0.17 0.00 0.00 0.00 0.00 51.96 50.01 1j2q s ALA 125 Cb -0.05 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1j2q s ALA 125 CO -0.06 0.00 0.38 0.99 0.00 0.00 0.00 175.76 177.06 1j2q s THR 127 N -3.01 0.05 0.00 0.00 2.01 0.26 -4.92 115.64 110.04 1j2q s THR 127 Ca 0.25 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1j2q s THR 127 Cb 0.01 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.72 1j2q s THR 127 CO 0.09 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 1j2q n GLY 128 N 0.91 0.87 0.32 4.40 0.00 -1.26 -0.21 105.19 110.22 1j2q n GLY 128 Ca -0.20 -2.07 0.21 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.02 1.61 4.64 -1.17 -1.33 113.55 117.29 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 -0.15 0.61 -0.87 0.00 0.00 176.83 176.42 1j2q n GLY 130 N -1.11 0.34 0.28 -0.77 0.00 -0.32 -4.66 105.19 98.95 1j2q n GLY 130 Ca -0.03 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.51 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 3.17 -0.12 -0.46 1.61 4.64 -1.36 -1.82 113.55 119.21 1j2q h SER 131 Ca 0.00 0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.53 1j2q h SER 131 Cb 0.75 0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 1j2q h SER 131 CO 0.00 -0.11 0.31 -0.07 -0.87 0.00 0.00 176.83 176.08 1j2q h LEU 132 N 0.19 0.44 0.10 5.97 3.38 -1.83 0.32 115.31 123.89 1j2q h LEU 132 Ca 0.44 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 58.17 1j2q h LEU 132 Cb 0.80 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.47 1j2q h LEU 132 CO -0.60 0.31 -0.98 0.74 0.09 0.00 0.00 178.44 178.01 1j2q h THR 133 N 0.52 1.38 -0.93 0.22 2.02 -1.71 -3.15 112.91 111.26 1j2q h THR 133 Ca 0.19 -2.39 0.05 0.00 0.77 0.00 0.00 66.41 65.03 1j2q h THR 133 Cb 0.11 2.81 -0.06 0.00 -1.74 0.00 0.00 68.15 69.27 1j2q h THR 133 CO -0.05 0.70 0.60 0.00 0.37 0.00 0.00 175.52 177.15 1j2q h ALA 134 N 0.24 1.25 -0.30 6.16 0.00 -0.68 -0.42 119.26 125.51 1j2q h ALA 134 Ca -0.15 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1j2q h ALA 134 Cb 1.70 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1j2q h ALA 134 CO 0.19 0.43 0.20 1.88 0.00 0.00 0.00 179.25 181.95 1j2q h TYR 135 N 1.13 0.26 0.36 0.00 -1.99 -0.42 -1.99 116.97 114.33 1j2q h TYR 135 Ca 0.38 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.12 1j2q h TYR 135 Cb 0.07 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 38.68 1j2q h TYR 135 CO -0.01 0.15 -0.51 0.78 -0.00 0.00 0.00 178.16 178.57 1j2q h GLY 136 N 0.27 -1.21 1.32 3.88 0.00 -1.02 0.77 103.07 107.08 1j2q h GLY 136 Ca 0.12 0.61 -0.15 0.00 0.00 0.00 0.00 47.33 47.91 1j2q h GLY 136 CO -0.02 -0.33 -0.40 -0.39 0.00 0.00 0.00 176.54 175.39 1j2q h VAL 137 N -0.92 1.29 -0.79 4.60 -1.51 -1.57 -2.60 116.25 114.76 1j2q h VAL 137 Ca -0.04 -1.57 0.02 0.00 -1.23 0.00 0.00 66.70 63.88 1j2q h VAL 137 Cb 0.83 1.47 -0.05 0.00 -2.13 0.00 0.00 31.29 31.42 1j2q h VAL 137 CO -0.15 0.51 0.51 -0.07 -1.23 0.00 0.00 177.57 177.15 1j2q h LEU 138 N 0.61 0.86 -0.01 4.19 3.38 -1.20 0.11 115.31 123.25 1j2q h LEU 138 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1j2q h LEU 138 Cb 0.95 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1j2q h LEU 138 CO 0.09 0.60 0.00 1.21 0.09 0.00 0.00 178.44 180.43 1j2q n GLU 139 N -4.58 0.05 -0.09 1.13 2.13 0.25 -2.33 120.64 117.21 1j2q n GLU 139 Ca 0.09 0.06 -0.17 0.00 0.66 0.00 0.00 57.16 57.80 1j2q n GLU 139 Cb 0.06 -1.57 -0.11 0.00 0.27 0.00 0.00 31.44 30.10 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 0.13 4.31 -0.00 -0.71 -3.41 116.42 116.75 1j2q h ASP 140 Ca 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 57.03 56.42 1j2q h ASP 140 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.87 1j2q h ASP 140 CO 0.00 1.21 -0.46 0.54 -0.00 0.00 0.00 179.24 180.53 1j2q n ARG 141 N -4.53 0.80 -2.78 0.28 1.74 -0.14 -4.99 116.66 107.05 1j2q n ARG 141 Ca -0.21 -0.59 -0.36 0.00 -0.77 0.00 0.00 57.85 55.93 1j2q n ARG 141 Cb 0.54 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.60 3.56 -0.08 -1.55 5.36 -0.98 -5.06 117.98 116.62 1j2q s PHE 142 Ca 0.19 1.73 -0.07 0.00 -0.96 0.00 0.00 56.93 57.81 1j2q s PHE 142 Cb 0.18 -2.91 0.02 0.00 -0.34 0.00 0.00 43.02 39.97 1j2q s PHE 142 CO 0.60 0.07 0.21 0.95 -1.46 0.00 0.00 175.22 175.60 1j2q s THR 143 N -1.78 -0.01 0.56 0.12 -4.23 -1.26 -5.01 115.64 104.03 1j2q s THR 143 Ca 0.54 0.02 0.28 0.00 -1.18 0.00 0.00 61.69 61.36 1j2q s THR 143 Cb -0.16 -0.30 0.41 0.00 1.34 0.00 0.00 72.50 73.79 1j2q s THR 143 CO 0.21 0.01 1.94 1.55 -0.54 0.00 0.00 174.62 177.78 1j2q h PRO 144 N 6.04 0.00 0.00 3.99 0.13 -1.97 0.72 132.00 140.91 1j2q h PRO 144 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1j2q h PRO 144 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1j2q h PRO 144 CO 0.38 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.54 1j2q n GLU 145 N -4.08 0.32 -1.61 0.86 4.71 -1.26 -3.80 120.64 115.77 1j2q n GLU 145 Ca 0.11 0.04 -0.42 0.00 -0.01 0.00 0.00 57.16 56.88 1j2q n GLU 145 Cb 0.71 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.65 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 -1.32 2.34 -3.98 -3.67 3.06 0.24 -4.65 119.36 111.39 1j2q n ILE 146 Ca 0.12 -0.50 -0.28 0.00 -2.50 0.00 0.00 62.75 59.58 1j2q n ILE 146 Cb 0.23 -1.16 -0.04 0.00 0.54 0.00 0.00 39.64 39.20 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 -0.68 1.92 0.40 4.50 0.00 -1.26 -2.34 107.32 109.86 1j2q s GLY 147 Ca 0.62 -1.00 0.20 0.00 0.00 0.00 0.00 44.72 44.54 1j2q s GLY 147 CO 0.58 -0.99 1.75 -0.39 0.00 0.00 0.00 173.10 174.05 1j2q h VAL 148 N 2.00 0.47 -0.52 1.40 -1.51 -1.91 0.49 116.25 116.66 1j2q h VAL 148 Ca -0.47 -0.12 -0.07 0.00 -1.23 0.00 0.00 66.70 64.81 1j2q h VAL 148 Cb 1.18 0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.41 1j2q h VAL 148 CO 0.70 0.06 0.02 0.44 -1.23 0.00 0.00 177.57 177.56 1j2q h ASP 149 N 0.35 0.83 1.12 4.19 3.45 -1.96 -1.22 116.42 123.17 1j2q h ASP 149 Ca 0.62 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.88 1j2q h ASP 149 Cb 1.65 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 40.20 1j2q h ASP 149 CO -0.31 0.88 -0.83 1.05 -1.57 0.00 0.00 179.24 178.46 1j2q h GLU 150 N 0.81 0.00 -0.43 3.56 4.11 -1.68 -3.30 114.58 117.66 1j2q h GLU 150 Ca 0.16 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.49 1j2q h GLU 150 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1j2q h GLU 150 CO 0.02 0.00 -0.13 0.00 0.07 0.00 0.00 179.01 178.97 1j2q h ALA 151 N 2.06 0.97 0.00 1.06 0.00 -0.43 0.22 119.26 123.14 1j2q h ALA 151 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1j2q h ALA 151 Cb 0.97 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1j2q h ALA 151 CO 0.00 0.61 -0.41 -0.39 0.00 0.00 0.00 179.25 179.05 1j2q h VAL 152 N 0.70 1.29 -0.07 0.00 -1.51 -1.31 0.10 116.25 115.45 1j2q h VAL 152 Ca 0.12 -1.42 -0.02 0.00 -1.23 0.00 0.00 66.70 64.15 1j2q h VAL 152 Cb 0.61 1.77 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1j2q h VAL 152 CO 0.04 0.40 -0.05 -0.08 -1.23 0.00 0.00 177.57 176.66 1j2q h GLU 153 N 0.00 0.15 -0.62 5.19 4.81 -1.50 -1.79 114.58 120.82 1j2q h GLU 153 Ca -0.00 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1j2q h GLU 153 Cb 0.73 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.03 1j2q h GLU 153 CO 0.05 0.55 0.21 1.25 -0.73 0.00 0.00 179.01 180.34 1j2q h LEU 154 N -0.25 0.17 0.10 1.64 5.85 -0.50 0.15 115.31 122.47 1j2q h LEU 154 Ca 0.01 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1j2q h LEU 154 Cb 0.51 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1j2q h LEU 154 CO 0.01 0.10 -0.07 0.00 -0.34 0.00 0.00 178.44 178.14 1j2q h ALA 155 N 1.45 -0.15 -0.93 1.25 0.00 -0.72 0.61 119.26 120.77 1j2q h ALA 155 Ca 0.32 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1j2q h ALA 155 Cb 0.43 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1j2q h ALA 155 CO -0.34 -0.59 0.61 0.28 0.00 0.00 0.00 179.25 179.20 1j2q h VAL 156 N -0.17 1.14 0.15 0.00 2.07 -0.58 -1.27 116.25 117.59 1j2q h VAL 156 Ca -0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1j2q h VAL 156 Cb 0.15 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1j2q h VAL 156 CO -0.00 0.21 -0.15 -0.09 0.02 0.00 0.00 177.57 177.56 1j2q h ARG 157 N 1.14 -0.32 0.29 1.57 2.43 -0.02 -0.28 114.38 119.20 1j2q h ARG 157 Ca 0.38 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.55 1j2q h ARG 157 Cb 0.06 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1j2q h ARG 157 CO -0.12 -0.21 -0.14 0.00 -1.51 0.00 0.00 179.97 177.99 1j2q h ALA 158 N 0.49 -0.39 0.00 2.80 0.00 -0.40 -2.22 119.26 119.54 1j2q h ALA 158 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1j2q h ALA 158 Cb 0.32 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1j2q h ALA 158 CO -0.04 -0.69 -0.06 0.82 0.00 0.00 0.00 179.25 179.27 1j2q h ILE 159 N -0.44 0.42 -0.22 0.00 2.04 -1.21 -1.35 117.51 116.75 1j2q h ILE 159 Ca -0.04 -0.32 -0.21 0.00 1.00 0.00 0.00 64.86 65.30 1j2q h ILE 159 Cb 0.34 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1j2q h ILE 159 CO 0.06 0.06 -0.67 0.22 0.00 0.00 0.00 178.15 177.83 1j2q h TYR 160 N 0.00 1.08 -0.11 1.37 3.20 -0.67 -2.14 116.97 119.71 1j2q h TYR 160 Ca -0.00 -0.43 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 1j2q h TYR 160 Cb 0.22 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1j2q h TYR 160 CO 0.00 1.26 0.02 0.77 -1.64 0.00 0.00 178.16 178.57 1j2q h SER 161 N 0.60 0.17 -0.99 -2.11 0.02 -0.73 -2.99 113.55 107.52 1j2q h SER 161 Ca -0.02 -0.25 0.12 0.00 -0.84 0.00 0.00 61.79 60.80 1j2q h SER 161 Cb 1.29 -0.04 -0.09 0.00 0.14 0.00 0.00 62.40 63.70 1j2q h SER 161 CO 0.14 0.37 0.62 0.00 -1.14 0.00 0.00 176.83 176.82 1j2q h ALA 162 N 0.80 1.49 0.00 3.77 0.00 -1.25 0.17 119.26 124.24 1j2q h ALA 162 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j2q h ALA 162 Cb 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j2q h ALA 162 CO 0.00 0.20 0.00 0.52 0.00 0.00 0.00 179.25 179.97 1j2q h MET 163 N 0.97 0.00 0.00 0.00 2.07 -1.23 -0.49 114.93 116.24 1j2q h MET 163 Ca 0.49 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.12 1j2q h MET 163 Cb 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 1j2q h MET 163 CO -0.27 0.00 0.00 0.87 1.07 0.00 0.00 176.91 178.58 1j2q h LYS 164 N 0.00 0.00 0.00 1.72 1.57 -0.63 -3.35 116.57 115.87 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 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 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 0.77 -3.98 3.15 5.12 -0.77 -4.96 116.66 113.29 1j2q n ARG 165 Ca 0.05 -0.18 -0.32 0.00 -1.93 0.00 0.00 57.85 55.46 1j2q n ARG 165 Cb 0.47 -0.61 -0.14 0.00 -1.16 0.00 0.00 32.46 31.02 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 -0.16 4.79 0.32 0.55 3.68 -0.27 -4.96 116.67 120.62 1j2q s ASP 166 Ca 0.00 -1.92 0.23 0.00 2.13 0.00 0.00 52.55 52.99 1j2q s ASP 166 Cb 0.00 -1.65 1.16 0.00 -1.45 0.00 0.00 42.92 40.98 1j2q s ASP 166 CO 0.00 -0.36 1.70 -1.54 0.13 0.00 0.00 175.17 175.10 1j2q n SER 167 N 4.37 0.62 -0.07 -0.34 3.41 -1.26 -1.09 113.62 119.25 1j2q n SER 167 Ca -0.02 0.75 0.14 0.00 -0.26 0.00 0.00 58.87 59.48 1j2q n SER 167 Cb 0.42 -0.84 0.57 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.79 2.77 -2.33 7.33 0.00 -1.26 -4.85 120.51 120.38 1j2q n ALA 168 Ca -0.01 -0.24 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 1j2q n ALA 168 Cb 0.09 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.67 4.78 0.00 0.00 0.01 -0.25 -0.27 113.70 115.29 1j2q s SER 169 Ca 0.23 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1j2q s SER 169 Cb 0.19 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1j2q s SER 169 CO 0.52 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1j2q n GLY 170 N -1.40 0.39 3.59 3.44 0.00 -1.26 -4.88 105.19 105.07 1j2q n GLY 170 Ca 0.01 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 0.35 0.00 0.00 1.61 10.43 -1.26 -2.33 116.55 125.34 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 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 42.93 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 -1.98 -1.67 3.36 0.44 0.00 -1.26 -4.84 105.19 99.24 1j2q n GLY 172 Ca 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.81 -0.02 -0.00 -0.61 2.07 -1.26 -2.58 121.20 116.99 1j2q s ILE 173 Ca 0.00 0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.25 1j2q s ILE 173 Cb 0.00 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.86 1j2q s ILE 173 CO 0.00 0.02 0.23 -1.81 -1.91 0.00 0.00 174.94 171.47 1j2q s ASP 174 N 1.21 6.43 0.05 4.50 -0.00 0.41 -4.92 116.67 124.35 1j2q s ASP 174 Ca -0.08 0.46 0.02 0.00 -0.00 0.00 0.00 52.55 52.95 1j2q s ASP 174 Cb -0.07 -2.05 -0.03 0.00 -0.00 0.00 0.00 42.92 40.78 1j2q s ASP 174 CO -0.11 0.26 -0.06 -0.69 -0.00 0.00 0.00 175.17 174.56 1j2q s VAL 175 N -1.31 0.48 -0.06 -1.27 1.01 -1.26 -1.73 120.40 116.26 1j2q s VAL 175 Ca 0.27 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1j2q s VAL 175 Cb -0.13 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.46 1j2q s VAL 175 CO 0.17 -0.54 0.14 -0.69 0.00 0.00 0.00 175.10 174.18 1j2q s VAL 176 N -2.02 -0.04 -0.12 2.92 1.01 0.51 -3.21 120.40 119.45 1j2q s VAL 176 Ca -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1j2q s VAL 176 Cb -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1j2q s VAL 176 CO -0.02 0.06 -0.06 -0.75 0.00 0.00 0.00 175.10 174.34 1j2q s LYS 177 N 0.95 3.29 -0.40 2.72 2.20 0.32 -1.73 119.74 127.10 1j2q s LYS 177 Ca -0.07 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 1j2q s LYS 177 Cb -0.09 -2.77 0.12 0.00 -1.51 0.00 0.00 37.83 33.58 1j2q s LYS 177 CO -0.05 0.41 0.17 0.42 -0.36 0.00 0.00 175.35 175.94 1j2q s ILE 178 N -0.11 1.67 -0.21 5.43 1.01 0.53 -0.33 121.20 129.18 1j2q s ILE 178 Ca 0.02 -2.35 -0.21 0.00 0.00 0.00 0.00 60.65 58.11 1j2q s ILE 178 Cb -0.13 -2.20 -0.19 0.00 0.01 0.00 0.00 42.46 39.95 1j2q s ILE 178 CO 0.03 -0.76 0.17 1.07 0.00 0.00 0.00 174.94 175.45 1j2q n THR 179 N 3.95 1.54 0.00 2.92 5.66 -0.42 -1.26 114.28 126.67 1j2q n THR 179 Ca 0.04 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1j2q n THR 179 Cb 0.38 -2.03 0.00 0.00 -1.55 0.00 0.00 70.33 67.13 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 -4.41 0.00 0.00 1.09 2.13 -1.26 -4.60 120.64 113.59 1j2q n GLU 180 Ca -0.34 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.63 1j2q n GLU 180 Cb 0.70 0.00 0.74 0.00 0.27 0.00 0.00 31.44 33.15 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 -3.61 4.31 9.92 -1.26 -4.90 116.55 121.01 1j2q n ASP 181 Ca 0.00 -0.08 -0.05 0.00 -0.53 0.00 0.00 54.79 54.13 1j2q n ASP 181 Cb 0.00 -0.31 -0.02 0.00 -0.64 0.00 0.00 41.12 40.16 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 -2.61 0.85 -0.39 -1.24 2.12 -1.26 -5.08 118.70 111.09 1j2q s GLU 182 Ca 0.27 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.21 1j2q s GLU 182 Cb 0.20 0.34 0.13 0.00 0.26 0.00 0.00 34.13 35.06 1j2q s GLU 182 CO 0.47 -0.38 0.21 0.12 -0.54 0.00 0.00 175.26 175.13 1j2q s PHE 183 N -3.02 1.45 -0.07 5.30 5.36 -1.26 -1.30 117.98 124.44 1j2q s PHE 183 Ca 0.09 -2.00 -0.04 0.00 -0.96 0.00 0.00 56.93 54.02 1j2q s PHE 183 Cb -0.00 -1.49 -0.04 0.00 -0.34 0.00 0.00 43.02 41.14 1j2q s PHE 183 CO -0.04 -0.81 0.10 -0.47 -1.46 0.00 0.00 175.22 172.54 1j2q s TYR 184 N 0.83 3.42 -0.26 10.12 6.04 0.55 -4.95 117.35 133.10 1j2q s TYR 184 Ca 0.16 0.35 0.02 0.00 0.04 0.00 0.00 57.07 57.64 1j2q s TYR 184 Cb -0.23 -1.84 0.07 0.00 -1.04 0.00 0.00 41.96 38.92 1j2q s TYR 184 CO -0.04 0.62 -0.05 -1.14 -1.54 0.00 0.00 175.55 173.40 1j2q s GLN 185 N -1.30 1.75 0.65 4.97 0.74 -1.26 -0.52 119.66 124.70 1j2q s GLN 185 Ca 0.18 -1.23 0.17 0.00 0.05 0.00 0.00 55.36 54.53 1j2q s GLN 185 Cb -0.12 -2.74 0.88 0.00 1.10 0.00 0.00 33.01 32.13 1j2q s GLN 185 CO 0.08 -0.66 1.48 1.88 -0.55 0.00 0.00 175.29 177.53 1j2q h TYR 186 N 7.86 0.00 -2.34 1.67 -1.99 -1.97 -3.49 116.97 116.71 1j2q h TYR 186 Ca -0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1j2q h TYR 186 Cb 1.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.78 1j2q h TYR 186 CO 0.53 0.00 -0.58 0.43 -0.00 0.00 0.00 178.16 178.54 1j2q n SER 187 N -2.80 -5.66 -0.63 3.88 7.64 -1.26 -3.67 113.62 111.12 1j2q n SER 187 Ca 0.01 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1j2q n SER 187 Cb 0.74 -2.71 0.00 0.00 -1.01 0.00 0.00 64.21 61.23 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 -1.29 0.00 0.00 1.43 -0.04 -1.26 -2.27 135.00 131.57 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 0.08 -0.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 0.17 0.00 -0.05 0.54 1.02 -1.24 0.09 120.64 121.17 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 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 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 1.37 -0.30 2.62 2.07 -1.64 -2.08 116.25 118.29 1j2q h VAL 189 Ca 0.00 -1.49 0.09 0.00 0.82 0.00 0.00 66.70 66.12 1j2q h VAL 189 Cb 0.00 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1j2q h VAL 189 CO 0.00 0.44 0.26 -0.08 0.02 0.00 0.00 177.57 178.21 1j2q h GLU 190 N -0.02 0.00 0.00 1.57 4.57 -0.61 0.18 114.58 120.27 1j2q h GLU 190 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1j2q h GLU 190 Cb 0.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1j2q h GLU 190 CO 0.05 0.00 -0.78 0.37 -1.18 0.00 0.00 179.01 177.48 1j2q h GLN 191 N 0.00 0.00 0.10 1.92 4.15 -1.74 -3.02 115.11 116.52 1j2q h GLN 191 Ca 0.14 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.27 1j2q h GLN 191 Cb 0.67 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1j2q h GLN 191 CO -0.00 0.00 -1.47 0.82 -1.93 0.00 0.00 178.83 176.25 1j2q h ILE 192 N 0.00 1.21 -0.00 2.39 2.04 0.02 -3.24 117.51 119.92 1j2q h ILE 192 Ca 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.99 1j2q h ILE 192 Cb 0.98 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1j2q h ILE 192 CO 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 178.15 178.79 1j2q n LEU 193 N -3.42 0.64 0.20 1.44 -0.00 -0.40 -3.38 117.00 112.08 1j2q n LEU 193 Ca -0.14 -0.06 0.05 0.00 -0.00 0.00 0.00 56.01 55.86 1j2q n LEU 193 Cb 1.03 -0.18 0.42 0.00 -0.00 0.00 0.00 43.42 44.69 1j2q n LEU 193 CO 0.50 0.12 0.75 0.00 -0.00 0.00 0.00 177.39 178.76 1j2q h ALA 194 N 3.58 1.25 0.00 1.47 0.00 -1.36 -1.44 119.26 122.75 1j2q h ALA 194 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1j2q h ALA 194 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1j2q h ALA 194 CO 0.00 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.29 1j2q n LYS 195 N -3.85 0.85 0.00 0.00 5.02 -1.22 -4.18 118.16 114.80 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 0.41 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 -0.41 0.00 -0.67 2.13 0.99 -0.55 -5.07 117.46 113.88 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 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 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 -1.19 0.00 0.00 -1.08 3.00 -1.17 -5.17 116.66 111.06 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