#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 -0.05 0.01 12.58 -1.32 -1.25 -0.09 115.64 125.51 1j2q s THR 2 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 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 -0.01 0.42 -2.21 0.00 0.00 174.62 172.82 1j2q s THR 3 N 1.69 0.06 0.22 5.08 -4.23 0.17 -2.67 115.64 115.96 1j2q s THR 3 Ca -0.10 -0.37 0.07 0.00 -1.18 0.00 0.00 61.69 60.12 1j2q s THR 3 Cb -0.05 -0.12 -0.05 0.00 1.34 0.00 0.00 72.50 73.62 1j2q s THR 3 CO -0.20 -0.19 -0.11 0.68 -0.54 0.00 0.00 174.62 174.26 1j2q s VAL 4 N -0.58 1.65 -0.20 2.29 -7.23 0.36 0.50 120.40 117.20 1j2q s VAL 4 Ca -0.06 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 57.82 1j2q s VAL 4 Cb -0.04 -2.16 0.06 0.00 0.56 0.00 0.00 36.38 34.81 1j2q s VAL 4 CO -0.00 -0.51 0.49 -0.83 -0.31 0.00 0.00 175.10 173.93 1j2q s GLY 5 N -3.34 -0.40 -0.01 2.32 0.00 0.23 -1.47 107.32 104.64 1j2q s GLY 5 Ca 0.24 1.71 0.01 0.00 0.00 0.00 0.00 44.72 46.68 1j2q s GLY 5 CO 0.08 1.77 -0.02 0.48 0.00 0.00 0.00 173.10 175.41 1j2q s LEU 6 N 1.28 1.70 -0.42 0.66 2.34 -0.07 -1.59 118.68 122.60 1j2q s LEU 6 Ca -0.08 -0.05 -0.19 0.00 0.06 0.00 0.00 54.13 53.87 1j2q s LEU 6 Cb -0.07 -0.19 0.02 0.00 -0.56 0.00 0.00 46.19 45.39 1j2q s LEU 6 CO -0.12 -0.01 0.54 0.68 -1.06 0.00 0.00 176.35 176.38 1j2q s VAL 7 N 0.32 4.96 0.70 1.48 -7.23 0.11 -1.86 120.40 118.88 1j2q s VAL 7 Ca -0.03 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1j2q s VAL 7 Cb -0.06 -4.10 0.12 0.00 0.56 0.00 0.00 36.38 32.90 1j2q s VAL 7 CO -0.01 -0.46 0.97 0.00 -0.31 0.00 0.00 175.10 175.29 1j2q h LYS 9 N -0.44 0.00 -0.28 0.00 2.10 -1.56 -3.24 116.57 113.15 1j2q h LYS 9 Ca -0.36 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.11 1j2q h LYS 9 Cb 1.27 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.47 1j2q h LYS 9 CO 0.40 0.40 -0.46 -0.40 -2.00 0.00 0.00 179.45 177.40 1j2q n ASP 10 N -3.52 2.79 0.00 7.07 5.75 -1.26 -5.08 116.55 122.30 1j2q n ASP 10 Ca -0.00 -3.85 0.00 0.00 -0.01 0.00 0.00 54.79 50.93 1j2q n ASP 10 Cb 0.54 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.02 0.77 2.96 6.12 0.00 -1.23 -4.65 105.19 108.15 1j2q n GLY 11 Ca 0.29 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.17 0.36 -0.03 1.61 1.01 -0.28 -1.06 120.40 118.85 1j2q s VAL 12 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1j2q s VAL 12 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1j2q s VAL 12 CO 0.00 0.03 -0.15 -0.69 0.00 0.00 0.00 175.10 174.29 1j2q s VAL 13 N -0.27 1.25 -0.03 2.92 1.01 -0.78 0.14 120.40 124.65 1j2q s VAL 13 Ca -0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1j2q s VAL 13 Cb -0.03 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1j2q s VAL 13 CO -0.00 0.36 0.07 -0.04 0.00 0.00 0.00 175.10 175.49 1j2q s MET 14 N -0.09 0.06 0.05 2.72 -1.94 -0.73 -0.89 119.30 118.48 1j2q s MET 14 Ca 0.00 0.13 -0.10 0.00 -1.71 0.00 0.00 55.69 54.01 1j2q s MET 14 Cb -0.09 -0.02 0.01 0.00 2.01 0.00 0.00 34.83 36.74 1j2q s MET 14 CO 0.01 -0.04 0.21 0.00 -0.01 0.00 0.00 175.02 175.19 1j2q s ALA 15 N 0.27 -0.40 0.21 3.03 0.00 -0.54 -0.47 121.76 123.86 1j2q s ALA 15 Ca -0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 1j2q s ALA 15 Cb -0.03 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1j2q s ALA 15 CO -0.01 -0.40 0.36 0.95 0.00 0.00 0.00 175.76 176.67 1j2q s THR 16 N -2.79 0.03 0.04 0.00 -4.23 -0.59 -0.48 115.64 107.61 1j2q s THR 16 Ca -0.03 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1j2q s THR 16 Cb -0.00 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.77 1j2q s THR 16 CO -0.05 -0.11 0.05 -1.84 -0.54 0.00 0.00 174.62 172.13 1j2q n GLU 17 N -0.30 1.05 -0.15 3.99 -0.00 -1.09 -0.77 120.64 123.36 1j2q n GLU 17 Ca -0.04 -0.22 0.06 0.00 -0.00 0.00 0.00 57.16 56.96 1j2q n GLU 17 Cb 0.63 -0.01 0.13 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 -1.01 2.45 -3.31 3.44 4.76 -1.03 -4.73 118.16 118.72 1j2q n LYS 18 Ca 0.01 -2.22 -0.38 0.00 -2.87 0.00 0.00 58.31 52.85 1j2q n LYS 18 Cb 0.04 -1.39 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 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 -1.96 4.11 -0.08 1.97 3.52 -1.02 -0.79 118.95 124.71 1j2q s ARG 19 Ca 0.23 0.64 0.01 0.00 -0.13 0.00 0.00 55.73 56.48 1j2q s ARG 19 Cb 0.18 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.45 1j2q s ARG 19 CO 0.06 0.60 -0.07 0.00 -0.81 0.00 0.00 175.30 175.07 1j2q s ALA 20 N -1.21 1.07 0.23 6.12 0.00 -0.47 -4.50 121.76 123.00 1j2q s ALA 20 Ca 0.31 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.01 1j2q s ALA 20 Cb -0.18 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1j2q s ALA 20 CO 0.19 -0.18 -0.11 0.95 0.00 0.00 0.00 175.76 176.61 1j2q s THR 21 N 1.26 1.70 -0.37 0.00 -4.23 -1.26 -0.47 115.64 112.27 1j2q s THR 21 Ca -0.04 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.30 1j2q s THR 21 Cb -0.14 -2.19 0.15 0.00 1.34 0.00 0.00 72.50 71.66 1j2q s THR 21 CO -0.02 -0.49 0.27 -0.32 -0.54 0.00 0.00 174.62 173.52 1j2q s MET 22 N -3.68 0.64 5.37 3.99 1.75 -0.61 -4.88 119.30 121.89 1j2q s MET 22 Ca 0.25 -1.42 0.00 0.00 -1.25 0.00 0.00 55.69 53.27 1j2q s MET 22 Cb 0.01 -1.21 0.00 0.00 2.84 0.00 0.00 34.83 36.47 1j2q s MET 22 CO 0.09 -1.25 0.00 0.41 -0.65 0.00 0.00 175.02 173.62 1j2q n GLY 23 N 3.80 1.06 0.59 2.11 0.00 -1.26 -2.75 105.19 108.74 1j2q n GLY 23 Ca 0.16 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 6.15 2.21 -4.66 1.61 5.03 -1.26 -4.90 115.26 119.45 1j2q n ASN 24 Ca 0.00 -1.61 -0.43 0.00 0.87 0.00 0.00 54.58 53.42 1j2q n ASN 24 Cb 0.00 0.37 -0.02 0.00 -1.02 0.00 0.00 39.78 39.11 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 -2.31 2.70 -0.63 3.10 5.36 -1.11 -4.96 117.98 120.13 1j2q s PHE 25 Ca 0.20 0.88 -0.25 0.00 -0.96 0.00 0.00 56.93 56.80 1j2q s PHE 25 Cb 0.18 -3.61 0.04 0.00 -0.34 0.00 0.00 43.02 39.30 1j2q s PHE 25 CO 0.50 -1.99 1.09 0.42 -1.46 0.00 0.00 175.22 173.78 1j2q s ILE 26 N 3.71 4.11 0.12 3.12 1.01 -1.26 -1.57 121.20 130.43 1j2q s ILE 26 Ca 0.58 0.32 0.03 0.00 0.00 0.00 0.00 60.65 61.58 1j2q s ILE 26 Cb -0.23 -4.72 -0.22 0.00 0.01 0.00 0.00 42.46 37.31 1j2q s ILE 26 CO 0.18 -1.44 1.26 0.00 0.00 0.00 0.00 174.94 174.94 1j2q h ALA 27 N 9.61 0.32 -2.91 9.38 0.00 -1.11 -3.47 119.26 131.08 1j2q h ALA 27 Ca -0.27 -0.87 -0.14 0.00 0.00 0.00 0.00 54.91 53.63 1j2q h ALA 27 Cb 1.06 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.50 1j2q h ALA 27 CO 1.18 1.12 -0.33 0.45 0.00 0.00 0.00 179.25 181.67 1j2q s SER 28 N -6.86 -0.36 0.00 0.00 0.15 -0.75 -4.97 113.70 100.91 1j2q s SER 28 Ca -0.01 0.68 0.21 0.00 0.70 0.00 0.00 55.95 57.53 1j2q s SER 28 Cb 0.09 0.67 0.09 0.00 -1.71 0.00 0.00 66.02 65.17 1j2q s SER 28 CO 0.84 -0.13 1.11 0.29 1.20 0.00 0.00 173.24 176.55 1j2q n LYS 29 N 3.09 1.73 -2.62 5.44 4.76 -1.26 -1.37 118.16 127.94 1j2q n LYS 29 Ca -0.15 -1.42 0.00 0.00 -2.87 0.00 0.00 58.31 53.88 1j2q n LYS 29 Cb 0.57 -1.41 0.05 0.00 -1.84 0.00 0.00 35.03 32.40 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 0.67 2.58 -1.77 7.82 0.00 -0.99 -4.60 120.51 124.23 1j2q n ALA 30 Ca 0.11 -2.56 -0.40 0.00 0.00 0.00 0.00 53.44 50.58 1j2q n ALA 30 Cb 0.49 -0.85 -0.01 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 -2.99 3.41 -0.12 0.00 0.00 0.03 -4.98 121.76 117.12 1j2q s ALA 31 Ca 0.27 1.31 -0.23 0.00 0.00 0.00 0.00 51.96 53.31 1j2q s ALA 31 Cb 0.33 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1j2q s ALA 31 CO -0.06 -0.80 0.70 0.21 0.00 0.00 0.00 175.76 175.81 1j2q s LYS 32 N -2.04 4.35 -0.01 0.00 2.20 -1.26 -4.56 119.74 118.42 1j2q s LYS 32 Ca 0.53 0.84 0.02 0.00 -0.36 0.00 0.00 55.97 56.99 1j2q s LYS 32 Cb -0.40 -3.50 0.03 0.00 -1.51 0.00 0.00 37.83 32.44 1j2q s LYS 32 CO 0.53 -0.08 0.80 1.63 -0.36 0.00 0.00 175.35 177.87 1j2q n LYS 33 N 4.37 1.15 -4.12 4.03 5.02 -1.26 -4.98 118.16 122.37 1j2q n LYS 33 Ca -0.00 -1.12 -0.24 0.00 -2.02 0.00 0.00 58.31 54.94 1j2q n LYS 33 Cb 0.50 -0.77 -0.17 0.00 -0.02 0.00 0.00 35.03 34.57 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 -0.63 0.79 0.13 -0.18 -1.16 -1.26 -1.44 121.20 117.45 1j2q s ILE 34 Ca 0.03 -0.21 0.09 0.00 -0.51 0.00 0.00 60.65 60.06 1j2q s ILE 34 Cb 0.03 -0.81 -0.04 0.00 0.61 0.00 0.00 42.46 42.25 1j2q s ILE 34 CO 0.00 0.30 -0.23 -0.31 -2.81 0.00 0.00 174.94 171.90 1j2q s TYR 35 N 1.27 1.99 -0.24 3.50 2.02 0.15 -4.95 117.35 121.09 1j2q s TYR 35 Ca -0.05 -0.41 -0.09 0.00 -0.37 0.00 0.00 57.07 56.15 1j2q s TYR 35 Cb -0.14 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 1j2q s TYR 35 CO -0.02 0.29 0.12 -1.14 -1.57 0.00 0.00 175.55 173.23 1j2q s GLN 36 N -2.14 3.94 -0.23 -0.62 0.74 -1.26 -0.21 119.66 119.87 1j2q s GLN 36 Ca 0.11 -0.34 -0.16 0.00 0.05 0.00 0.00 55.36 55.03 1j2q s GLN 36 Cb -0.09 -3.44 -0.17 0.00 1.10 0.00 0.00 33.01 30.40 1j2q s GLN 36 CO 0.06 0.01 -0.02 -0.89 -0.55 0.00 0.00 175.29 173.90 1j2q n ILE 37 N 4.39 1.55 -4.19 -2.34 2.08 -0.37 -4.96 119.36 115.53 1j2q n ILE 37 Ca -0.15 -0.26 -0.11 0.00 0.56 0.00 0.00 62.75 62.79 1j2q n ILE 37 Cb 0.52 -1.91 -0.03 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 -3.68 0.30 -0.32 -1.39 0.00 -1.16 -4.71 120.51 109.54 1j2q n ALA 38 Ca -0.42 -0.94 -0.04 0.00 0.00 0.00 0.00 53.44 52.05 1j2q n ALA 38 Cb 0.82 0.68 0.08 0.00 0.00 0.00 0.00 19.45 21.03 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 0.84 1.05 -0.77 0.00 3.32 -1.97 -3.15 116.42 115.74 1j2q h ASP 39 Ca -0.13 -0.07 -0.55 0.00 0.02 0.00 0.00 57.03 56.30 1j2q h ASP 39 Cb 0.56 -0.27 -0.43 0.00 0.22 0.00 0.00 39.33 39.42 1j2q h ASP 39 CO 0.20 0.81 -0.82 0.54 -1.72 0.00 0.00 179.24 178.26 1j2q n ARG 40 N -4.41 3.60 -3.78 3.56 5.12 -1.26 -4.65 116.66 114.85 1j2q n ARG 40 Ca 0.09 -4.18 -0.14 0.00 -1.93 0.00 0.00 57.85 51.70 1j2q n ARG 40 Cb 0.06 -2.28 -0.14 0.00 -1.16 0.00 0.00 32.46 28.94 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 -3.60 0.07 0.31 5.56 1.75 -1.19 0.28 119.30 122.47 1j2q s MET 41 Ca 0.51 0.27 0.04 0.00 -1.25 0.00 0.00 55.69 55.25 1j2q s MET 41 Cb 0.41 -0.14 -0.06 0.00 2.84 0.00 0.00 34.83 37.88 1j2q s MET 41 CO 0.03 -0.13 0.05 0.00 -0.65 0.00 0.00 175.02 174.33 1j2q s ALA 42 N 0.86 2.25 -0.10 4.11 0.00 0.15 -1.24 121.76 127.79 1j2q s ALA 42 Ca -0.07 -2.01 -0.08 0.00 0.00 0.00 0.00 51.96 49.80 1j2q s ALA 42 Cb -0.09 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.74 1j2q s ALA 42 CO -0.04 -0.31 0.26 1.41 0.00 0.00 0.00 175.76 177.08 1j2q s MET 43 N -3.90 0.27 0.04 0.00 1.75 0.70 -1.44 119.30 116.73 1j2q s MET 43 Ca 0.36 0.44 0.05 0.00 -1.25 0.00 0.00 55.69 55.29 1j2q s MET 43 Cb 0.08 0.05 -0.03 0.00 2.84 0.00 0.00 34.83 37.77 1j2q s MET 43 CO 0.15 -0.08 -0.10 0.95 -0.65 0.00 0.00 175.02 175.28 1j2q s THR 44 N 0.57 3.39 -0.13 10.11 -4.23 0.07 0.31 115.64 125.73 1j2q s THR 44 Ca -0.04 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 1j2q s THR 44 Cb -0.05 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.31 1j2q s THR 44 CO -0.03 0.31 -0.17 0.42 -0.54 0.00 0.00 174.62 174.61 1j2q s THR 45 N -1.04 1.65 0.01 3.99 -4.23 -0.52 -2.04 115.64 113.46 1j2q s THR 45 Ca 0.18 -0.72 0.08 0.00 -1.18 0.00 0.00 61.69 60.05 1j2q s THR 45 Cb -0.11 -1.50 -0.02 0.00 1.34 0.00 0.00 72.50 72.20 1j2q s THR 45 CO 0.09 0.47 -0.25 0.00 -0.54 0.00 0.00 174.62 174.39 1j2q s ALA 46 N 1.07 2.08 0.00 3.99 0.00 -0.70 -4.86 121.76 123.34 1j2q s ALA 46 Ca -0.04 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1j2q s ALA 46 Cb -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1j2q s ALA 46 CO -0.04 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1j2q n GLY 47 N 2.21 0.37 3.68 0.00 0.00 -1.26 0.60 105.19 110.80 1j2q n GLY 47 Ca -0.16 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 6.68 0.09 1.61 0.15 0.14 -4.92 113.70 113.45 1j2q s SER 48 Ca 0.00 2.33 -0.35 0.00 0.70 0.00 0.00 55.95 58.63 1j2q s SER 48 Cb 0.00 -2.56 -0.16 0.00 -1.71 0.00 0.00 66.02 61.59 1j2q s SER 48 CO 0.00 -0.86 1.55 0.58 1.20 0.00 0.00 173.24 175.72 1j2q h VAL 49 N 5.02 0.00 -0.93 4.45 2.07 -1.95 0.18 116.25 125.09 1j2q h VAL 49 Ca -0.41 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.22 1j2q h VAL 49 Cb 1.19 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1j2q h VAL 49 CO 0.93 0.00 0.57 1.23 0.02 0.00 0.00 177.57 180.31 1j2q h GLY 50 N -0.91 1.50 0.83 2.17 0.00 -1.98 0.94 103.07 105.61 1j2q h GLY 50 Ca -0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1j2q h GLY 50 CO -0.15 0.15 -0.08 -0.55 0.00 0.00 0.00 176.54 175.91 1j2q h ASP 51 N 0.91 0.46 0.04 0.19 3.45 -1.81 -1.21 116.42 118.45 1j2q h ASP 51 Ca 0.46 -0.39 -0.00 0.00 0.43 0.00 0.00 57.03 57.53 1j2q h ASP 51 Cb 0.44 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1j2q h ASP 51 CO -0.26 0.74 -0.02 0.00 -1.57 0.00 0.00 179.24 178.13 1j2q h ALA 52 N 0.73 -0.06 -0.64 3.45 0.00 -0.13 -0.39 119.26 122.22 1j2q h ALA 52 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1j2q h ALA 52 Cb 0.56 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1j2q h ALA 52 CO 0.03 -0.50 0.34 1.96 0.00 0.00 0.00 179.25 181.08 1j2q h GLN 53 N -0.12 0.61 -0.03 0.00 4.20 -0.84 0.26 115.11 119.19 1j2q h GLN 53 Ca -0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1j2q h GLN 53 Cb 0.11 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1j2q h GLN 53 CO 0.01 0.40 0.01 0.35 -0.67 0.00 0.00 178.83 178.94 1j2q h PHE 54 N 0.63 0.03 -0.84 2.96 3.57 -0.95 -2.45 116.94 119.89 1j2q h PHE 54 Ca 0.29 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 1j2q h PHE 54 Cb 0.21 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1j2q h PHE 54 CO -0.09 0.09 0.41 -0.07 -2.23 0.00 0.00 178.31 176.41 1j2q h LEU 55 N -0.03 1.10 -0.38 0.59 4.07 -0.58 -2.82 115.31 117.27 1j2q h LEU 55 Ca 0.01 -0.13 0.06 0.00 0.08 0.00 0.00 57.88 57.90 1j2q h LEU 55 Cb 0.06 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.47 1j2q h LEU 55 CO -0.00 0.92 0.08 0.00 -1.08 0.00 0.00 178.44 178.36 1j2q h ALA 56 N 1.25 0.40 -0.26 1.53 0.00 -0.27 0.15 119.26 122.06 1j2q h ALA 56 Ca 0.29 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1j2q h ALA 56 Cb 0.11 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1j2q h ALA 56 CO -0.04 -0.33 0.08 0.00 0.00 0.00 0.00 179.25 178.96 1j2q h ARG 57 N 0.20 0.18 -0.30 0.00 3.08 -1.21 -0.68 114.38 115.66 1j2q h ARG 57 Ca 0.18 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.24 1j2q h ARG 57 Cb 0.21 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1j2q h ARG 57 CO -0.23 0.12 0.13 0.82 -1.07 0.00 0.00 179.97 179.73 1j2q h ILE 58 N 0.19 0.96 0.03 2.04 1.08 -1.16 -1.79 117.51 118.87 1j2q h ILE 58 Ca 0.12 -0.09 0.02 0.00 -0.39 0.00 0.00 64.86 64.52 1j2q h ILE 58 Cb 0.10 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 1j2q h ILE 58 CO -0.14 0.05 -0.22 0.40 -0.69 0.00 0.00 178.15 177.56 1j2q h ILE 59 N 0.27 0.50 0.38 -0.67 1.08 -0.22 -1.54 117.51 117.32 1j2q h ILE 59 Ca 0.13 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.59 1j2q h ILE 59 Cb 0.07 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 1j2q h ILE 59 CO -0.11 0.00 -0.46 0.11 -0.69 0.00 0.00 178.15 177.00 1j2q h LYS 60 N -0.36 -0.83 -0.78 2.37 1.57 -0.93 -0.49 116.57 117.11 1j2q h LYS 60 Ca 0.05 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.07 1j2q h LYS 60 Cb 0.42 0.19 -0.14 0.00 0.08 0.00 0.00 32.23 32.78 1j2q h LYS 60 CO -0.17 -0.55 0.03 0.82 -0.57 0.00 0.00 179.45 179.00 1j2q h ILE 61 N -0.86 0.32 -0.08 1.86 5.03 -1.26 0.84 117.51 123.36 1j2q h ILE 61 Ca -0.05 -0.04 -0.11 0.00 -0.12 0.00 0.00 64.86 64.54 1j2q h ILE 61 Cb 0.76 0.20 -0.01 0.00 -3.03 0.00 0.00 36.82 34.74 1j2q h ILE 61 CO -0.10 0.02 -0.47 -0.33 -0.68 0.00 0.00 178.15 176.60 1j2q h GLU 62 N 0.11 0.20 -0.16 2.37 5.08 -0.99 -1.18 114.58 120.00 1j2q h GLU 62 Ca 0.44 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1j2q h GLU 62 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1j2q h GLU 62 CO -0.68 0.63 -0.04 0.00 -1.00 0.00 0.00 179.01 177.92 1j2q h ALA 63 N 1.36 0.23 0.16 3.43 0.00 0.76 -1.78 119.26 123.42 1j2q h ALA 63 Ca 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j2q h ALA 63 Cb 0.89 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1j2q h ALA 63 CO 0.07 -0.01 -0.22 -0.91 0.00 0.00 0.00 179.25 178.18 1j2q h ASN 64 N 0.02 -0.63 -1.04 0.00 2.35 -0.78 -2.25 115.58 113.25 1j2q h ASN 64 Ca 0.04 0.06 0.27 0.00 -0.55 0.00 0.00 56.30 56.12 1j2q h ASN 64 Cb 0.48 0.22 -0.11 0.00 0.05 0.00 0.00 38.32 38.95 1j2q h ASN 64 CO 0.02 -0.27 0.65 0.25 -1.65 0.00 0.00 177.43 176.42 1j2q h LEU 65 N -0.40 0.53 0.26 1.61 5.85 -1.27 0.52 115.31 122.41 1j2q h LEU 65 Ca -0.02 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1j2q h LEU 65 Cb 0.36 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1j2q h LEU 65 CO -0.06 0.06 -0.28 0.22 -0.34 0.00 0.00 178.44 178.05 1j2q h TYR 66 N 0.44 -0.74 0.44 1.25 3.20 -0.76 -0.35 116.97 120.45 1j2q h TYR 66 Ca 0.64 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.49 1j2q h TYR 66 Cb 1.47 0.29 0.00 0.00 1.54 0.00 0.00 36.73 40.04 1j2q h TYR 66 CO -0.00 -0.40 -0.21 1.49 -1.64 0.00 0.00 178.16 177.39 1j2q h GLU 67 N -0.58 -0.57 -0.99 1.82 4.81 -0.45 0.40 114.58 119.02 1j2q h GLU 67 Ca -0.00 0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.47 1j2q h GLU 67 Cb 0.54 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 1j2q h GLU 67 CO -0.07 -0.33 0.59 0.82 -0.73 0.00 0.00 179.01 179.29 1j2q h ILE 68 N -0.69 0.63 0.14 2.32 5.03 -1.02 1.09 117.51 125.01 1j2q h ILE 68 Ca -0.06 -0.23 -0.22 0.00 -0.12 0.00 0.00 64.86 64.23 1j2q h ILE 68 Cb 0.50 -0.10 0.02 0.00 -3.03 0.00 0.00 36.82 34.22 1j2q h ILE 68 CO 0.10 0.12 -0.96 0.03 -0.68 0.00 0.00 178.15 176.76 1j2q h ARG 69 N 0.67 0.40 -0.22 2.37 3.08 -0.85 -3.35 114.38 116.49 1j2q h ARG 69 Ca 0.60 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1j2q h ARG 69 Cb 1.02 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1j2q h ARG 69 CO -0.42 1.28 0.00 0.54 -1.07 0.00 0.00 179.97 180.29 1j2q n ARG 70 N -4.02 2.39 -2.09 0.04 1.74 0.11 -4.94 116.66 109.89 1j2q n ARG 70 Ca -0.14 -2.07 -0.12 0.00 -0.77 0.00 0.00 57.85 54.75 1j2q n ARG 70 Cb 0.87 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 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 1.37 -1.92 -4.14 5.56 1.02 0.37 -4.93 120.64 117.97 1j2q n GLU 71 Ca 0.17 0.63 -0.16 0.00 -0.02 0.00 0.00 57.16 57.78 1j2q n GLU 71 Cb 0.59 -5.10 -0.12 0.00 -0.02 0.00 0.00 31.44 26.79 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 -4.38 0.66 0.28 3.49 0.52 -1.23 -5.04 118.95 113.25 1j2q s ARG 72 Ca 0.00 -0.77 -0.24 0.00 -0.52 0.00 0.00 55.73 54.20 1j2q s ARG 72 Cb 0.00 -0.54 -0.09 0.00 0.52 0.00 0.00 34.95 34.83 1j2q s ARG 72 CO 0.00 0.12 0.86 0.15 0.02 0.00 0.00 175.30 176.45 1j2q s LYS 73 N -1.46 4.47 0.31 3.54 1.02 -1.26 -3.64 119.74 122.72 1j2q s LYS 73 Ca -0.05 1.16 -0.28 0.00 0.02 0.00 0.00 55.97 56.81 1j2q s LYS 73 Cb -0.09 -2.85 -0.09 0.00 -0.52 0.00 0.00 37.83 34.27 1j2q s LYS 73 CO 0.01 0.34 1.05 -1.25 -0.92 0.00 0.00 175.35 174.58 1j2q s PRO 74 N -1.98 4.55 0.64 -1.68 0.04 -1.26 -4.99 135.00 130.31 1j2q s PRO 74 Ca 0.47 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 1j2q s PRO 74 Cb -0.18 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 1j2q s PRO 74 CO 0.23 0.17 1.05 -0.08 0.04 0.00 0.00 177.00 178.41 1j2q s THR 75 N -1.32 4.08 0.36 1.26 -1.32 -1.26 -4.90 115.64 112.54 1j2q s THR 75 Ca 0.48 0.81 0.03 0.00 -1.21 0.00 0.00 61.69 61.80 1j2q s THR 75 Cb -0.28 -3.47 0.25 0.00 -1.51 0.00 0.00 72.50 67.49 1j2q s THR 75 CO 0.35 -0.75 2.00 -0.37 -2.21 0.00 0.00 174.62 173.64 1j2q h VAL 76 N -0.12 1.16 -0.65 5.08 -1.51 -1.95 -1.32 116.25 116.94 1j2q h VAL 76 Ca -0.45 -0.33 0.06 0.00 -1.23 0.00 0.00 66.70 64.74 1j2q h VAL 76 Cb 1.21 0.36 -0.05 0.00 -2.13 0.00 0.00 31.29 30.67 1j2q h VAL 76 CO 0.58 0.16 0.36 -0.09 -1.23 0.00 0.00 177.57 177.35 1j2q h ARG 77 N 0.77 0.65 -0.17 5.19 2.43 -1.96 0.22 114.38 121.51 1j2q h ARG 77 Ca 0.20 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1j2q h ARG 77 Cb -0.04 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1j2q h ARG 77 CO -0.04 0.43 0.09 0.00 -1.51 0.00 0.00 179.97 178.94 1j2q h ALA 78 N 1.34 0.22 -0.59 2.80 0.00 -1.62 0.56 119.26 121.97 1j2q h ALA 78 Ca 0.29 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1j2q h ALA 78 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1j2q h ALA 78 CO -0.18 -0.24 0.06 0.82 0.00 0.00 0.00 179.25 179.71 1j2q h ILE 79 N 0.16 1.25 -0.65 0.00 1.08 -0.99 0.69 117.51 119.05 1j2q h ILE 79 Ca 0.06 -1.03 -0.08 0.00 -0.39 0.00 0.00 64.86 63.42 1j2q h ILE 79 Cb 0.09 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1j2q h ILE 79 CO -0.01 0.38 0.10 0.00 -0.69 0.00 0.00 178.15 177.93 1j2q h ALA 80 N 1.14 0.86 -0.29 1.87 0.00 -0.31 0.30 119.26 122.83 1j2q h ALA 80 Ca 0.18 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1j2q h ALA 80 Cb 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1j2q h ALA 80 CO 0.02 0.63 -0.14 1.15 0.00 0.00 0.00 179.25 180.90 1j2q h THR 81 N 0.99 1.30 0.24 0.00 2.02 -0.65 -0.14 112.91 116.66 1j2q h THR 81 Ca 0.20 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.14 1j2q h THR 81 Cb 0.44 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1j2q h THR 81 CO 0.01 0.40 -0.31 0.25 0.37 0.00 0.00 175.52 176.24 1j2q h LEU 82 N 0.35 -0.85 -1.17 2.58 5.85 -0.65 -1.84 115.31 119.59 1j2q h LEU 82 Ca 0.06 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1j2q h LEU 82 Cb 0.66 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1j2q h LEU 82 CO 0.04 -0.42 0.32 0.74 -0.34 0.00 0.00 178.44 178.79 1j2q h THR 83 N -0.60 1.20 0.40 1.05 2.02 -0.90 -2.26 112.91 113.83 1j2q h THR 83 Ca 0.00 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1j2q h THR 83 Cb 0.58 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1j2q h THR 83 CO -0.10 0.23 -0.26 0.28 0.37 0.00 0.00 175.52 176.04 1j2q h SER 84 N 0.90 -0.66 -0.80 4.18 0.02 -0.73 -0.60 113.55 115.86 1j2q h SER 84 Ca 0.23 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.32 1j2q h SER 84 Cb 0.07 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 1j2q h SER 84 CO -0.03 -0.41 0.44 0.78 -1.14 0.00 0.00 176.83 176.47 1j2q h ASN 85 N -0.64 0.62 -0.12 3.07 -0.26 -1.14 0.21 115.58 117.31 1j2q h ASN 85 Ca -0.04 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1j2q h ASN 85 Cb 0.54 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 1j2q h ASN 85 CO 0.03 0.35 0.04 0.25 -1.06 0.00 0.00 177.43 177.04 1j2q h LEU 86 N 0.73 0.17 -0.14 1.61 5.85 -1.17 -1.04 115.31 121.32 1j2q h LEU 86 Ca 0.39 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1j2q h LEU 86 Cb 0.39 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1j2q h LEU 86 CO -0.26 0.32 0.02 -0.07 -0.34 0.00 0.00 178.44 178.11 1j2q h LEU 87 N 0.01 -0.00 -1.23 2.25 -0.00 -0.31 -2.84 115.31 113.18 1j2q h LEU 87 Ca 0.04 0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.87 1j2q h LEU 87 Cb 0.21 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1j2q h LEU 87 CO -0.00 0.02 -0.26 -1.13 -0.00 0.00 0.00 178.44 177.07 1j2q h ASN 88 N 0.08 0.19 -0.39 -0.43 -0.73 -0.52 -2.26 115.58 111.51 1j2q h ASN 88 Ca 0.06 -0.06 0.05 0.00 1.87 0.00 0.00 56.30 58.22 1j2q h ASN 88 Cb 0.06 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 1j2q h ASN 88 CO -0.09 0.46 0.27 0.77 -0.37 0.00 0.00 177.43 178.47 1j2q h SER 89 N 0.18 0.29 -0.51 1.15 4.64 -0.94 0.73 113.55 119.09 1j2q h SER 89 Ca 0.03 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 1j2q h SER 89 Cb 0.56 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 1j2q h SER 89 CO 0.04 0.19 0.12 -1.22 -0.87 0.00 0.00 176.83 175.09 1j2q n TYR 90 N -4.48 1.74 0.32 4.77 4.01 -0.85 -4.66 117.16 118.01 1j2q n TYR 90 Ca 0.05 -0.78 0.14 0.00 -0.16 0.00 0.00 57.90 57.15 1j2q n TYR 90 Cb 0.22 -0.50 0.76 0.00 -0.31 0.00 0.00 39.34 39.51 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 2.42 0.00 -0.08 -0.72 0.11 -0.83 0.77 114.38 116.04 1j2q h ARG 91 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1j2q h ARG 91 Cb 1.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.88 1j2q h ARG 91 CO 0.48 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.21 1j2q n TYR 92 N -2.79 0.09 -2.71 4.08 4.01 -1.26 -4.17 117.16 114.41 1j2q n TYR 92 Ca -0.02 -0.04 -0.08 0.00 -0.16 0.00 0.00 57.90 57.60 1j2q n TYR 92 Cb 0.37 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.81 -2.60 -1.37 -0.72 3.01 -0.35 -5.15 117.46 111.08 1j2q n PHE 93 Ca 0.17 -1.98 -0.36 0.00 1.01 0.00 0.00 57.45 56.28 1j2q n PHE 93 Cb 0.48 1.61 0.07 0.00 -0.01 0.00 0.00 39.48 41.63 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 -0.10 0.49 -2.62 -1.08 -0.04 0.12 -4.95 135.00 126.82 1j2q n PRO 94 Ca 0.01 0.21 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 1j2q n PRO 94 Cb 0.77 -2.05 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 1j2q n PRO 94 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j2q s TYR 95 N -1.80 3.11 -1.10 0.54 1.51 -1.26 -4.92 117.35 113.43 1j2q s TYR 95 Ca 0.71 1.18 -0.23 0.00 -1.01 0.00 0.00 57.07 57.72 1j2q s TYR 95 Cb -0.36 -3.69 -0.07 0.00 -0.11 0.00 0.00 41.96 37.73 1j2q s TYR 95 CO 0.53 -0.85 1.92 -0.51 -1.11 0.00 0.00 175.55 175.52 1j2q s LEU 96 N 3.69 3.13 -0.04 -1.29 1.02 -1.26 -4.44 118.68 119.49 1j2q s LEU 96 Ca 0.46 -1.40 -0.13 0.00 0.02 0.00 0.00 54.13 53.08 1j2q s LEU 96 Cb -0.13 -2.58 0.02 0.00 0.02 0.00 0.00 46.19 43.53 1j2q s LEU 96 CO 0.16 -2.86 0.30 0.54 0.02 0.00 0.00 176.35 174.50 1j2q s VAL 97 N 10.31 0.04 -0.23 -1.59 0.11 -1.26 0.26 120.40 128.04 1j2q s VAL 97 Ca 0.68 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 59.39 1j2q s VAL 97 Cb -0.02 -0.54 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1j2q s VAL 97 CO 0.08 -0.19 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.43 1j2q s GLN 98 N -0.87 2.63 0.14 1.54 -1.52 0.20 -2.54 119.66 119.24 1j2q s GLN 98 Ca -0.10 -1.09 0.06 0.00 -1.95 0.00 0.00 55.36 52.29 1j2q s GLN 98 Cb -0.05 -2.79 -0.04 0.00 -0.22 0.00 0.00 33.01 29.92 1j2q s GLN 98 CO 0.03 -0.41 0.03 -0.51 -0.25 0.00 0.00 175.29 174.18 1j2q s LEU 99 N 1.21 3.45 -0.18 2.90 1.43 0.19 -1.72 118.68 125.97 1j2q s LEU 99 Ca -0.02 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1j2q s LEU 99 Cb -0.17 -2.13 0.05 0.00 0.03 0.00 0.00 46.19 43.97 1j2q s LEU 99 CO -0.08 0.11 -0.04 -0.22 0.23 0.00 0.00 176.35 176.35 1j2q s LEU 100 N -2.77 1.75 -0.17 1.79 2.96 -0.86 0.12 118.68 121.49 1j2q s LEU 100 Ca 0.28 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1j2q s LEU 100 Cb -0.10 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.69 1j2q s LEU 100 CO 0.19 -0.20 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.28 1j2q s ILE 101 N 1.61 1.53 0.34 6.68 1.01 0.20 -0.75 121.20 131.81 1j2q s ILE 101 Ca -0.01 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1j2q s ILE 101 Cb -0.16 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.80 1j2q s ILE 101 CO -0.07 0.29 0.72 -0.83 0.00 0.00 0.00 174.94 175.05 1j2q s GLY 102 N 1.47 0.31 0.00 6.18 0.00 -0.52 -0.54 107.32 114.22 1j2q s GLY 102 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1j2q s GLY 102 CO -0.09 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.31 1j2q n GLY 103 N -0.50 -0.38 3.30 0.20 0.00 -0.69 0.30 105.19 107.42 1j2q n GLY 103 Ca -0.06 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.69 2.00 0.35 -0.61 1.01 0.14 -2.42 121.20 117.99 1j2q s ILE 104 Ca 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 1j2q s ILE 104 Cb 0.00 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1j2q s ILE 104 CO 0.00 0.57 0.59 1.51 0.00 0.00 0.00 174.94 177.61 1j2q s ASP 105 N -0.59 0.45 0.60 3.58 3.84 0.44 -4.67 116.67 120.32 1j2q s ASP 105 Ca 0.10 -1.28 0.28 0.00 -0.00 0.00 0.00 52.55 51.65 1j2q s ASP 105 Cb -0.10 0.72 1.29 0.00 -1.38 0.00 0.00 42.92 43.46 1j2q s ASP 105 CO -0.01 -1.42 1.68 0.77 -0.00 0.00 0.00 175.17 176.19 1j2q h SER 106 N 2.08 0.00 1.34 2.11 4.64 -1.96 0.43 113.55 122.20 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 0.38 0.00 -0.44 -0.33 -0.87 0.00 0.00 176.83 175.58 1j2q h GLU 106 N 0.00 0.00 0.00 4.77 5.08 -2.01 -3.50 114.58 118.92 1j2q h GLU 106 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1j2q h GLU 106 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1j2q h GLU 106 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1j2q n GLY 107 N 1.22 0.38 3.35 -3.84 0.00 0.15 -5.06 105.19 101.39 1j2q n GLY 107 Ca 0.03 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.41 2.24 0.04 1.61 1.02 -1.26 -0.42 119.74 121.56 1j2q s LYS 108 Ca 0.00 -0.87 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 1j2q s LYS 108 Cb 0.00 -2.13 0.09 0.00 -0.52 0.00 0.00 37.83 35.27 1j2q s LYS 108 CO 0.00 0.57 0.96 -1.54 -0.92 0.00 0.00 175.35 174.42 1j2q s SER 109 N -0.62 -0.26 -0.00 2.83 1.04 -1.01 -5.04 113.70 110.64 1j2q s SER 109 Ca 0.10 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1j2q s SER 109 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1j2q s SER 109 CO -0.00 -0.67 -0.01 -0.63 0.98 0.00 0.00 173.24 172.90 1j2q s ILE 110 N -3.09 0.08 -0.07 -1.02 1.01 -1.22 -1.71 121.20 115.18 1j2q s ILE 110 Ca 0.08 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1j2q s ILE 110 Cb -0.01 -0.08 -0.00 0.00 0.01 0.00 0.00 42.46 42.38 1j2q s ILE 110 CO -0.04 0.03 -0.23 -0.31 0.00 0.00 0.00 174.94 174.38 1j2q s TYR 111 N 0.01 2.37 -0.24 3.97 1.51 0.30 0.27 117.35 125.52 1j2q s TYR 111 Ca 0.00 -0.82 -0.09 0.00 -1.01 0.00 0.00 57.07 55.15 1j2q s TYR 111 Cb -0.01 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1j2q s TYR 111 CO -0.00 -0.30 0.11 0.45 -1.11 0.00 0.00 175.55 174.70 1j2q s SER 112 N 0.10 5.64 -0.05 2.29 0.15 -0.41 -0.63 113.70 120.79 1j2q s SER 112 Ca -0.10 -0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.56 1j2q s SER 112 Cb -0.15 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1j2q s SER 112 CO 0.06 0.03 -0.20 -0.63 1.20 0.00 0.00 173.24 173.70 1j2q s ILE 113 N 1.24 1.64 0.47 6.45 1.01 0.32 -1.00 121.20 131.32 1j2q s ILE 113 Ca 0.06 -0.84 0.08 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 40.96 1j2q s ILE 113 CO 0.05 0.46 0.61 1.51 0.00 0.00 0.00 174.94 177.57 1j2q s ASP 114 N -0.06 5.41 0.42 3.58 3.84 -0.91 0.53 116.67 129.48 1j2q s ASP 114 Ca -0.03 -0.60 0.25 0.00 -0.00 0.00 0.00 52.55 52.16 1j2q s ASP 114 Cb -0.12 -0.34 1.27 0.00 -1.38 0.00 0.00 42.92 42.35 1j2q s ASP 114 CO 0.02 -0.92 1.71 -0.65 -0.00 0.00 0.00 175.17 175.33 1j2q h PRO 115 N 0.55 0.23 -0.35 2.11 0.11 -1.71 0.21 132.00 133.15 1j2q h PRO 115 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 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 0.00 178.00 177.51 1j2q n ILE 116 N -4.63 0.47 -2.10 4.15 -0.00 -1.26 -4.42 119.36 111.57 1j2q n ILE 116 Ca 0.31 -0.51 -0.03 0.00 -0.00 0.00 0.00 62.75 62.51 1j2q n ILE 116 Cb 1.14 0.33 -0.00 0.00 -0.00 0.00 0.00 39.64 41.11 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 1.17 0.29 3.54 7.39 0.00 0.73 -3.51 105.19 114.79 1j2q n GLY 117 Ca 0.15 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.88 1.81 -0.22 -0.02 0.00 -1.25 -4.77 107.32 99.99 1j2q s GLY 118 Ca 0.01 -1.15 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 1j2q s GLY 118 CO 0.01 1.29 0.00 0.00 0.00 0.00 0.00 173.10 174.40 1j2q s ALA 119 N 2.42 2.98 0.00 3.20 0.00 -1.26 -2.15 121.76 126.95 1j2q s ALA 119 Ca 0.18 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1j2q s ALA 119 Cb -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1j2q s ALA 119 CO 0.14 -0.36 0.00 -0.89 0.00 0.00 0.00 175.76 174.66 1j2q n ILE 120 N 4.66 0.00 -3.24 0.00 -0.00 -0.17 -4.92 119.36 115.68 1j2q n ILE 120 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.56 1j2q n ILE 120 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.11 1j2q n ILE 120 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1j2q s GLU 121 N 4.82 0.47 0.00 0.38 8.01 0.14 -1.29 118.70 131.23 1j2q s GLU 121 Ca 0.00 0.76 0.20 0.00 0.01 0.00 0.00 54.97 55.94 1j2q s GLU 121 Cb 0.00 0.07 0.71 0.00 -4.31 0.00 0.00 34.13 30.60 1j2q s GLU 121 CO 0.00 -0.65 1.52 1.63 0.01 0.00 0.00 175.26 177.76 1j2q n LYS 121 N 5.40 1.71 0.05 1.61 5.02 -1.26 -3.44 118.16 127.24 1j2q n LYS 121 Ca -0.02 -1.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.21 1j2q n LYS 121 Cb 0.51 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.30 -0.91 -4.34 4.39 5.68 -1.26 -4.80 116.55 115.60 1j2q n ASP 122 Ca 0.15 0.24 -0.27 0.00 -0.50 0.00 0.00 54.79 54.41 1j2q n ASP 122 Cb 0.31 1.13 -0.13 0.00 -1.14 0.00 0.00 41.12 41.30 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 -1.29 2.02 -0.28 2.12 -1.09 -1.26 -0.72 121.20 120.70 1j2q s ILE 123 Ca 0.00 -1.63 -0.25 0.00 -2.23 0.00 0.00 60.65 56.54 1j2q s ILE 123 Cb 0.00 -1.79 0.12 0.00 -1.58 0.00 0.00 42.46 39.21 1j2q s ILE 123 CO 0.00 0.06 1.03 0.54 -1.23 0.00 0.00 174.94 175.34 1j2q s VAL 124 N -1.07 0.00 0.10 2.92 0.11 -0.62 -4.94 120.40 116.90 1j2q s VAL 124 Ca 0.11 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.19 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 0.05 0.00 -0.09 0.00 -3.33 0.00 0.00 175.10 171.72 1j2q s ALA 125 N 0.16 1.10 0.03 1.54 0.00 -1.26 -0.60 121.76 122.72 1j2q s ALA 125 Ca 0.03 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 1j2q s ALA 125 Cb -0.05 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1j2q s ALA 125 CO -0.06 -0.07 0.18 0.99 0.00 0.00 0.00 175.76 176.80 1j2q s THR 127 N -2.65 0.10 0.00 0.00 2.01 0.18 -4.89 115.64 110.39 1j2q s THR 127 Ca 0.07 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1j2q s THR 127 Cb -0.01 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1j2q s THR 127 CO -0.01 -0.46 0.00 0.61 -0.69 0.00 0.00 174.62 174.07 1j2q n GLY 128 N 0.94 0.22 0.34 4.40 0.00 -1.26 -0.66 105.19 109.17 1j2q n GLY 128 Ca -0.20 -1.89 0.16 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 1.61 4.64 -0.91 0.12 113.55 119.01 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 -0.94 0.61 -0.87 0.00 0.00 176.83 175.63 1j2q n GLY 130 N -1.23 -0.78 0.34 -0.77 0.00 -0.12 -4.65 105.19 97.98 1j2q n GLY 130 Ca -0.02 -0.53 0.18 0.00 0.00 0.00 0.00 46.02 45.66 1j2q n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j2q h SER 131 N 0.00 -0.27 -0.29 1.61 4.64 -1.08 -0.47 113.55 117.70 1j2q h SER 131 Ca 0.00 0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1j2q h SER 131 Cb 0.47 0.42 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1j2q h SER 131 CO 0.00 -0.36 0.17 -0.07 -0.87 0.00 0.00 176.83 175.70 1j2q h LEU 132 N 0.02 0.37 0.09 5.97 3.38 -1.83 0.56 115.31 123.87 1j2q h LEU 132 Ca 0.65 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.42 1j2q h LEU 132 Cb 1.45 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 42.13 1j2q h LEU 132 CO -0.87 0.29 -0.78 0.74 0.09 0.00 0.00 178.44 177.92 1j2q h THR 133 N 0.42 1.46 -0.70 0.22 2.02 -1.45 -3.20 112.91 111.68 1j2q h THR 133 Ca 0.11 -2.36 0.05 0.00 0.77 0.00 0.00 66.41 64.99 1j2q h THR 133 Cb 0.01 2.93 -0.05 0.00 -1.74 0.00 0.00 68.15 69.29 1j2q h THR 133 CO -0.02 0.68 0.42 0.00 0.37 0.00 0.00 175.52 176.97 1j2q h ALA 134 N 0.19 0.94 -0.34 6.16 0.00 -0.84 -0.02 119.26 125.35 1j2q h ALA 134 Ca -0.12 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1j2q h ALA 134 Cb 1.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1j2q h ALA 134 CO 0.15 0.14 0.28 1.88 0.00 0.00 0.00 179.25 181.70 1j2q h TYR 135 N 0.78 0.00 0.53 0.00 -1.99 0.06 -1.97 116.97 114.39 1j2q h TYR 135 Ca 0.30 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.01 1j2q h TYR 135 Cb 0.13 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1j2q h TYR 135 CO -0.06 0.00 -0.39 0.78 -0.00 0.00 0.00 178.16 178.49 1j2q h GLY 136 N 0.00 -1.13 1.01 3.88 0.00 -0.98 -0.42 103.07 105.42 1j2q h GLY 136 Ca 0.16 0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.89 1j2q h GLY 136 CO -0.00 -0.37 -0.09 -0.39 0.00 0.00 0.00 176.54 175.69 1j2q h VAL 137 N -0.89 1.27 -0.57 4.60 -1.51 -1.53 -2.74 116.25 114.88 1j2q h VAL 137 Ca -0.07 -1.18 0.09 0.00 -1.23 0.00 0.00 66.70 64.31 1j2q h VAL 137 Cb 0.73 1.14 -0.07 0.00 -2.13 0.00 0.00 31.29 30.96 1j2q h VAL 137 CO 0.03 0.40 0.18 -0.07 -1.23 0.00 0.00 177.57 176.88 1j2q h LEU 138 N 0.67 0.14 -0.11 4.19 3.38 -1.34 0.19 115.31 122.43 1j2q h LEU 138 Ca 0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1j2q h LEU 138 Cb 0.62 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1j2q h LEU 138 CO 0.04 0.09 0.00 1.21 0.09 0.00 0.00 178.44 179.87 1j2q n GLU 139 N -5.04 0.08 -0.08 1.13 2.13 -0.17 -1.95 120.64 116.73 1j2q n GLU 139 Ca 0.08 0.18 -0.14 0.00 0.66 0.00 0.00 57.16 57.93 1j2q n GLU 139 Cb 0.26 -1.62 -0.09 0.00 0.27 0.00 0.00 31.44 30.27 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 0.07 4.31 -0.00 -0.41 -3.40 116.42 116.99 1j2q h ASP 140 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 57.03 56.53 1j2q h ASP 140 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 1j2q h ASP 140 CO 0.00 1.12 -0.29 0.54 -0.00 0.00 0.00 179.24 180.61 1j2q n ARG 141 N -4.55 1.26 -2.86 0.28 1.74 -0.05 -4.98 116.66 107.50 1j2q n ARG 141 Ca -0.18 -0.93 -0.37 0.00 -0.77 0.00 0.00 57.85 55.61 1j2q n ARG 141 Cb 0.48 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.38 3.66 -0.07 -1.55 5.36 -0.82 -5.06 117.98 117.12 1j2q s PHE 142 Ca 0.24 1.68 -0.06 0.00 -0.96 0.00 0.00 56.93 57.83 1j2q s PHE 142 Cb 0.19 -2.85 0.02 0.00 -0.34 0.00 0.00 43.02 40.04 1j2q s PHE 142 CO 0.50 0.22 0.18 0.95 -1.46 0.00 0.00 175.22 175.61 1j2q s THR 143 N -1.62 -0.01 0.56 0.12 -4.23 -1.26 -5.00 115.64 104.21 1j2q s THR 143 Ca 0.49 0.02 0.28 0.00 -1.18 0.00 0.00 61.69 61.30 1j2q s THR 143 Cb -0.18 -0.26 0.40 0.00 1.34 0.00 0.00 72.50 73.80 1j2q s THR 143 CO 0.23 0.01 1.96 1.55 -0.54 0.00 0.00 174.62 177.82 1j2q h PRO 144 N 6.02 0.00 -0.00 3.99 0.13 -1.97 0.54 132.00 140.72 1j2q h PRO 144 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 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 0.40 0.00 -0.00 0.39 -0.23 0.00 0.00 178.00 178.55 1j2q n GLU 145 N -4.00 0.50 -1.62 0.86 4.71 -1.26 -3.80 120.64 116.03 1j2q n GLU 145 Ca 0.09 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.82 1j2q n GLU 145 Cb 0.64 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.58 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 -1.24 2.60 -4.05 -3.67 3.06 0.18 -4.65 119.36 111.59 1j2q n ILE 146 Ca 0.15 -0.50 -0.32 0.00 -2.50 0.00 0.00 62.75 59.59 1j2q n ILE 146 Cb 0.23 -1.19 -0.06 0.00 0.54 0.00 0.00 39.64 39.15 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 -0.79 2.05 0.43 4.50 0.00 -1.26 -2.31 107.32 109.94 1j2q s GLY 147 Ca 0.65 -0.92 0.27 0.00 0.00 0.00 0.00 44.72 44.71 1j2q s GLY 147 CO 0.56 -0.86 1.66 -0.39 0.00 0.00 0.00 173.10 174.06 1j2q h VAL 148 N 2.77 0.21 -0.46 1.40 -1.51 -1.91 0.65 116.25 117.40 1j2q h VAL 148 Ca -0.47 -0.05 -0.09 0.00 -1.23 0.00 0.00 66.70 64.86 1j2q h VAL 148 Cb 1.17 0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 1j2q h VAL 148 CO 0.66 0.03 -0.06 0.44 -1.23 0.00 0.00 177.57 177.40 1j2q h ASP 149 N 0.15 0.78 1.07 4.19 3.45 -1.96 -1.37 116.42 122.73 1j2q h ASP 149 Ca 0.77 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 58.01 1j2q h ASP 149 Cb 2.33 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 40.89 1j2q h ASP 149 CO -0.40 0.89 -0.92 1.05 -1.57 0.00 0.00 179.24 178.29 1j2q h GLU 150 N 0.74 0.00 -0.26 3.56 4.11 -1.43 -3.31 114.58 117.99 1j2q h GLU 150 Ca 0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.48 1j2q h GLU 150 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1j2q h GLU 150 CO 0.03 0.00 -0.21 0.00 0.07 0.00 0.00 179.01 178.90 1j2q h ALA 151 N 2.00 1.17 -0.02 1.06 0.00 -0.52 0.58 119.26 123.53 1j2q h ALA 151 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1j2q h ALA 151 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1j2q h ALA 151 CO 0.00 0.53 -0.58 -0.39 0.00 0.00 0.00 179.25 178.81 1j2q h VAL 152 N 0.42 1.41 0.04 0.00 -1.51 -1.35 0.78 116.25 116.04 1j2q h VAL 152 Ca 0.07 -1.97 -0.00 0.00 -1.23 0.00 0.00 66.70 63.56 1j2q h VAL 152 Cb 0.60 2.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1j2q h VAL 152 CO 0.04 0.57 -0.02 -0.08 -1.23 0.00 0.00 177.57 176.85 1j2q h GLU 153 N 0.05 -0.05 -0.65 5.19 4.81 -1.45 -1.67 114.58 120.81 1j2q h GLU 153 Ca -0.01 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1j2q h GLU 153 Cb 1.04 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.34 1j2q h GLU 153 CO 0.08 0.28 0.19 1.25 -0.73 0.00 0.00 179.01 180.08 1j2q h LEU 154 N -0.38 0.11 0.03 1.64 5.85 -0.65 0.53 115.31 122.46 1j2q h LEU 154 Ca -0.01 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1j2q h LEU 154 Cb 0.35 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1j2q h LEU 154 CO 0.01 0.05 -0.05 0.00 -0.34 0.00 0.00 178.44 178.11 1j2q h ALA 155 N 1.49 -0.09 -0.80 1.25 0.00 -0.68 -0.01 119.26 120.42 1j2q h ALA 155 Ca 0.35 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1j2q h ALA 155 Cb 0.51 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1j2q h ALA 155 CO -0.39 -0.56 0.53 0.28 0.00 0.00 0.00 179.25 179.11 1j2q h VAL 156 N -0.11 1.14 0.10 0.00 2.07 -0.57 -1.52 116.25 117.36 1j2q h VAL 156 Ca 0.01 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1j2q h VAL 156 Cb 0.12 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1j2q h VAL 156 CO -0.03 0.18 -0.13 -0.09 0.02 0.00 0.00 177.57 177.52 1j2q h ARG 157 N 1.01 -0.26 -0.07 1.57 2.43 -0.05 -0.05 114.38 118.96 1j2q h ARG 157 Ca 0.31 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1j2q h ARG 157 Cb 0.01 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1j2q h ARG 157 CO -0.09 -0.17 0.03 0.00 -1.51 0.00 0.00 179.97 178.22 1j2q h ALA 158 N 0.60 0.09 0.00 2.80 0.00 -0.56 -2.21 119.26 119.98 1j2q h ALA 158 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1j2q h ALA 158 Cb 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1j2q h ALA 158 CO -0.06 -0.32 -0.11 0.82 0.00 0.00 0.00 179.25 179.58 1j2q h ILE 159 N -0.05 0.49 -0.22 0.00 2.04 -1.23 -1.60 117.51 116.95 1j2q h ILE 159 Ca 0.02 -0.53 -0.20 0.00 1.00 0.00 0.00 64.86 65.15 1j2q h ILE 159 Cb 0.18 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1j2q h ILE 159 CO -0.00 0.11 -0.66 0.22 0.00 0.00 0.00 178.15 177.81 1j2q h TYR 160 N 0.00 1.06 -0.30 1.37 3.20 -0.59 -2.32 116.97 119.39 1j2q h TYR 160 Ca -0.00 -0.42 -0.04 0.00 3.14 0.00 0.00 58.73 61.41 1j2q h TYR 160 Cb 0.35 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1j2q h TYR 160 CO 0.00 1.25 0.04 0.77 -1.64 0.00 0.00 178.16 178.58 1j2q h SER 161 N 0.59 0.48 -0.81 -2.11 0.02 -0.78 -2.91 113.55 108.03 1j2q h SER 161 Ca -0.02 -0.27 0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1j2q h SER 161 Cb 1.28 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.64 1j2q h SER 161 CO 0.14 0.63 0.53 0.00 -1.14 0.00 0.00 176.83 176.99 1j2q h ALA 162 N 0.87 1.55 0.00 3.77 0.00 -1.29 -0.66 119.26 123.50 1j2q h ALA 162 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j2q h ALA 162 Cb 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j2q h ALA 162 CO 0.01 0.35 0.00 0.52 0.00 0.00 0.00 179.25 180.12 1j2q h MET 163 N 0.95 0.00 0.00 0.00 2.07 -1.21 -0.18 114.93 116.55 1j2q h MET 163 Ca 0.33 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.96 1j2q h MET 163 Cb 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.85 1j2q h MET 163 CO -0.11 0.00 -0.13 0.87 1.07 0.00 0.00 176.91 178.61 1j2q h LYS 164 N 0.00 0.00 0.00 1.72 1.57 -1.09 -3.37 116.57 115.40 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 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 -2.83 1.91 -3.92 3.15 5.12 -0.84 -4.96 116.66 114.28 1j2q n ARG 165 Ca 0.04 -0.13 -0.34 0.00 -1.93 0.00 0.00 57.85 55.49 1j2q n ARG 165 Cb 0.51 -0.51 -0.14 0.00 -1.16 0.00 0.00 32.46 31.16 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 -0.31 4.93 0.25 0.55 3.68 -0.14 -4.96 116.67 120.67 1j2q s ASP 166 Ca 0.00 -1.92 0.19 0.00 2.13 0.00 0.00 52.55 52.96 1j2q s ASP 166 Cb 0.00 -1.71 0.96 0.00 -1.45 0.00 0.00 42.92 40.72 1j2q s ASP 166 CO 0.00 -0.40 1.59 -1.54 0.13 0.00 0.00 175.17 174.95 1j2q n SER 167 N 4.44 0.50 -0.10 -0.34 3.41 -1.26 -0.93 113.62 119.34 1j2q n SER 167 Ca -0.02 0.69 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 1j2q n SER 167 Cb 0.42 -0.77 0.56 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.73 2.81 -2.30 7.33 0.00 -1.26 -4.86 120.51 120.50 1j2q n ALA 168 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1j2q n ALA 168 Cb 0.10 -1.32 -0.05 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 -2.59 4.83 0.00 0.00 0.01 -0.11 -0.89 113.70 114.94 1j2q s SER 169 Ca 0.25 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1j2q s SER 169 Cb 0.20 -0.54 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1j2q s SER 169 CO 0.51 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1j2q n GLY 170 N -1.43 0.42 3.64 3.44 0.00 -1.26 -4.89 105.19 105.11 1j2q n GLY 170 Ca 0.02 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 0.33 0.00 0.00 1.61 10.43 -1.26 -2.42 116.55 125.23 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 -0.11 0.00 0.00 1.84 0.00 0.00 41.12 42.85 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 -1.95 -1.63 3.33 0.44 0.00 -1.26 -4.85 105.19 99.27 1j2q n GLY 172 Ca 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.79 -0.02 0.03 -0.61 2.07 -1.26 -2.75 121.20 116.86 1j2q s ILE 173 Ca 0.00 0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.26 1j2q s ILE 173 Cb 0.00 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.88 1j2q s ILE 173 CO 0.00 0.03 0.25 -1.81 -1.91 0.00 0.00 174.94 171.50 1j2q s ASP 174 N 1.24 6.44 0.03 4.50 -0.00 0.05 -4.91 116.67 124.01 1j2q s ASP 174 Ca -0.08 0.46 0.01 0.00 -0.00 0.00 0.00 52.55 52.94 1j2q s ASP 174 Cb -0.07 -2.05 -0.02 0.00 -0.00 0.00 0.00 42.92 40.78 1j2q s ASP 174 CO -0.11 0.22 -0.05 -0.69 -0.00 0.00 0.00 175.17 174.53 1j2q s VAL 175 N -1.39 0.29 -0.06 -1.27 1.01 -1.26 -1.55 120.40 116.18 1j2q s VAL 175 Ca 0.30 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1j2q s VAL 175 Cb -0.13 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1j2q s VAL 175 CO 0.20 -0.44 0.12 -0.69 0.00 0.00 0.00 175.10 174.29 1j2q s VAL 176 N -1.41 -0.05 -0.12 2.92 1.01 0.38 -3.13 120.40 120.01 1j2q s VAL 176 Ca -0.13 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1j2q s VAL 176 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1j2q s VAL 176 CO -0.00 0.07 -0.01 -0.75 0.00 0.00 0.00 175.10 174.41 1j2q s LYS 177 N 1.06 3.31 -0.40 2.72 2.20 0.25 -1.78 119.74 127.09 1j2q s LYS 177 Ca -0.08 -0.45 0.02 0.00 -0.36 0.00 0.00 55.97 55.10 1j2q s LYS 177 Cb -0.11 -2.87 0.12 0.00 -1.51 0.00 0.00 37.83 33.46 1j2q s LYS 177 CO -0.05 0.50 0.18 0.42 -0.36 0.00 0.00 175.35 176.04 1j2q s ILE 178 N -0.33 1.55 -0.19 5.43 1.01 0.12 -0.54 121.20 128.25 1j2q s ILE 178 Ca 0.06 -2.33 -0.19 0.00 0.00 0.00 0.00 60.65 58.19 1j2q s ILE 178 Cb -0.12 -2.11 -0.20 0.00 0.01 0.00 0.00 42.46 40.03 1j2q s ILE 178 CO 0.02 -0.79 0.25 0.00 0.00 0.00 0.00 174.94 174.42 1j2q h THR 179 N 5.79 0.88 0.00 2.92 1.03 -1.53 -0.73 112.91 121.27 1j2q h THR 179 Ca -0.06 -2.21 0.00 0.00 -0.01 0.00 0.00 66.41 64.14 1j2q h THR 179 Cb 0.96 2.28 0.00 0.00 -1.07 0.00 0.00 68.15 70.32 1j2q h THR 179 CO 0.51 0.41 0.00 1.21 -0.01 0.00 0.00 175.52 177.64 1j2q n GLU 180 N -4.29 0.00 0.00 0.00 2.13 -1.26 -4.63 120.64 112.59 1j2q n GLU 180 Ca -0.32 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.64 1j2q n GLU 180 Cb 0.74 0.00 0.71 0.00 0.27 0.00 0.00 31.44 33.16 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 -3.62 4.31 9.92 -1.26 -4.89 116.55 121.01 1j2q n ASP 181 Ca 0.00 -0.06 -0.05 0.00 -0.53 0.00 0.00 54.79 54.15 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 -2.62 0.93 -0.37 -1.24 2.12 -1.26 -5.08 118.70 111.18 1j2q s GLU 182 Ca 0.26 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.15 1j2q s GLU 182 Cb 0.19 0.36 0.13 0.00 0.26 0.00 0.00 34.13 35.07 1j2q s GLU 182 CO 0.45 -0.42 0.19 0.12 -0.54 0.00 0.00 175.26 175.06 1j2q s PHE 183 N -3.11 1.29 -0.08 5.30 5.36 -1.26 -1.51 117.98 123.97 1j2q s PHE 183 Ca 0.09 -1.84 -0.04 0.00 -0.96 0.00 0.00 56.93 54.18 1j2q s PHE 183 Cb -0.01 -1.40 -0.04 0.00 -0.34 0.00 0.00 43.02 41.24 1j2q s PHE 183 CO -0.04 -0.82 0.08 -0.47 -1.46 0.00 0.00 175.22 172.51 1j2q s TYR 184 N 1.04 3.37 -0.26 10.12 6.04 0.30 -4.95 117.35 133.00 1j2q s TYR 184 Ca 0.15 0.33 0.02 0.00 0.04 0.00 0.00 57.07 57.62 1j2q s TYR 184 Cb -0.22 -1.84 0.07 0.00 -1.04 0.00 0.00 41.96 38.93 1j2q s TYR 184 CO -0.08 0.60 -0.07 -1.14 -1.54 0.00 0.00 175.55 173.32 1j2q s GLN 185 N -1.16 1.90 0.49 4.97 0.74 -1.26 -0.59 119.66 124.76 1j2q s GLN 185 Ca 0.16 -1.30 0.15 0.00 0.05 0.00 0.00 55.36 54.43 1j2q s GLN 185 Cb -0.12 -2.81 0.83 0.00 1.10 0.00 0.00 33.01 32.01 1j2q s GLN 185 CO 0.06 -0.64 1.40 1.88 -0.55 0.00 0.00 175.29 177.44 1j2q h TYR 186 N 7.82 0.00 -3.12 1.67 -1.99 -1.96 -3.49 116.97 115.89 1j2q h TYR 186 Ca -0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.56 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 0.56 0.00 -0.77 0.43 -0.00 0.00 0.00 178.16 178.39 1j2q n SER 187 N -2.36 -7.41 -0.64 3.88 7.64 -1.26 -3.61 113.62 109.86 1j2q n SER 187 Ca -0.01 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1j2q n SER 187 Cb 0.49 -3.89 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 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 -0.92 0.00 0.00 1.43 -0.04 -1.26 -2.37 135.00 131.84 1j2q n PRO 188 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j2q n PRO 188 Cb 0.00 -0.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.11 0.00 -0.03 0.54 1.02 -1.24 0.36 120.64 121.40 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 -0.10 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 1.47 -0.55 2.62 2.07 -1.65 -2.30 116.25 117.91 1j2q h VAL 189 Ca 0.00 -1.63 0.16 0.00 0.82 0.00 0.00 66.70 66.05 1j2q h VAL 189 Cb 0.00 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1j2q h VAL 189 CO 0.00 0.45 0.46 -0.08 0.02 0.00 0.00 177.57 178.42 1j2q h GLU 190 N -0.37 0.00 0.00 1.57 4.57 -0.36 0.46 114.58 120.45 1j2q h GLU 190 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1j2q h GLU 190 Cb 0.82 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1j2q h GLU 190 CO 0.04 0.00 -0.82 0.37 -1.18 0.00 0.00 179.01 177.41 1j2q h GLN 191 N 0.00 0.00 0.14 1.92 4.15 -1.76 -3.01 115.11 116.56 1j2q h GLN 191 Ca 0.26 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.38 1j2q h GLN 191 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1j2q h GLN 191 CO -0.00 0.02 -1.45 0.82 -1.93 0.00 0.00 178.83 176.29 1j2q h ILE 192 N 0.00 1.26 -0.00 2.39 2.04 0.43 -3.19 117.51 120.45 1j2q h ILE 192 Ca -0.01 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 63.00 1j2q h ILE 192 Cb 1.03 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1j2q h ILE 192 CO 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 178.15 178.86 1j2q n LEU 193 N -3.52 0.59 0.21 1.44 -0.00 -0.37 -3.19 117.00 112.16 1j2q n LEU 193 Ca -0.14 -0.05 0.07 0.00 -0.00 0.00 0.00 56.01 55.89 1j2q n LEU 193 Cb 1.05 -0.17 0.46 0.00 -0.00 0.00 0.00 43.42 44.76 1j2q n LEU 193 CO 0.53 0.11 0.78 0.00 -0.00 0.00 0.00 177.39 178.81 1j2q h ALA 194 N 3.64 1.16 -0.01 1.47 0.00 -1.36 -1.70 119.26 122.45 1j2q h ALA 194 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1j2q h ALA 194 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 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 -3.67 1.03 0.00 0.00 5.02 -1.19 -4.28 118.16 115.07 1j2q n LYS 195 Ca -0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1j2q n LYS 195 Cb 0.41 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1j2q n LYS 195 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1j2q n PHE 196 N -0.28 0.00 -0.70 2.13 0.99 -0.65 -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 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.59 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 -1.23 0.00 0.00 -1.08 3.00 -1.18 -5.17 116.66 111.00 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