#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h69 s GLY 2 N 0.00 0.17 -0.05 0.00 0.00 -1.26 -5.01 107.32 101.17 1h69 s GLY 2 Ca 0.00 0.24 0.12 0.00 0.00 0.00 0.00 44.72 45.08 1h69 s GLY 2 CO 0.00 1.20 0.19 0.54 0.00 0.00 0.00 173.10 175.03 1h69 n ARG 3 N 4.98 1.02 -4.26 2.90 5.12 -1.26 -4.92 116.66 120.23 1h69 n ARG 3 Ca -0.10 -0.07 -0.34 0.00 -1.93 0.00 0.00 57.85 55.40 1h69 n ARG 3 Cb 0.50 -1.30 -0.11 0.00 -1.16 0.00 0.00 32.46 30.39 1h69 n ARG 3 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1h69 s ARG 4 N -2.66 3.72 0.03 5.56 1.81 -1.26 0.17 118.95 126.31 1h69 s ARG 4 Ca -0.05 -0.45 0.05 0.00 -1.72 0.00 0.00 55.73 53.57 1h69 s ARG 4 Cb 0.06 -3.01 -0.02 0.00 -0.45 0.00 0.00 34.95 31.54 1h69 s ARG 4 CO 0.51 0.30 -0.16 0.00 -0.68 0.00 0.00 175.30 175.27 1h69 s ALA 5 N 0.24 1.33 -0.14 2.13 0.00 0.77 0.15 121.76 126.25 1h69 s ALA 5 Ca -0.00 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1h69 s ALA 5 Cb -0.13 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1h69 s ALA 5 CO 0.02 0.28 -0.18 -1.17 0.00 0.00 0.00 175.76 174.72 1h69 s LEU 6 N -0.95 1.89 -0.32 0.00 2.96 0.15 -0.58 118.68 121.82 1h69 s LEU 6 Ca 0.04 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 53.37 1h69 s LEU 6 Cb -0.08 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.38 1h69 s LEU 6 CO 0.01 0.01 0.08 -0.63 -1.32 0.00 0.00 176.35 174.51 1h69 s ILE 7 N 1.10 3.69 -0.26 6.68 1.01 -0.02 -0.12 121.20 133.28 1h69 s ILE 7 Ca -0.02 -1.08 -0.17 0.00 0.00 0.00 0.00 60.65 59.38 1h69 s ILE 7 Cb -0.14 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1h69 s ILE 7 CO -0.06 -0.11 0.47 -0.69 0.00 0.00 0.00 174.94 174.55 1h69 s VAL 8 N 1.40 5.10 -0.08 2.92 1.01 0.10 -1.09 120.40 129.76 1h69 s VAL 8 Ca -0.01 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.76 1h69 s VAL 8 Cb -0.19 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1h69 s VAL 8 CO 0.02 0.11 -0.15 -0.22 0.00 0.00 0.00 175.10 174.86 1h69 s LEU 9 N 2.23 2.65 -0.60 3.92 2.96 -0.33 -0.83 118.68 128.68 1h69 s LEU 9 Ca 0.19 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 1h69 s LEU 9 Cb -0.16 -1.55 0.20 0.00 0.50 0.00 0.00 46.19 45.18 1h69 s LEU 9 CO 0.09 0.27 0.54 0.00 -1.32 0.00 0.00 176.35 175.93 1h69 n ALA 10 N 2.83 3.38 -3.68 5.97 0.00 -0.72 -2.34 120.51 125.96 1h69 n ALA 10 Ca -0.18 -4.20 -0.09 0.00 0.00 0.00 0.00 53.44 48.97 1h69 n ALA 10 Cb 0.52 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 1h69 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1h69 s HIS 11 N -1.43 -0.76 -0.06 0.00 5.04 -1.26 -4.46 115.29 112.35 1h69 s HIS 11 Ca 0.32 1.56 0.29 0.00 -1.54 0.00 0.00 55.06 55.68 1h69 s HIS 11 Cb 0.05 0.38 0.97 0.00 0.04 0.00 0.00 32.58 34.02 1h69 s HIS 11 CO -0.13 -0.41 1.84 0.66 -2.34 0.00 0.00 174.74 174.36 1h69 h SER 12 N 7.16 0.00 -3.53 9.88 4.64 -1.99 -3.44 113.55 126.27 1h69 h SER 12 Ca -0.33 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.36 1h69 h SER 12 Cb 1.19 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.13 1h69 h SER 12 CO 0.25 0.04 -0.53 -1.61 -0.87 0.00 0.00 176.83 174.11 1h69 s GLU 13 N -3.51 4.01 0.01 4.77 0.41 -1.26 -4.94 118.70 118.20 1h69 s GLU 13 Ca 0.03 -0.30 0.18 0.00 -0.41 0.00 0.00 54.97 54.47 1h69 s GLU 13 Cb 0.08 -3.46 0.78 0.00 -1.78 0.00 0.00 34.13 29.75 1h69 s GLU 13 CO 0.60 0.08 1.58 -2.13 -0.49 0.00 0.00 175.26 174.90 1h69 n ARG 14 N 4.21 0.01 0.00 1.61 0.63 -1.26 -2.45 116.66 119.41 1h69 n ARG 14 Ca -0.15 0.20 0.12 0.00 -0.92 0.00 0.00 57.85 57.09 1h69 n ARG 14 Cb 0.52 -1.52 0.08 0.00 0.45 0.00 0.00 32.46 31.99 1h69 n ARG 14 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1h69 n THR 15 N -1.53 0.00 -1.41 5.15 -2.24 -1.26 -4.79 114.28 108.19 1h69 n THR 15 Ca 0.04 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 1h69 n THR 15 Cb 0.21 1.17 0.12 0.00 -2.10 0.00 0.00 70.33 69.73 1h69 n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h69 s SER 16 N -2.37 3.95 0.23 3.42 1.04 -1.02 -4.93 113.70 114.01 1h69 s SER 16 Ca 0.22 1.33 0.01 0.00 0.48 0.00 0.00 55.95 57.98 1h69 s SER 16 Cb 0.19 -2.02 0.25 0.00 0.10 0.00 0.00 66.02 64.53 1h69 s SER 16 CO 0.51 -2.32 1.58 0.15 0.98 0.00 0.00 173.24 174.14 1h69 h PHE 17 N -1.33 0.51 -0.73 5.02 3.57 -1.94 -2.50 116.94 119.54 1h69 h PHE 17 Ca -0.49 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 60.90 1h69 h PHE 17 Cb 1.28 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 1h69 h PHE 17 CO 0.42 0.83 0.44 -0.91 -2.23 0.00 0.00 178.31 176.86 1h69 h ASN 18 N 0.33 0.68 -0.21 0.41 2.35 -1.93 0.56 115.58 117.77 1h69 h ASN 18 Ca 0.02 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1h69 h ASN 18 Cb 0.98 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 1h69 h ASN 18 CO 0.09 0.45 0.03 0.22 -1.65 0.00 0.00 177.43 176.57 1h69 h TYR 19 N 0.82 0.38 -0.29 1.19 3.20 -1.76 -0.74 116.97 119.76 1h69 h TYR 19 Ca 0.31 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.19 1h69 h TYR 19 Cb 0.12 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 1h69 h TYR 19 CO -0.05 0.49 -0.13 0.00 -1.64 0.00 0.00 178.16 176.83 1h69 h ALA 20 N 0.84 0.11 -0.87 1.82 0.00 -0.82 0.50 119.26 120.84 1h69 h ALA 20 Ca 0.07 0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.23 1h69 h ALA 20 Cb 0.32 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1h69 h ALA 20 CO 0.00 -0.53 0.56 0.52 0.00 0.00 0.00 179.25 179.81 1h69 h MET 21 N -0.09 0.65 -0.36 0.00 2.86 0.38 0.18 114.93 118.55 1h69 h MET 21 Ca 0.15 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.59 1h69 h MET 21 Cb 0.32 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1h69 h MET 21 CO -0.35 0.43 -0.40 -0.22 1.06 0.00 0.00 176.91 177.43 1h69 h LYS 22 N 0.67 0.89 -0.31 1.72 3.64 0.52 -1.69 116.57 122.02 1h69 h LYS 22 Ca 0.43 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1h69 h LYS 22 Cb 0.71 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1h69 h LYS 22 CO -0.19 1.12 -0.01 0.93 -2.27 0.00 0.00 179.45 179.03 1h69 h GLU 23 N 0.72 0.55 -0.03 1.90 4.39 0.64 -1.47 114.58 121.27 1h69 h GLU 23 Ca 0.06 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.61 1h69 h GLU 23 Cb 0.99 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.55 1h69 h GLU 23 CO 0.10 0.69 -0.20 0.00 -1.16 0.00 0.00 179.01 178.44 1h69 h ALA 24 N 0.83 -0.22 -0.50 3.43 0.00 -0.66 -0.38 119.26 121.76 1h69 h ALA 24 Ca 0.09 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1h69 h ALA 24 Cb 0.46 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1h69 h ALA 24 CO 0.02 -0.68 0.24 0.00 0.00 0.00 0.00 179.25 178.83 1h69 h ALA 25 N 0.63 0.63 -0.14 0.00 0.00 -1.23 0.56 119.26 119.72 1h69 h ALA 25 Ca 0.07 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1h69 h ALA 25 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1h69 h ALA 25 CO -0.21 -0.11 0.06 0.00 0.00 0.00 0.00 179.25 178.99 1h69 h ALA 26 N 1.28 0.16 -0.49 0.00 0.00 -0.81 -1.08 119.26 118.31 1h69 h ALA 26 Ca 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1h69 h ALA 26 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1h69 h ALA 26 CO -0.16 -0.38 0.23 0.00 0.00 0.00 0.00 179.25 178.93 1h69 h ALA 27 N 1.08 0.64 0.10 0.00 0.00 -0.72 -1.43 119.26 118.92 1h69 h ALA 27 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1h69 h ALA 27 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1h69 h ALA 27 CO -0.05 0.21 -0.05 0.00 0.00 0.00 0.00 179.25 179.36 1h69 h ALA 28 N 1.07 -0.13 -0.74 0.00 0.00 -0.76 -1.35 119.26 117.36 1h69 h ALA 28 Ca 0.17 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1h69 h ALA 28 Cb 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1h69 h ALA 28 CO -0.02 -0.48 0.27 -0.07 0.00 0.00 0.00 179.25 178.95 1h69 h LEU 29 N -0.31 1.05 -0.75 0.00 4.07 -1.19 -2.62 115.31 115.56 1h69 h LEU 29 Ca -0.01 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 57.71 1h69 h LEU 29 Cb 0.26 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 1h69 h LEU 29 CO 0.02 0.95 0.27 0.11 -1.08 0.00 0.00 178.44 178.71 1h69 h LYS 30 N 1.08 1.15 0.00 1.13 1.57 -1.23 -0.17 116.57 120.10 1h69 h LYS 30 Ca 0.24 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1h69 h LYS 30 Cb 0.25 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1h69 h LYS 30 CO -0.02 0.96 0.00 0.87 -0.57 0.00 0.00 179.45 180.69 1h69 h LYS 31 N 1.10 0.00 -0.39 3.15 1.57 -0.87 0.35 116.57 121.48 1h69 h LYS 31 Ca 0.25 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1h69 h LYS 31 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1h69 h LYS 31 CO -0.01 0.00 0.01 1.63 -0.57 0.00 0.00 179.45 180.51 1h69 n LYS 32 N -2.82 3.60 -1.08 3.15 4.76 -0.88 -4.95 118.16 119.94 1h69 n LYS 32 Ca -0.02 -2.98 -0.02 0.00 -2.87 0.00 0.00 58.31 52.42 1h69 n LYS 32 Cb 0.10 -2.01 -0.01 0.00 -1.84 0.00 0.00 35.03 31.27 1h69 n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h69 n GLY 33 N -0.14 0.51 3.89 0.72 0.00 0.11 -5.05 105.19 105.24 1h69 n GLY 33 Ca 0.25 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1h69 n GLY 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h69 s TRP 34 N -2.07 3.50 -0.21 1.61 0.52 -0.13 -4.95 118.94 117.22 1h69 s TRP 34 Ca 0.00 0.92 -0.12 0.00 0.02 0.00 0.00 56.10 56.92 1h69 s TRP 34 Cb 0.00 -2.35 -0.05 0.00 -1.15 0.00 0.00 33.47 29.92 1h69 s TRP 34 CO 0.00 -0.13 0.23 -1.21 0.02 0.00 0.00 176.95 175.86 1h69 s GLU 35 N -4.10 4.15 -0.21 4.98 2.02 0.45 -4.32 118.70 121.65 1h69 s GLU 35 Ca 0.49 -0.10 -0.01 0.00 0.02 0.00 0.00 54.97 55.37 1h69 s GLU 35 Cb -0.10 -3.50 0.01 0.00 0.10 0.00 0.00 34.13 30.64 1h69 s GLU 35 CO 0.36 0.12 -0.11 0.08 0.02 0.00 0.00 175.26 175.73 1h69 s VAL 36 N 0.87 2.74 -0.04 2.63 1.01 -1.26 -0.16 120.40 126.18 1h69 s VAL 36 Ca 0.11 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1h69 s VAL 36 Cb -0.13 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1h69 s VAL 36 CO 0.04 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 174.74 1h69 s VAL 37 N 1.36 3.39 0.19 2.92 1.01 0.26 -5.00 120.40 124.54 1h69 s VAL 37 Ca 0.04 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.45 1h69 s VAL 37 Cb -0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1h69 s VAL 37 CO -0.07 0.55 -0.13 -1.61 0.00 0.00 0.00 175.10 173.83 1h69 s GLU 38 N -0.92 1.91 -0.45 2.72 2.02 -1.26 -0.84 118.70 121.88 1h69 s GLU 38 Ca 0.13 -1.37 0.03 0.00 0.02 0.00 0.00 54.97 53.78 1h69 s GLU 38 Cb -0.11 -2.05 0.16 0.00 0.10 0.00 0.00 34.13 32.23 1h69 s GLU 38 CO 0.02 0.42 0.33 -1.12 0.02 0.00 0.00 175.26 174.93 1h69 s SER 39 N -2.87 2.40 -0.90 -0.19 0.01 -0.25 -4.92 113.70 106.98 1h69 s SER 39 Ca 0.24 -3.01 -0.20 0.00 1.31 0.00 0.00 55.95 54.29 1h69 s SER 39 Cb -0.08 -0.67 0.10 0.00 0.21 0.00 0.00 66.02 65.58 1h69 s SER 39 CO 0.14 -0.19 1.17 -0.62 0.41 0.00 0.00 173.24 174.16 1h69 s ASP 40 N 0.01 6.52 0.23 2.44 -1.08 -1.26 -1.19 116.67 122.35 1h69 s ASP 40 Ca 0.28 -1.73 -0.08 0.00 -0.52 0.00 0.00 52.55 50.50 1h69 s ASP 40 Cb -0.04 -2.44 0.38 0.00 -1.46 0.00 0.00 42.92 39.36 1h69 s ASP 40 CO -0.14 -1.23 1.67 -0.07 0.52 0.00 0.00 175.17 175.92 1h69 h LEU 41 N 11.11 -0.17 0.09 -1.34 3.38 -1.85 0.30 115.31 126.84 1h69 h LEU 41 Ca 0.09 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1h69 h LEU 41 Cb 1.03 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1h69 h LEU 41 CO 1.19 -0.09 -0.04 1.88 0.09 0.00 0.00 178.44 181.47 1h69 h TYR 42 N 0.18 -0.11 0.00 1.13 0.05 -1.85 -1.32 116.97 115.04 1h69 h TYR 42 Ca 0.37 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.14 1h69 h TYR 42 Cb 0.62 0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.40 1h69 h TYR 42 CO -0.33 0.12 -0.04 0.00 -1.05 0.00 0.00 178.16 176.86 1h69 h ALA 43 N 0.57 1.21 -0.01 3.88 0.00 -1.72 -0.04 119.26 123.15 1h69 h ALA 43 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1h69 h ALA 43 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1h69 h ALA 43 CO 0.02 0.05 -0.13 -1.33 0.00 0.00 0.00 179.25 177.86 1h69 n MET 44 N -3.43 0.96 -3.71 0.00 2.81 1.00 -4.91 117.12 109.83 1h69 n MET 44 Ca -0.02 -0.45 -0.24 0.00 -1.81 0.00 0.00 57.70 55.18 1h69 n MET 44 Cb 0.15 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.22 1h69 n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1h69 n ASN 45 N -0.63 -3.51 -4.75 7.83 2.85 -0.03 -4.88 115.26 112.14 1h69 n ASN 45 Ca 0.15 -0.72 -0.41 0.00 -0.11 0.00 0.00 54.58 53.49 1h69 n ASN 45 Cb 0.30 -4.36 -0.03 0.00 1.24 0.00 0.00 39.78 36.94 1h69 n ASN 45 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1h69 s PHE 46 N -3.44 3.17 -0.42 1.20 5.36 -0.55 -5.00 117.98 118.31 1h69 s PHE 46 Ca 0.33 1.24 -0.20 0.00 -0.96 0.00 0.00 56.93 57.35 1h69 s PHE 46 Cb -0.16 -3.65 0.02 0.00 -0.34 0.00 0.00 43.02 38.89 1h69 s PHE 46 CO 0.79 -2.00 0.57 1.21 -1.46 0.00 0.00 175.22 174.34 1h69 s ASN 47 N 0.11 6.29 0.00 6.13 3.04 -1.26 -4.94 114.94 124.31 1h69 s ASN 47 Ca 0.55 -0.38 0.27 0.00 0.04 0.00 0.00 52.86 53.34 1h69 s ASN 47 Cb -0.38 -2.29 1.09 0.00 -1.54 0.00 0.00 41.25 38.13 1h69 s ASN 47 CO 0.43 -0.69 1.76 -0.81 -3.04 0.00 0.00 177.10 174.75 1h69 n PRO 48 N 6.03 1.58 -3.29 0.43 -0.04 -1.26 -4.84 135.00 133.61 1h69 n PRO 48 Ca -0.03 -0.85 -0.42 0.00 -0.04 0.00 0.00 63.50 62.15 1h69 n PRO 48 Cb 0.48 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1h69 n PRO 48 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1h69 s ILE 49 N -1.96 5.05 0.34 0.52 -1.09 -1.26 -4.22 121.20 118.58 1h69 s ILE 49 Ca 0.38 -0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.42 1h69 s ILE 49 Cb 0.20 -4.01 -0.10 0.00 -1.58 0.00 0.00 42.46 36.97 1h69 s ILE 49 CO 0.32 -0.35 1.32 0.27 -1.23 0.00 0.00 174.94 175.26 1h69 s ILE 50 N 2.25 2.68 0.23 2.92 -4.36 -1.26 -4.98 121.20 118.68 1h69 s ILE 50 Ca 0.15 0.68 -0.22 0.00 -0.26 0.00 0.00 60.65 61.00 1h69 s ILE 50 Cb -0.16 -3.43 0.05 0.00 1.25 0.00 0.00 42.46 40.16 1h69 s ILE 50 CO 0.14 0.16 0.87 -0.94 0.24 0.00 0.00 174.94 175.42 1h69 s SER 51 N -0.47 -0.14 0.00 4.36 1.04 -1.26 -5.00 113.70 112.23 1h69 s SER 51 Ca 0.49 -0.63 0.09 0.00 0.48 0.00 0.00 55.95 56.38 1h69 s SER 51 Cb -0.40 0.62 0.40 0.00 0.10 0.00 0.00 66.02 66.74 1h69 s SER 51 CO 0.53 -1.18 1.28 -2.11 0.98 0.00 0.00 173.24 172.74 1h69 n ARG 52 N -0.51 0.02 0.00 4.02 1.85 -1.26 -1.84 116.66 118.94 1h69 n ARG 52 Ca -0.05 0.32 0.08 0.00 -1.00 0.00 0.00 57.85 57.20 1h69 n ARG 52 Cb 0.60 -1.50 0.47 0.00 -1.05 0.00 0.00 32.46 30.98 1h69 n ARG 52 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1h69 n LYS 53 N -1.47 0.97 0.00 2.89 5.02 -1.26 -2.28 118.16 122.04 1h69 n LYS 53 Ca 0.03 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 1h69 n LYS 53 Cb 0.10 -1.25 0.35 0.00 -0.02 0.00 0.00 35.03 34.21 1h69 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1h69 n ASP 54 N -0.75 0.62 -4.35 4.39 8.00 -0.77 -4.76 116.55 118.93 1h69 n ASP 54 Ca 0.12 -0.42 -0.33 0.00 0.71 0.00 0.00 54.79 54.87 1h69 n ASP 54 Cb 0.05 0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.14 1h69 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h69 s ILE 55 N -2.80 2.89 -0.21 0.53 1.09 -0.96 -1.09 121.20 120.65 1h69 s ILE 55 Ca 0.17 -0.73 0.01 0.00 -1.10 0.00 0.00 60.65 59.00 1h69 s ILE 55 Cb 0.18 -2.19 -0.20 0.00 -1.06 0.00 0.00 42.46 39.19 1h69 s ILE 55 CO 0.61 0.53 -0.01 0.35 -0.10 0.00 0.00 174.94 176.33 1h69 n THR 56 N 3.43 1.58 -0.98 2.92 -2.24 0.20 -4.92 114.28 114.27 1h69 n THR 56 Ca -0.18 -0.62 -0.30 0.00 -2.27 0.00 0.00 64.05 60.68 1h69 n THR 56 Cb 0.53 -1.44 0.16 0.00 -2.10 0.00 0.00 70.33 67.48 1h69 n THR 56 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1h69 s GLY 57 N -6.13 1.62 0.20 3.38 0.00 -1.25 -4.94 107.32 100.20 1h69 s GLY 57 Ca -0.29 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 1h69 s GLY 57 CO 0.67 0.58 1.23 -1.59 0.00 0.00 0.00 173.10 173.99 1h69 s LYS 58 N -4.78 4.46 0.58 2.90 -2.85 -1.26 -4.98 119.74 113.82 1h69 s LYS 58 Ca 0.65 1.94 -0.20 0.00 -1.00 0.00 0.00 55.97 57.36 1h69 s LYS 58 Cb -0.20 -3.21 -0.04 0.00 -2.06 0.00 0.00 37.83 32.32 1h69 s LYS 58 CO 0.59 -0.12 1.26 -0.51 0.10 0.00 0.00 175.35 176.67 1h69 s LEU 59 N -0.38 3.72 0.24 2.77 1.43 -1.26 -4.92 118.68 120.28 1h69 s LEU 59 Ca 0.53 2.53 0.05 0.00 -1.03 0.00 0.00 54.13 56.21 1h69 s LEU 59 Cb -0.34 -4.49 0.27 0.00 0.03 0.00 0.00 46.19 41.66 1h69 s LEU 59 CO 0.38 -1.63 1.57 0.50 0.23 0.00 0.00 176.35 177.41 1h69 h LYS 60 N 1.05 0.24 -2.26 1.70 3.64 -1.96 -3.39 116.57 115.59 1h69 h LYS 60 Ca -0.51 -0.16 -0.55 0.00 -1.27 0.00 0.00 60.65 58.16 1h69 h LYS 60 Cb 1.30 0.02 -0.36 0.00 -0.41 0.00 0.00 32.23 32.78 1h69 h LYS 60 CO 0.56 0.75 -0.93 0.34 -2.27 0.00 0.00 179.45 177.90 1h69 s ASP 61 N -6.89 1.26 0.56 4.20 -1.08 -1.26 -4.99 116.67 108.46 1h69 s ASP 61 Ca -0.04 -2.89 0.33 0.00 -0.52 0.00 0.00 52.55 49.43 1h69 s ASP 61 Cb 0.12 -0.23 1.58 0.00 -1.46 0.00 0.00 42.92 42.93 1h69 s ASP 61 CO 0.80 -0.17 2.08 -0.65 0.52 0.00 0.00 175.17 177.74 1h69 h PRO 62 N 5.69 0.00 0.01 4.34 0.11 -1.99 -3.02 132.00 137.14 1h69 h PRO 62 Ca 0.24 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.15 1h69 h PRO 62 Cb 0.93 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1h69 h PRO 62 CO 0.33 0.06 -0.89 0.00 -0.21 0.00 0.00 178.00 177.29 1h69 h ALA 63 N 1.94 0.52 -2.65 -0.75 0.00 -1.97 -3.38 119.26 112.96 1h69 h ALA 63 Ca -0.00 -0.75 -0.59 0.00 0.00 0.00 0.00 54.91 53.56 1h69 h ALA 63 Cb 0.37 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 17.68 1h69 h ALA 63 CO 0.01 0.97 -0.84 1.21 0.00 0.00 0.00 179.25 180.60 1h69 s ASN 64 N -6.88 2.82 -0.02 0.00 2.47 -1.15 -5.11 114.94 107.07 1h69 s ASN 64 Ca -0.02 -2.64 -0.30 0.00 0.42 0.00 0.00 52.86 50.32 1h69 s ASN 64 Cb 0.10 -0.64 -0.04 0.00 -1.45 0.00 0.00 41.25 39.22 1h69 s ASN 64 CO 0.82 -0.25 1.24 0.12 -3.72 0.00 0.00 177.10 175.32 1h69 s PHE 65 N 0.46 3.16 -0.28 0.43 2.19 -1.18 -4.79 117.98 117.97 1h69 s PHE 65 Ca 0.22 1.15 -0.00 0.00 0.33 0.00 0.00 56.93 58.63 1h69 s PHE 65 Cb -0.15 -3.47 0.09 0.00 -1.31 0.00 0.00 43.02 38.18 1h69 s PHE 65 CO -0.06 -1.55 0.06 -0.65 1.83 0.00 0.00 175.22 174.84 1h69 s GLN 66 N 2.04 0.95 0.22 10.12 -0.21 -1.26 -5.04 119.66 126.47 1h69 s GLN 66 Ca 0.58 -1.05 -0.15 0.00 0.02 0.00 0.00 55.36 54.76 1h69 s GLN 66 Cb -0.27 -2.25 0.25 0.00 1.00 0.00 0.00 33.01 31.73 1h69 s GLN 66 CO 0.24 -0.86 1.59 -0.92 -2.12 0.00 0.00 175.29 173.22 1h69 h TYR 67 N 8.03 -0.65 0.16 0.91 3.20 -1.98 -2.32 116.97 124.32 1h69 h TYR 67 Ca -0.14 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1h69 h TYR 67 Cb 1.04 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 39.67 1h69 h TYR 67 CO 0.38 -0.36 -0.51 -1.35 -1.64 0.00 0.00 178.16 174.69 1h69 h PRO 68 N -0.05 -0.73 -0.78 1.82 0.11 -1.99 -0.02 132.00 130.35 1h69 h PRO 68 Ca 0.32 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1h69 h PRO 68 Cb 0.56 0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.80 1h69 h PRO 68 CO -0.78 -0.49 0.50 0.00 -0.21 0.00 0.00 178.00 177.03 1h69 h ALA 69 N -0.62 0.99 -0.31 -0.75 0.00 -1.96 -2.11 119.26 114.50 1h69 h ALA 69 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1h69 h ALA 69 Cb 0.75 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1h69 h ALA 69 CO -0.25 0.42 -0.15 0.93 0.00 0.00 0.00 179.25 180.20 1h69 h GLU 70 N 1.06 0.66 -0.03 0.00 4.39 -1.24 -1.76 114.58 117.66 1h69 h GLU 70 Ca 0.28 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1h69 h GLU 70 Cb -0.10 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1h69 h GLU 70 CO -0.06 0.88 -0.46 0.66 -1.16 0.00 0.00 179.01 178.87 1h69 h SER 71 N 0.42 0.08 -0.13 1.42 4.64 -0.96 0.18 113.55 119.20 1h69 h SER 71 Ca 0.07 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 1h69 h SER 71 Cb 0.68 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1h69 h SER 71 CO 0.05 0.53 -0.56 0.58 -0.87 0.00 0.00 176.83 176.56 1h69 h VAL 72 N 0.06 1.30 -0.36 0.95 2.07 -1.32 -0.21 116.25 118.73 1h69 h VAL 72 Ca 0.00 -1.77 -0.08 0.00 0.82 0.00 0.00 66.70 65.67 1h69 h VAL 72 Cb 0.84 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1h69 h VAL 72 CO 0.06 0.57 -0.07 0.25 0.02 0.00 0.00 177.57 178.39 1h69 h LEU 73 N 0.55 0.70 -1.28 2.57 5.85 -0.85 -2.09 115.31 120.75 1h69 h LEU 73 Ca 0.01 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1h69 h LEU 73 Cb 1.14 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1h69 h LEU 73 CO 0.11 0.89 0.25 0.00 -0.34 0.00 0.00 178.44 179.36 1h69 h ALA 74 N 0.83 1.45 -0.29 1.25 0.00 -0.54 0.25 119.26 122.20 1h69 h ALA 74 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1h69 h ALA 74 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1h69 h ALA 74 CO 0.03 0.44 0.08 -0.92 0.00 0.00 0.00 179.25 178.88 1h69 h TYR 75 N 0.75 0.48 -0.37 0.00 3.20 -0.67 0.32 116.97 120.68 1h69 h TYR 75 Ca 0.19 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 1h69 h TYR 75 Cb 0.08 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1h69 h TYR 75 CO 0.01 0.51 -0.26 0.87 -1.64 0.00 0.00 178.16 177.65 1h69 h LYS 76 N 0.31 0.77 -0.01 1.82 1.57 -0.86 -3.17 116.57 117.00 1h69 h LYS 76 Ca 0.09 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1h69 h LYS 76 Cb 0.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1h69 h LYS 76 CO -0.00 0.94 -0.34 0.39 -0.57 0.00 0.00 179.45 179.87 1h69 n GLU 77 N -4.10 0.64 -1.74 3.15 1.02 0.03 -4.96 120.64 114.67 1h69 n GLU 77 Ca -0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 1h69 n GLU 77 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1h69 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h69 n GLY 78 N 1.39 0.66 1.26 0.62 0.00 -0.08 -5.00 105.19 104.04 1h69 n GLY 78 Ca 0.10 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.47 1h69 n GLY 78 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h69 n HIS 79 N -3.36 1.25 -2.59 1.61 8.25 0.95 -4.95 115.22 116.37 1h69 n HIS 79 Ca 0.00 -0.70 -0.34 0.00 -0.26 0.00 0.00 57.72 56.43 1h69 n HIS 79 Cb 0.42 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 1h69 n HIS 79 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1h69 s LEU 80 N -2.18 3.84 0.52 2.41 1.43 -1.24 0.61 118.68 124.08 1h69 s LEU 80 Ca 0.44 1.83 -0.21 0.00 -1.03 0.00 0.00 54.13 55.16 1h69 s LEU 80 Cb 0.31 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.93 1h69 s LEU 80 CO 0.17 -0.67 1.22 -0.94 0.23 0.00 0.00 176.35 176.36 1h69 s SER 81 N -2.14 5.70 0.36 2.29 1.04 -0.25 -4.74 113.70 115.96 1h69 s SER 81 Ca 0.65 2.43 0.18 0.00 0.48 0.00 0.00 55.95 59.69 1h69 s SER 81 Cb -0.14 -2.61 1.21 0.00 0.10 0.00 0.00 66.02 64.58 1h69 s SER 81 CO 0.19 -1.25 1.63 1.55 0.98 0.00 0.00 173.24 176.34 1h69 h PRO 82 N 1.59 0.18 -0.45 4.02 0.13 -1.94 -1.01 132.00 134.53 1h69 h PRO 82 Ca -0.50 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 1h69 h PRO 82 Cb 1.27 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1h69 h PRO 82 CO 0.58 0.12 -0.28 0.38 -0.23 0.00 0.00 178.00 178.57 1h69 h ASP 83 N 0.18 1.02 -0.05 1.44 2.03 -2.00 -1.24 116.42 117.81 1h69 h ASP 83 Ca 0.79 -0.42 -0.01 0.00 -0.73 0.00 0.00 57.03 56.66 1h69 h ASP 83 Cb 1.95 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 40.16 1h69 h ASP 83 CO -0.66 1.22 0.00 0.40 -1.03 0.00 0.00 179.24 179.17 1h69 h ILE 84 N 0.82 1.24 -0.48 4.15 2.04 -1.58 -2.63 117.51 121.07 1h69 h ILE 84 Ca 0.09 -0.71 0.09 0.00 1.00 0.00 0.00 64.86 65.33 1h69 h ILE 84 Cb 0.86 1.63 -0.08 0.00 -0.74 0.00 0.00 36.82 38.50 1h69 h ILE 84 CO 0.08 0.19 0.03 0.58 0.00 0.00 0.00 178.15 179.03 1h69 h VAL 85 N -0.20 0.66 -0.69 1.67 2.07 -1.30 0.23 116.25 118.69 1h69 h VAL 85 Ca 0.01 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1h69 h VAL 85 Cb 0.31 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1h69 h VAL 85 CO 0.00 0.03 0.46 0.00 0.02 0.00 0.00 177.57 178.07 1h69 h ALA 86 N 1.41 1.57 -0.00 1.67 0.00 -1.15 -0.83 119.26 121.93 1h69 h ALA 86 Ca 0.24 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1h69 h ALA 86 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1h69 h ALA 86 CO -0.37 0.37 -0.88 0.93 0.00 0.00 0.00 179.25 179.29 1h69 h GLU 87 N 0.87 0.25 -0.03 0.00 4.39 -0.90 -2.47 114.58 116.69 1h69 h GLU 87 Ca 0.27 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1h69 h GLU 87 Cb 0.00 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1h69 h GLU 87 CO -0.07 0.98 -0.39 1.96 -1.16 0.00 0.00 179.01 180.34 1h69 h GLN 88 N 0.14 0.06 -0.21 2.33 4.20 -0.39 -1.34 115.11 119.91 1h69 h GLN 88 Ca -0.05 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.46 1h69 h GLN 88 Cb 1.51 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.28 1h69 h GLN 88 CO 0.14 0.44 -0.58 0.87 -0.67 0.00 0.00 178.83 179.03 1h69 h LYS 89 N 0.05 0.66 -0.33 1.46 1.57 -1.01 -1.38 116.57 117.59 1h69 h LYS 89 Ca 0.00 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1h69 h LYS 89 Cb 0.71 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1h69 h LYS 89 CO 0.05 1.05 0.07 0.87 -0.57 0.00 0.00 179.45 180.93 1h69 h LYS 90 N 0.50 0.54 0.05 3.15 1.57 -1.09 -2.65 116.57 118.64 1h69 h LYS 90 Ca 0.00 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1h69 h LYS 90 Cb 1.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1h69 h LYS 90 CO 0.12 0.60 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.51 1h69 h LEU 91 N 0.38 -0.06 -1.73 2.94 3.38 -1.20 -1.54 115.31 117.48 1h69 h LEU 91 Ca 0.10 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.13 1h69 h LEU 91 Cb 0.31 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1h69 h LEU 91 CO 0.00 0.06 0.45 -0.08 0.09 0.00 0.00 178.44 178.96 1h69 h GLU 92 N -0.17 0.27 0.03 1.13 4.81 -1.23 -2.68 114.58 116.74 1h69 h GLU 92 Ca -0.01 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1h69 h GLU 92 Cb 0.15 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1h69 h GLU 92 CO 0.01 0.18 -0.24 0.00 -0.73 0.00 0.00 179.01 178.22 1h69 h ALA 93 N 1.68 -0.01 -2.26 2.92 0.00 -1.26 -3.47 119.26 116.86 1h69 h ALA 93 Ca 0.32 -0.58 -0.59 0.00 0.00 0.00 0.00 54.91 54.07 1h69 h ALA 93 Cb 0.87 0.05 0.11 0.00 0.00 0.00 0.00 17.79 18.81 1h69 h ALA 93 CO -0.07 0.12 0.37 0.00 0.00 0.00 0.00 179.25 179.66 1h69 n ALA 94 N -2.65 0.62 -0.08 0.00 0.00 -0.60 -4.82 120.51 112.98 1h69 n ALA 94 Ca -0.12 0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.52 1h69 n ALA 94 Cb 0.57 -2.16 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 1h69 n ALA 94 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1h69 n ASP 95 N 1.16 1.98 -4.29 0.00 8.00 0.12 -4.90 116.55 118.62 1h69 n ASP 95 Ca 0.08 0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 1h69 n ASP 95 Cb 0.33 -0.55 -0.16 0.00 -0.02 0.00 0.00 41.12 40.73 1h69 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1h69 s LEU 96 N -6.69 2.18 -0.14 0.64 2.96 -0.89 -1.16 118.68 115.58 1h69 s LEU 96 Ca -0.29 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.15 1h69 s LEU 96 Cb 0.08 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.38 1h69 s LEU 96 CO 0.67 0.24 -0.14 -0.69 -1.32 0.00 0.00 176.35 175.11 1h69 s VAL 97 N -0.14 1.54 -0.20 1.68 1.01 -0.09 -0.68 120.40 123.52 1h69 s VAL 97 Ca -0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1h69 s VAL 97 Cb -0.14 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1h69 s VAL 97 CO 0.04 0.45 0.04 -0.63 0.00 0.00 0.00 175.10 175.00 1h69 s ILE 98 N 1.37 4.41 -0.38 2.22 1.01 0.82 -1.62 121.20 129.04 1h69 s ILE 98 Ca 0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 1h69 s ILE 98 Cb -0.13 -3.00 0.05 0.00 0.01 0.00 0.00 42.46 39.38 1h69 s ILE 98 CO -0.08 0.42 0.21 -0.36 0.00 0.00 0.00 174.94 175.12 1h69 s PHE 99 N 0.82 3.28 -0.26 3.97 0.08 -0.22 0.02 117.98 125.68 1h69 s PHE 99 Ca 0.02 -1.29 -0.08 0.00 0.12 0.00 0.00 56.93 55.70 1h69 s PHE 99 Cb -0.14 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.67 1h69 s PHE 99 CO 0.02 -0.75 0.10 -1.14 -0.10 0.00 0.00 175.22 173.36 1h69 s GLN 100 N 1.47 3.74 -0.02 0.44 2.00 -0.01 -1.01 119.66 126.26 1h69 s GLN 100 Ca 0.02 -0.43 -0.29 0.00 -2.00 0.00 0.00 55.36 52.66 1h69 s GLN 100 Cb -0.21 -3.42 0.10 0.00 0.80 0.00 0.00 33.01 30.29 1h69 s GLN 100 CO 0.04 -0.18 0.89 -0.59 -0.50 0.00 0.00 175.29 174.95 1h69 s PHE 101 N 1.64 -0.36 0.15 1.67 -0.71 -0.92 -1.75 117.98 117.69 1h69 s PHE 101 Ca 0.06 0.29 -0.18 0.00 -1.04 0.00 0.00 56.93 56.07 1h69 s PHE 101 Cb -0.15 0.53 -0.07 0.00 -1.21 0.00 0.00 43.02 42.11 1h69 s PHE 101 CO 0.06 -0.53 0.61 -1.25 -1.34 0.00 0.00 175.22 172.77 1h69 s PRO 102 N -2.85 4.15 0.09 1.99 0.04 -1.26 -2.51 135.00 134.65 1h69 s PRO 102 Ca 0.04 0.70 -0.31 0.00 0.04 0.00 0.00 61.00 61.47 1h69 s PRO 102 Cb -0.01 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.43 1h69 s PRO 102 CO -0.07 0.51 1.50 -1.17 0.04 0.00 0.00 177.00 177.80 1h69 s LEU 103 N -1.68 4.36 -0.15 -3.56 2.96 0.19 -4.52 118.68 116.28 1h69 s LEU 103 Ca 0.36 2.39 -0.01 0.00 -0.22 0.00 0.00 54.13 56.66 1h69 s LEU 103 Cb -0.17 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 42.98 1h69 s LEU 103 CO 0.20 -0.76 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.32 1h69 s GLN 104 N 1.74 1.36 -1.31 1.98 -0.21 -0.78 -4.80 119.66 117.64 1h69 s GLN 104 Ca 0.68 -0.42 -0.04 0.00 0.02 0.00 0.00 55.36 55.59 1h69 s GLN 104 Cb -0.38 -1.87 -0.00 0.00 1.00 0.00 0.00 33.01 31.76 1h69 s GLN 104 CO 0.30 -0.40 0.61 0.91 -2.12 0.00 0.00 175.29 174.59 1h69 n TRP 105 N 4.91 -1.82 -3.41 0.91 7.02 -1.26 -2.06 117.44 121.73 1h69 n TRP 105 Ca -0.12 0.73 -0.25 0.00 -1.02 0.00 0.00 57.50 56.85 1h69 n TRP 105 Cb 0.48 -3.95 0.01 0.00 -2.42 0.00 0.00 31.31 25.43 1h69 n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1h69 n PHE 106 N -4.28 -1.90 -2.68 -5.99 3.01 -1.26 -4.87 117.46 99.49 1h69 n PHE 106 Ca -0.26 0.56 0.00 0.00 1.01 0.00 0.00 57.45 58.76 1h69 n PHE 106 Cb 0.66 -3.40 0.00 0.00 -0.01 0.00 0.00 39.48 36.74 1h69 n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h69 n GLY 107 N -1.33 2.12 3.87 1.37 0.00 -0.87 -4.94 105.19 105.40 1h69 n GLY 107 Ca -0.02 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 1h69 n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h69 s VAL 108 N -2.79 4.80 0.66 1.61 -7.23 -1.26 -1.87 120.40 114.32 1h69 s VAL 108 Ca 0.00 0.61 -0.18 0.00 -1.81 0.00 0.00 61.98 60.61 1h69 s VAL 108 Cb 0.00 -3.69 -0.00 0.00 0.56 0.00 0.00 36.38 33.24 1h69 s VAL 108 CO 0.00 -0.38 1.29 -2.84 -0.31 0.00 0.00 175.10 172.86 1h69 s PRO 109 N -3.53 2.47 0.28 4.82 0.02 -1.26 -4.70 135.00 133.10 1h69 s PRO 109 Ca 0.51 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.59 1h69 s PRO 109 Cb -0.10 -1.84 0.64 0.00 0.02 0.00 0.00 34.50 33.22 1h69 s PRO 109 CO 0.27 -1.66 1.70 0.00 -0.33 0.00 0.00 177.00 176.98 1h69 h ALA 110 N 0.43 1.29 -0.25 -1.55 0.00 -1.96 -0.23 119.26 117.00 1h69 h ALA 110 Ca -0.51 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1h69 h ALA 110 Cb 1.34 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1h69 h ALA 110 CO 0.53 -0.31 0.12 0.97 0.00 0.00 0.00 179.25 180.56 1h69 h ILE 111 N 0.39 1.09 0.07 0.00 2.10 -1.95 -0.62 117.51 118.60 1h69 h ILE 111 Ca 0.51 -0.26 -0.27 0.00 1.08 0.00 0.00 64.86 65.93 1h69 h ILE 111 Cb 0.92 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.41 1h69 h ILE 111 CO -0.51 0.10 -1.31 0.25 -1.08 0.00 0.00 178.15 175.61 1h69 h LEU 112 N 0.35 0.24 -0.64 2.19 5.85 -1.43 -2.43 115.31 119.44 1h69 h LEU 112 Ca 0.09 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1h69 h LEU 112 Cb 0.04 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1h69 h LEU 112 CO -0.01 1.24 0.33 0.50 -0.34 0.00 0.00 178.44 180.16 1h69 h LYS 113 N 0.04 0.91 -0.16 1.25 1.63 -0.68 -1.63 116.57 117.94 1h69 h LYS 113 Ca -0.15 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 59.46 1h69 h LYS 113 Cb 1.93 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 33.38 1h69 h LYS 113 CO 0.16 0.71 -0.23 0.78 -3.45 0.00 0.00 179.45 177.41 1h69 h GLY 114 N 0.88 0.31 0.99 5.01 0.00 -1.16 -1.61 103.07 107.49 1h69 h GLY 114 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1h69 h GLY 114 CO -0.03 0.21 0.13 -0.25 0.00 0.00 0.00 176.54 176.60 1h69 h TRP 115 N 0.26 0.26 -0.39 5.60 7.01 -0.80 -0.78 115.95 127.10 1h69 h TRP 115 Ca 0.04 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1h69 h TRP 115 Cb 0.56 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 1h69 h TRP 115 CO 0.01 0.17 0.25 0.74 -2.79 0.00 0.00 178.44 176.83 1h69 h PHE 116 N 0.26 0.50 -0.91 2.65 0.04 -0.95 -0.08 116.94 118.44 1h69 h PHE 116 Ca 0.07 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1h69 h PHE 116 Cb -0.02 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 1h69 h PHE 116 CO -0.06 0.32 0.55 0.93 -0.60 0.00 0.00 178.31 179.45 1h69 h GLU 117 N 0.52 1.24 0.00 1.51 5.08 -1.01 0.26 114.58 122.18 1h69 h GLU 117 Ca 0.14 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.16 1h69 h GLU 117 Cb -0.04 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 28.91 1h69 h GLU 117 CO -0.03 0.86 -1.36 0.00 -1.00 0.00 0.00 179.01 177.49 1h69 h ARG 118 N 1.26 0.00 0.05 2.33 3.08 -1.00 -3.40 114.38 116.70 1h69 h ARG 118 Ca 0.33 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.07 1h69 h ARG 118 Cb -0.05 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1h69 h ARG 118 CO -0.06 0.56 -1.68 0.28 -1.07 0.00 0.00 179.97 178.00 1h69 n VAL 119 N -3.09 1.64 -1.52 2.04 0.31 -0.06 -4.54 118.33 113.11 1h69 n VAL 119 Ca -0.09 -0.33 -0.42 0.00 -0.01 0.00 0.00 64.34 63.48 1h69 n VAL 119 Cb 0.95 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.97 1h69 n VAL 119 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1h69 n PHE 120 N -3.98 2.88 -2.94 3.52 3.01 0.07 -4.81 117.46 115.20 1h69 n PHE 120 Ca -0.34 -2.48 -0.33 0.00 1.01 0.00 0.00 57.45 55.31 1h69 n PHE 120 Cb 0.86 -2.22 -0.07 0.00 -0.01 0.00 0.00 39.48 38.05 1h69 n PHE 120 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1h69 s ILE 121 N 4.07 4.49 0.61 4.37 -1.09 -1.26 -4.80 121.20 127.60 1h69 s ILE 121 Ca 0.52 1.30 -0.19 0.00 -2.23 0.00 0.00 60.65 60.05 1h69 s ILE 121 Cb 0.14 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 1h69 s ILE 121 CO 0.00 -0.23 1.21 0.61 -1.23 0.00 0.00 174.94 175.30 1h69 n GLY 122 N -0.44 0.34 3.53 6.18 0.00 -1.26 -1.05 105.19 112.48 1h69 n GLY 122 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1h69 n GLY 122 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h69 n GLU 123 N -1.46 0.00 0.34 1.61 -0.58 0.18 -4.62 120.64 116.11 1h69 n GLU 123 Ca 0.14 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.74 1h69 n GLU 123 Cb 0.47 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.27 1h69 n GLU 123 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1h69 h PHE 124 N 0.00 -0.82 0.00 -0.32 3.57 -1.91 -3.38 116.94 114.08 1h69 h PHE 124 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1h69 h PHE 124 Cb 0.00 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1h69 h PHE 124 CO 0.00 -0.49 -1.47 0.00 -2.23 0.00 0.00 178.31 174.12 1h69 n ALA 125 N -2.68 2.68 -3.71 2.41 0.00 -0.22 -4.77 120.51 114.22 1h69 n ALA 125 Ca -0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 53.44 52.90 1h69 n ALA 125 Cb 0.36 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1h69 n ALA 125 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1h69 s TYR 126 N -3.43 -0.20 -0.10 0.00 1.13 -1.26 -4.22 117.35 109.28 1h69 s TYR 126 Ca -0.04 -0.10 -0.14 0.00 -1.41 0.00 0.00 57.07 55.38 1h69 s TYR 126 Cb 0.12 0.63 0.03 0.00 -1.10 0.00 0.00 41.96 41.64 1h69 s TYR 126 CO 0.85 -0.85 0.37 0.95 -2.51 0.00 0.00 175.55 174.36 1h69 s THR 127 N -3.38 0.02 -0.35 -3.49 -4.23 -1.26 0.49 115.64 103.44 1h69 s THR 127 Ca 0.10 -0.16 0.24 0.00 -1.18 0.00 0.00 61.69 60.70 1h69 s THR 127 Cb -0.02 -0.58 0.26 0.00 1.34 0.00 0.00 72.50 73.50 1h69 s THR 127 CO 0.00 -0.09 1.74 1.88 -0.54 0.00 0.00 174.62 177.61 1h69 h TYR 128 N 4.87 0.00 0.00 3.99 0.05 -2.00 -1.81 116.97 122.06 1h69 h TYR 128 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 1h69 h TYR 128 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1h69 h TYR 128 CO 0.44 0.00 -0.75 0.00 -1.05 0.00 0.00 178.16 176.81 1h69 h ALA 129 N 2.18 0.57 -1.17 3.88 0.00 -1.96 -3.38 119.26 119.39 1h69 h ALA 129 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 1h69 h ALA 129 Cb 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.68 1h69 h ALA 129 CO 0.00 0.00 -1.08 0.00 0.00 0.00 0.00 179.25 178.17 1h69 n ALA 130 N -2.00 3.78 -0.92 0.00 0.00 -0.71 -5.05 120.51 115.61 1h69 n ALA 130 Ca 0.02 -3.44 -0.29 0.00 0.00 0.00 0.00 53.44 49.73 1h69 n ALA 130 Cb 0.49 -0.84 0.19 0.00 0.00 0.00 0.00 19.45 19.29 1h69 n ALA 130 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1h69 s MET 131 N -3.20 0.33 0.00 0.00 1.00 -1.06 -0.94 119.30 115.43 1h69 s MET 131 Ca 0.33 0.85 0.00 0.00 0.00 0.00 0.00 55.69 56.87 1h69 s MET 131 Cb 0.44 -1.70 0.00 0.00 0.00 0.00 0.00 34.83 33.57 1h69 s MET 131 CO -0.02 -2.88 0.00 0.66 0.00 0.00 0.00 175.02 172.78 1h69 n TYR 132 N -4.33 0.00 -0.31 -0.03 4.01 -0.16 -1.89 117.16 114.46 1h69 n TYR 132 Ca 0.06 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.93 1h69 n TYR 132 Cb 0.55 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.83 1h69 n TYR 132 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1h69 n ASP 133 N 3.40 -0.11 -0.99 7.72 9.92 -1.26 -0.24 116.55 134.99 1h69 n ASP 133 Ca 0.00 1.50 0.08 0.00 -0.53 0.00 0.00 54.79 55.83 1h69 n ASP 133 Cb 0.00 -0.54 0.23 0.00 -0.64 0.00 0.00 41.12 40.17 1h69 n ASP 133 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1h69 n LYS 134 N -5.29 2.34 -1.20 -1.24 5.02 -0.79 -4.76 118.16 112.24 1h69 n LYS 134 Ca 0.20 -1.83 -0.32 0.00 -2.02 0.00 0.00 58.31 54.34 1h69 n LYS 134 Cb 0.67 -1.47 0.11 0.00 -0.02 0.00 0.00 35.03 34.32 1h69 n LYS 134 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h69 s GLY 135 N -0.94 1.97 0.56 0.72 0.00 0.67 -4.71 107.32 105.58 1h69 s GLY 135 Ca 0.34 0.61 0.31 0.00 0.00 0.00 0.00 44.72 45.98 1h69 s GLY 135 CO 0.21 1.00 1.85 -2.55 0.00 0.00 0.00 173.10 173.61 1h69 h PRO 136 N -0.94 0.00 -0.63 2.90 0.11 -1.64 -1.91 132.00 129.88 1h69 h PRO 136 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h69 h PRO 136 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1h69 h PRO 136 CO 0.48 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.46 1h69 n PHE 137 N -4.04 1.21 0.16 0.65 3.72 -0.02 -4.56 117.46 114.58 1h69 n PHE 137 Ca 0.17 -0.49 0.19 0.00 -0.05 0.00 0.00 57.45 57.26 1h69 n PHE 137 Cb 0.95 -0.19 0.75 0.00 -0.94 0.00 0.00 39.48 40.05 1h69 n PHE 137 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1h69 h ARG 138 N 3.48 0.00 -0.57 -1.08 0.11 -1.20 0.40 114.38 115.53 1h69 h ARG 138 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1h69 h ARG 138 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1h69 h ARG 138 CO 0.17 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.67 1h69 n SER 139 N -3.45 3.05 -4.64 0.08 7.64 -1.26 -4.69 113.62 110.35 1h69 n SER 139 Ca 0.05 -2.02 -0.25 0.00 1.01 0.00 0.00 58.87 57.65 1h69 n SER 139 Cb 0.57 -0.38 -0.09 0.00 -1.01 0.00 0.00 64.21 63.30 1h69 n SER 139 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h69 s LYS 140 N -1.28 2.06 0.01 1.43 1.02 0.14 -4.97 119.74 118.15 1h69 s LYS 140 Ca 0.38 -1.82 0.04 0.00 0.02 0.00 0.00 55.97 54.58 1h69 s LYS 140 Cb 0.20 -1.88 -0.02 0.00 -0.52 0.00 0.00 37.83 35.61 1h69 s LYS 140 CO 0.25 0.08 -0.13 0.15 -0.92 0.00 0.00 175.35 174.77 1h69 s LYS 141 N -3.73 0.98 0.08 1.68 1.02 -0.31 -2.55 119.74 116.90 1h69 s LYS 141 Ca 0.35 -0.59 0.06 0.00 0.02 0.00 0.00 55.97 55.81 1h69 s LYS 141 Cb 0.02 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.34 1h69 s LYS 141 CO 0.19 0.25 -0.16 0.00 -0.92 0.00 0.00 175.35 174.72 1h69 s ALA 142 N -0.56 1.33 -0.01 5.17 0.00 -0.40 -0.92 121.76 126.38 1h69 s ALA 142 Ca 0.03 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 1h69 s ALA 142 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1h69 s ALA 142 CO 0.00 0.22 0.04 0.08 0.00 0.00 0.00 175.76 176.11 1h69 s VAL 143 N -1.21 0.03 -0.23 0.00 1.01 -0.64 -1.42 120.40 117.95 1h69 s VAL 143 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1h69 s VAL 143 Cb -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 1h69 s VAL 143 CO 0.03 -0.15 0.06 -0.76 0.00 0.00 0.00 175.10 174.27 1h69 s LEU 144 N -0.45 3.45 -0.36 3.92 1.43 -1.26 -1.05 118.68 124.36 1h69 s LEU 144 Ca -0.05 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1h69 s LEU 144 Cb -0.03 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.34 1h69 s LEU 144 CO -0.00 0.01 0.13 -0.55 0.23 0.00 0.00 176.35 176.17 1h69 s SER 145 N 1.34 5.27 0.05 2.29 0.15 -0.18 -0.28 113.70 122.33 1h69 s SER 145 Ca 0.05 -1.41 0.07 0.00 0.70 0.00 0.00 55.95 55.36 1h69 s SER 145 Cb -0.15 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1h69 s SER 145 CO 0.03 -0.39 -0.18 -0.63 1.20 0.00 0.00 173.24 173.27 1h69 s ILE 146 N 1.32 2.81 0.05 6.45 1.01 0.24 -2.16 121.20 130.93 1h69 s ILE 146 Ca 0.00 -1.20 0.08 0.00 0.00 0.00 0.00 60.65 59.53 1h69 s ILE 146 Cb -0.21 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1h69 s ILE 146 CO 0.00 0.32 -0.24 0.42 0.00 0.00 0.00 174.94 175.45 1h69 s THR 147 N -0.94 1.91 0.19 2.92 -4.23 -1.04 -1.01 115.64 113.44 1h69 s THR 147 Ca 0.15 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1h69 s THR 147 Cb -0.10 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.04 1h69 s THR 147 CO 0.06 0.27 0.01 0.42 -0.54 0.00 0.00 174.62 174.84 1h69 s THR 148 N -0.82 0.73 -0.09 3.99 -4.23 -1.01 0.57 115.64 114.77 1h69 s THR 148 Ca 0.10 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.69 1h69 s THR 148 Cb -0.09 -2.23 -0.24 0.00 1.34 0.00 0.00 72.50 71.28 1h69 s THR 148 CO 0.02 -0.39 0.47 0.61 -0.54 0.00 0.00 174.62 174.79 1h69 n GLY 149 N -0.30 -0.85 3.83 3.99 0.00 -1.26 -2.02 105.19 108.58 1h69 n GLY 149 Ca -0.05 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1h69 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h69 s GLY 150 N -5.35 2.20 0.72 -0.02 0.00 -1.26 -4.10 107.32 99.51 1h69 s GLY 150 Ca -0.11 0.28 -0.11 0.00 0.00 0.00 0.00 44.72 44.77 1h69 s GLY 150 CO 0.80 0.56 1.07 -1.35 0.00 0.00 0.00 173.10 174.18 1h69 s SER 151 N -2.71 5.18 0.53 1.64 1.04 -1.26 -1.45 113.70 116.66 1h69 s SER 151 Ca 0.60 1.54 0.22 0.00 0.48 0.00 0.00 55.95 58.79 1h69 s SER 151 Cb -0.10 -2.38 1.43 0.00 0.10 0.00 0.00 66.02 65.07 1h69 s SER 151 CO 0.24 -1.56 2.14 1.23 0.98 0.00 0.00 173.24 176.27 1h69 h GLY 152 N -0.80 0.00 1.81 7.32 0.00 -1.97 -2.32 103.07 107.11 1h69 h GLY 152 Ca -0.45 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 1h69 h GLY 152 CO 0.57 0.00 -0.62 1.48 0.00 0.00 0.00 176.54 177.98 1h69 h SER 153 N 0.00 0.22 0.33 0.19 4.64 -1.97 -2.32 113.55 114.64 1h69 h SER 153 Ca -0.00 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1h69 h SER 153 Cb 0.13 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1h69 h SER 153 CO 0.01 0.79 -0.01 0.24 -0.87 0.00 0.00 176.83 176.98 1h69 h MET 154 N 0.14 0.00 -0.48 4.77 2.07 -1.79 -1.92 114.93 117.73 1h69 h MET 154 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1h69 h MET 154 Cb 1.12 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.85 1h69 h MET 154 CO 0.09 0.01 0.00 0.66 1.07 0.00 0.00 176.91 178.75 1h69 n TYR 155 N -3.18 1.07 -2.45 -0.22 4.01 -0.89 -1.87 117.16 113.64 1h69 n TYR 155 Ca -0.02 -0.64 -0.23 0.00 -0.16 0.00 0.00 57.90 56.84 1h69 n TYR 155 Cb 0.16 -0.20 0.06 0.00 -0.31 0.00 0.00 39.34 39.04 1h69 n TYR 155 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1h69 s SER 156 N -1.18 5.00 0.56 7.72 1.04 -0.72 -2.22 113.70 123.90 1h69 s SER 156 Ca 0.41 0.16 0.29 0.00 0.48 0.00 0.00 55.95 57.29 1h69 s SER 156 Cb 0.28 -0.90 1.47 0.00 0.10 0.00 0.00 66.02 66.96 1h69 s SER 156 CO 0.19 -1.40 1.93 -0.07 0.98 0.00 0.00 173.24 174.87 1h69 h LEU 157 N -0.27 0.00 -2.44 2.42 3.38 -1.87 0.94 115.31 117.47 1h69 h LEU 157 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1h69 h LEU 157 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1h69 h LEU 157 CO 0.55 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1h69 n GLN 158 N -4.03 2.32 -2.26 1.13 3.00 -1.26 -4.73 117.38 111.55 1h69 n GLN 158 Ca 0.11 -2.05 -0.31 0.00 -0.01 0.00 0.00 57.00 54.74 1h69 n GLN 158 Cb 0.71 -1.37 -0.02 0.00 0.00 0.00 0.00 30.24 29.56 1h69 n GLN 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1h69 s GLY 159 N -1.13 1.91 0.40 1.08 0.00 0.32 -4.98 107.32 104.92 1h69 s GLY 159 Ca 0.30 0.04 0.08 0.00 0.00 0.00 0.00 44.72 45.14 1h69 s GLY 159 CO 0.23 0.31 1.99 0.16 0.00 0.00 0.00 173.10 175.79 1h69 h ILE 160 N 0.50 1.13 0.00 0.90 3.07 -1.80 -2.13 117.51 119.18 1h69 h ILE 160 Ca -0.46 -0.44 -0.03 0.00 1.55 0.00 0.00 64.86 65.48 1h69 h ILE 160 Cb 1.19 0.80 -0.00 0.00 -0.27 0.00 0.00 36.82 38.53 1h69 h ILE 160 CO 0.62 0.16 -0.15 0.45 -1.05 0.00 0.00 178.15 178.18 1h69 h HIS 161 N 0.43 0.00 0.00 0.16 3.86 -1.72 -3.50 115.15 114.38 1h69 h HIS 161 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1h69 h HIS 161 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1h69 h HIS 161 CO 0.00 0.15 0.00 0.41 0.86 0.00 0.00 177.93 179.36 1h69 n GLY 162 N 0.72 -3.71 3.65 2.45 0.00 -0.80 -4.93 105.19 102.55 1h69 n GLY 162 Ca 0.02 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1h69 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h69 s ASP 163 N -0.66 6.23 0.62 1.61 2.15 -1.25 -4.08 116.67 121.30 1h69 s ASP 163 Ca 0.00 2.44 0.35 0.00 0.43 0.00 0.00 52.55 55.77 1h69 s ASP 163 Cb 0.00 -2.53 2.02 0.00 -0.30 0.00 0.00 42.92 42.12 1h69 s ASP 163 CO 0.00 -1.26 2.28 -0.03 -0.17 0.00 0.00 175.17 175.99 1h69 h MET 164 N 11.55 0.00 0.00 4.34 1.85 -1.76 -1.15 114.93 129.75 1h69 h MET 164 Ca -0.47 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 58.58 1h69 h MET 164 Cb 1.23 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.26 1h69 h MET 164 CO 0.95 0.00 -0.22 -0.91 -0.40 0.00 0.00 176.91 176.33 1h69 h ASN 165 N 0.00 0.00 -0.08 1.39 2.35 -1.89 -1.15 115.58 116.20 1h69 h ASN 165 Ca 0.01 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 1h69 h ASN 165 Cb 0.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.44 1h69 h ASN 165 CO -0.00 0.22 -0.74 0.58 -1.65 0.00 0.00 177.43 175.84 1h69 h VAL 166 N 0.00 1.33 -0.59 2.81 2.07 -1.60 -2.77 116.25 117.50 1h69 h VAL 166 Ca -0.00 -2.02 -0.05 0.00 0.82 0.00 0.00 66.70 65.45 1h69 h VAL 166 Cb 0.45 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1h69 h VAL 166 CO 0.03 0.62 0.19 0.40 0.02 0.00 0.00 177.57 178.82 1h69 h ILE 167 N 0.28 1.24 0.00 4.57 2.04 -1.46 -2.97 117.51 121.21 1h69 h ILE 167 Ca -0.07 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 1h69 h ILE 167 Cb 1.39 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1h69 h ILE 167 CO 0.15 0.31 -0.30 -0.07 0.00 0.00 0.00 178.15 178.24 1h69 h LEU 168 N 0.83 0.00 -0.08 1.44 3.38 -1.28 -3.36 115.31 116.24 1h69 h LEU 168 Ca 0.19 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1h69 h LEU 168 Cb 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1h69 h LEU 168 CO -0.01 0.30 -0.49 -0.25 0.09 0.00 0.00 178.44 178.08 1h69 h TRP 169 N 0.00 -1.44 -0.99 1.13 2.91 -1.32 -1.13 115.95 115.11 1h69 h TRP 169 Ca -0.00 0.05 0.22 0.00 1.13 0.00 0.00 58.89 60.29 1h69 h TRP 169 Cb 0.84 0.64 -0.10 0.00 -0.51 0.00 0.00 29.16 30.04 1h69 h TRP 169 CO 0.00 -0.53 0.62 -1.35 -1.03 0.00 0.00 178.44 176.15 1h69 h PRO 170 N -0.58 0.56 0.05 2.65 0.11 -1.74 0.22 132.00 133.28 1h69 h PRO 170 Ca 0.04 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1h69 h PRO 170 Cb 0.68 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1h69 h PRO 170 CO -0.39 0.37 -0.03 0.82 -0.21 0.00 0.00 178.00 178.56 1h69 h ILE 171 N 0.58 0.48 -0.60 4.15 2.04 -1.71 -2.29 117.51 120.15 1h69 h ILE 171 Ca 0.56 -1.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 1h69 h ILE 171 Cb 1.14 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1h69 h ILE 171 CO -0.32 0.16 0.04 1.56 0.00 0.00 0.00 178.15 179.58 1h69 h GLN 172 N -1.00 1.02 0.00 2.37 4.20 -1.06 -1.34 115.11 119.30 1h69 h GLN 172 Ca -0.01 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 1h69 h GLN 172 Cb 0.31 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1h69 h GLN 172 CO 0.01 0.98 -0.46 1.03 -0.67 0.00 0.00 178.83 179.72 1h69 h SER 173 N 0.94 0.00 -0.63 1.46 0.87 -0.74 -0.27 113.55 115.18 1h69 h SER 173 Ca 0.18 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1h69 h SER 173 Cb 0.49 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 1h69 h SER 173 CO 0.02 0.79 0.42 1.23 -0.53 0.00 0.00 176.83 178.76 1h69 h GLY 174 N -1.00 0.84 0.00 5.77 0.00 -1.41 -1.62 103.07 105.64 1h69 h GLY 174 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1h69 h GLY 174 CO -0.03 0.24 -0.83 1.39 0.00 0.00 0.00 176.54 177.31 1h69 n ILE 175 N -4.47 1.45 0.21 2.60 5.41 -0.58 -4.46 119.36 119.52 1h69 n ILE 175 Ca 0.08 0.19 -0.09 0.00 1.00 0.00 0.00 62.75 63.93 1h69 n ILE 175 Cb 0.16 -2.22 -0.04 0.00 -0.71 0.00 0.00 39.64 36.82 1h69 n ILE 175 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1h69 h LEU 176 N -0.83 -0.48 -1.91 1.39 3.38 -1.46 -3.26 115.31 112.14 1h69 h LEU 176 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1h69 h LEU 176 Cb 0.83 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1h69 h LEU 176 CO 0.00 -0.25 -0.09 -0.74 0.09 0.00 0.00 178.44 177.45 1h69 h HIS 177 N -0.75 0.00 -0.34 1.13 2.76 -1.01 -2.42 115.15 114.52 1h69 h HIS 177 Ca -0.06 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 1h69 h HIS 177 Cb 0.43 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 1h69 h HIS 177 CO 0.06 0.09 0.06 0.35 -1.30 0.00 0.00 177.93 177.19 1h69 h PHE 178 N 0.00 0.51 -0.19 5.26 3.04 -1.37 -1.77 116.94 122.42 1h69 h PHE 178 Ca -0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1h69 h PHE 178 Cb 0.36 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.72 1h69 h PHE 178 CO 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 178.31 176.75 1h69 n GLY 180 N 1.01 2.32 3.60 0.00 0.00 -0.66 -0.84 105.19 110.60 1h69 n GLY 180 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1h69 n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h69 n PHE 181 N -1.45 1.14 -3.42 1.61 3.72 -1.11 -2.87 117.46 115.07 1h69 n PHE 181 Ca 0.00 0.61 -0.38 0.00 -0.05 0.00 0.00 57.45 57.63 1h69 n PHE 181 Cb 0.00 -2.23 -0.08 0.00 -0.94 0.00 0.00 39.48 36.23 1h69 n PHE 181 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1h69 s GLN 182 N -1.82 4.15 -0.25 -1.08 -0.21 -1.06 -4.25 119.66 115.15 1h69 s GLN 182 Ca 0.61 0.12 -0.08 0.00 0.02 0.00 0.00 55.36 56.03 1h69 s GLN 182 Cb -0.61 -3.55 -0.04 0.00 1.00 0.00 0.00 33.01 29.82 1h69 s GLN 182 CO 0.58 -0.05 0.11 0.08 -2.12 0.00 0.00 175.29 173.89 1h69 s VAL 183 N 1.35 4.72 0.70 1.09 1.01 -1.26 -1.27 120.40 126.74 1h69 s VAL 183 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1h69 s VAL 183 Cb -0.15 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.08 1h69 s VAL 183 CO 0.08 0.34 1.03 -0.76 0.00 0.00 0.00 175.10 175.78 1h69 s LEU 184 N 1.40 2.85 0.22 3.92 1.43 -0.51 0.04 118.68 128.03 1h69 s LEU 184 Ca 0.06 0.62 -0.32 0.00 -1.03 0.00 0.00 54.13 53.46 1h69 s LEU 184 Cb -0.15 -3.29 -0.12 0.00 0.03 0.00 0.00 46.19 42.66 1h69 s LEU 184 CO 0.05 -1.53 1.71 -1.61 0.23 0.00 0.00 176.35 175.21 1h69 s GLU 185 N -5.26 4.12 0.37 1.70 2.02 -1.26 -4.69 118.70 115.70 1h69 s GLU 185 Ca 0.59 2.61 -0.27 0.00 0.02 0.00 0.00 54.97 57.92 1h69 s GLU 185 Cb -0.11 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 1h69 s GLU 185 CO 0.46 -0.74 1.26 -1.25 0.02 0.00 0.00 175.26 175.01 1h69 s PRO 186 N 1.02 4.15 -0.57 0.39 0.04 -1.26 -4.72 135.00 134.05 1h69 s PRO 186 Ca 0.74 2.08 -0.23 0.00 0.04 0.00 0.00 61.00 63.63 1h69 s PRO 186 Cb -0.50 -2.86 0.05 0.00 0.04 0.00 0.00 34.50 31.23 1h69 s PRO 186 CO 0.34 -0.32 0.91 -1.14 0.04 0.00 0.00 177.00 176.83 1h69 s GLN 187 N -2.06 3.27 -0.44 4.56 2.00 0.61 -4.99 119.66 122.60 1h69 s GLN 187 Ca 0.54 -0.44 -0.12 0.00 -2.00 0.00 0.00 55.36 53.34 1h69 s GLN 187 Cb -0.37 -4.09 0.08 0.00 0.80 0.00 0.00 33.01 29.43 1h69 s GLN 187 CO 0.47 -1.52 0.32 -0.51 -0.50 0.00 0.00 175.29 173.55 1h69 s LEU 188 N 3.83 5.38 -0.60 3.68 1.43 -1.26 -0.59 118.68 130.56 1h69 s LEU 188 Ca 0.27 -1.47 -0.09 0.00 -1.03 0.00 0.00 54.13 51.82 1h69 s LEU 188 Cb -0.14 -2.07 0.15 0.00 0.03 0.00 0.00 46.19 44.17 1h69 s LEU 188 CO 0.17 -0.59 0.47 0.42 0.23 0.00 0.00 176.35 177.04 1h69 s THR 189 N 1.51 4.41 0.61 5.49 -4.23 -0.18 -5.02 115.64 118.23 1h69 s THR 189 Ca 0.03 -2.26 -0.16 0.00 -1.18 0.00 0.00 61.69 58.12 1h69 s THR 189 Cb -0.24 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 1h69 s THR 189 CO 0.04 -0.86 1.09 -0.31 -0.54 0.00 0.00 174.62 174.03 1h69 s TYR 190 N 0.70 2.80 -1.01 3.99 2.02 -1.26 -2.41 117.35 122.18 1h69 s TYR 190 Ca 0.11 1.53 -0.13 0.00 -0.37 0.00 0.00 57.07 58.22 1h69 s TYR 190 Cb -0.21 -3.11 0.02 0.00 -0.40 0.00 0.00 41.96 38.26 1h69 s TYR 190 CO -0.03 -1.39 0.24 -1.13 -1.57 0.00 0.00 175.55 171.67 1h69 n SER 191 N -2.07 -1.09 0.19 2.29 3.41 -0.53 -4.81 113.62 111.01 1h69 n SER 191 Ca 0.10 -0.95 0.14 0.00 -0.26 0.00 0.00 58.87 57.90 1h69 n SER 191 Cb 0.52 -1.15 0.67 0.00 -0.26 0.00 0.00 64.21 63.99 1h69 n SER 191 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1h69 h ILE 192 N -1.07 0.00 -0.26 -1.33 6.09 -1.58 -0.63 117.51 118.72 1h69 h ILE 192 Ca -0.50 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 1h69 h ILE 192 Cb 1.02 0.79 0.00 0.00 0.47 0.00 0.00 36.82 39.10 1h69 h ILE 192 CO 0.45 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 176.14 1h69 n GLY 193 N -0.79 0.63 2.67 8.18 0.00 -1.26 -3.81 105.19 110.80 1h69 n GLY 193 Ca -0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 1h69 n GLY 193 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h69 n HIS 194 N 0.56 1.48 -4.29 1.61 8.25 -0.25 -5.06 115.22 117.52 1h69 n HIS 194 Ca 0.16 -2.57 -0.25 0.00 -0.26 0.00 0.00 57.72 54.80 1h69 n HIS 194 Cb 0.36 -0.30 -0.17 0.00 1.12 0.00 0.00 29.99 31.01 1h69 n HIS 194 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1h69 s THR 195 N -3.65 1.04 0.58 1.59 2.01 -1.24 -5.02 115.64 110.96 1h69 s THR 195 Ca 0.30 -0.37 -0.19 0.00 0.31 0.00 0.00 61.69 61.74 1h69 s THR 195 Cb 0.40 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 1h69 s THR 195 CO -0.01 0.35 0.95 -2.65 -0.69 0.00 0.00 174.62 172.57 1h69 n PRO 196 N 4.26 0.94 -0.30 4.92 -0.02 -1.26 -4.74 135.00 138.80 1h69 n PRO 196 Ca -0.19 0.36 0.19 0.00 -2.02 0.00 0.00 63.50 61.84 1h69 n PRO 196 Cb 0.51 -2.14 0.47 0.00 -0.02 0.00 0.00 33.50 32.32 1h69 n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h69 h ALA 197 N 0.60 2.11 0.06 3.55 0.00 -2.00 -1.11 119.26 122.46 1h69 h ALA 197 Ca -0.48 0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.24 1h69 h ALA 197 Cb 1.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1h69 h ALA 197 CO 0.51 -0.46 -1.06 0.38 0.00 0.00 0.00 179.25 178.63 1h69 h ASP 198 N 0.48 0.38 -0.39 0.00 2.03 -2.00 -3.09 116.42 113.82 1h69 h ASP 198 Ca 0.54 -0.35 -0.07 0.00 -0.73 0.00 0.00 57.03 56.42 1h69 h ASP 198 Cb 1.24 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.60 1h69 h ASP 198 CO -0.26 1.21 0.01 0.00 -1.03 0.00 0.00 179.24 179.17 1h69 h ALA 199 N 0.75 1.14 -0.28 4.15 0.00 -1.57 -2.49 119.26 120.96 1h69 h ALA 199 Ca -0.09 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1h69 h ALA 199 Cb 1.74 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1h69 h ALA 199 CO 0.17 0.55 -0.29 0.00 0.00 0.00 0.00 179.25 179.69 1h69 h ARG 200 N 0.72 0.58 -0.16 0.00 3.08 -1.42 -2.26 114.38 114.92 1h69 h ARG 200 Ca 0.14 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1h69 h ARG 200 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1h69 h ARG 200 CO 0.02 0.80 -0.20 0.82 -1.07 0.00 0.00 179.97 180.34 1h69 h ILE 201 N 0.50 1.22 -0.39 2.04 2.04 -1.38 -1.93 117.51 119.61 1h69 h ILE 201 Ca 0.06 -1.00 -0.16 0.00 1.00 0.00 0.00 64.86 64.76 1h69 h ILE 201 Cb 0.75 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1h69 h ILE 201 CO 0.06 0.31 -0.37 1.56 0.00 0.00 0.00 178.15 179.71 1h69 h GLN 202 N 0.25 0.94 -0.73 2.37 1.08 -1.05 -2.26 115.11 115.71 1h69 h GLN 202 Ca 0.04 -0.49 0.02 0.00 -1.45 0.00 0.00 58.65 56.78 1h69 h GLN 202 Cb 0.50 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 1h69 h GLN 202 CO 0.03 1.14 0.47 0.82 -0.95 0.00 0.00 178.83 180.34 1h69 h ILE 203 N 0.77 1.13 -0.15 2.54 2.04 -0.88 0.84 117.51 123.80 1h69 h ILE 203 Ca 0.07 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1h69 h ILE 203 Cb 0.97 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1h69 h ILE 203 CO 0.09 0.17 0.08 -0.07 0.00 0.00 0.00 178.15 178.42 1h69 h LEU 204 N 0.93 0.19 -0.74 1.44 3.38 -1.25 -0.86 115.31 118.40 1h69 h LEU 204 Ca 0.28 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1h69 h LEU 204 Cb -0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1h69 h LEU 204 CO -0.09 0.23 0.13 -0.33 0.09 0.00 0.00 178.44 178.47 1h69 h GLU 205 N 0.13 1.09 -0.48 1.13 4.39 -0.83 -1.69 114.58 118.32 1h69 h GLU 205 Ca 0.05 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.49 1h69 h GLU 205 Cb 0.09 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1h69 h GLU 205 CO -0.01 0.98 0.31 0.78 -1.16 0.00 0.00 179.01 179.91 1h69 h GLY 206 N 1.06 0.67 0.97 -3.84 0.00 0.94 0.31 103.07 103.19 1h69 h GLY 206 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1h69 h GLY 206 CO 0.01 0.24 -0.25 -0.25 0.00 0.00 0.00 176.54 176.28 1h69 h TRP 207 N 0.64 -0.65 -0.96 5.60 -0.00 -0.94 -1.83 115.95 117.81 1h69 h TRP 207 Ca 0.18 -0.01 0.15 0.00 -0.00 0.00 0.00 58.89 59.20 1h69 h TRP 207 Cb -0.06 0.22 -0.08 0.00 -0.00 0.00 0.00 29.16 29.24 1h69 h TRP 207 CO -0.05 -0.40 0.60 0.87 -0.00 0.00 0.00 178.44 179.47 1h69 h LYS 208 N -0.68 0.78 -0.73 2.65 1.57 -1.06 -0.57 116.57 118.52 1h69 h LYS 208 Ca -0.06 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1h69 h LYS 208 Cb 0.53 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1h69 h LYS 208 CO 0.10 0.52 0.23 -0.22 -0.57 0.00 0.00 179.45 179.50 1h69 h LYS 209 N 0.80 1.13 -0.37 3.15 3.11 -0.57 -3.00 116.57 120.83 1h69 h LYS 209 Ca 0.49 -0.24 -0.08 0.00 -2.81 0.00 0.00 60.65 58.01 1h69 h LYS 209 Cb 0.69 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1h69 h LYS 209 CO -0.26 0.96 -0.09 -0.09 -2.81 0.00 0.00 179.45 177.16 1h69 h ARG 210 N 1.09 0.71 0.00 1.90 2.43 -0.29 -2.95 114.38 117.27 1h69 h ARG 210 Ca 0.24 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1h69 h ARG 210 Cb 0.30 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1h69 h ARG 210 CO -0.01 0.87 0.03 -0.07 -1.51 0.00 0.00 179.97 179.28 1h69 h LEU 211 N 0.51 0.00 -1.59 3.80 3.38 -1.19 -1.17 115.31 119.06 1h69 h LEU 211 Ca 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1h69 h LEU 211 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1h69 h LEU 211 CO 0.04 0.00 -0.16 -0.33 0.09 0.00 0.00 178.44 178.08 1h69 h GLU 212 N 0.00 0.07 0.00 1.13 5.08 -1.43 -3.20 114.58 116.22 1h69 h GLU 212 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1h69 h GLU 212 Cb 0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1h69 h GLU 212 CO 0.00 0.23 -0.17 0.09 -1.00 0.00 0.00 179.01 178.16 1h69 n ASN 213 N -4.32 1.21 -0.34 1.42 3.02 -0.60 -4.86 115.26 110.79 1h69 n ASN 213 Ca -0.02 -2.32 0.18 0.00 -0.03 0.00 0.00 54.58 52.39 1h69 n ASN 213 Cb 0.24 -0.24 0.41 0.00 -0.61 0.00 0.00 39.78 39.58 1h69 n ASN 213 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1h69 h ILE 214 N 2.78 0.58 0.00 2.41 6.09 -1.25 -1.14 117.51 126.98 1h69 h ILE 214 Ca 0.00 -0.19 -0.02 0.00 -1.37 0.00 0.00 64.86 63.27 1h69 h ILE 214 Cb 1.07 -0.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.32 1h69 h ILE 214 CO 0.00 0.10 -0.11 -0.25 -3.07 0.00 0.00 178.15 174.82 1h69 h TRP 215 N 0.57 0.00 -0.19 2.19 2.91 -1.89 -2.49 115.95 117.05 1h69 h TRP 215 Ca 0.60 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.62 1h69 h TRP 215 Cb 1.22 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.87 1h69 h TRP 215 CO -0.00 0.11 0.00 -0.25 -1.03 0.00 0.00 178.44 177.27 1h69 n ASP 216 N -3.43 2.08 -4.77 2.65 8.00 -0.43 -4.95 116.55 115.70 1h69 n ASP 216 Ca -0.01 -1.76 -0.34 0.00 0.71 0.00 0.00 54.79 53.38 1h69 n ASP 216 Cb 0.28 -0.12 0.02 0.00 -0.02 0.00 0.00 41.12 41.28 1h69 n ASP 216 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1h69 s GLU 217 N -1.76 3.11 -0.19 -1.24 2.02 -0.94 -5.00 118.70 114.71 1h69 s GLU 217 Ca 0.34 1.51 -0.23 0.00 0.02 0.00 0.00 54.97 56.60 1h69 s GLU 217 Cb 0.19 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 1h69 s GLU 217 CO 0.28 -1.02 0.74 -0.08 0.02 0.00 0.00 175.26 175.20 1h69 s THR 218 N -2.03 4.94 0.91 3.63 -1.32 -1.26 -5.05 115.64 115.46 1h69 s THR 218 Ca 0.70 1.43 -0.12 0.00 -1.21 0.00 0.00 61.69 62.49 1h69 s THR 218 Cb -0.22 -4.05 0.13 0.00 -1.51 0.00 0.00 72.50 66.85 1h69 s THR 218 CO 0.33 0.06 1.12 -2.16 -2.21 0.00 0.00 174.62 171.76 1h69 s PRO 219 N 2.09 1.18 0.66 7.08 0.04 -1.26 -4.63 135.00 140.17 1h69 s PRO 219 Ca 0.34 0.42 -0.16 0.00 0.04 0.00 0.00 61.00 61.63 1h69 s PRO 219 Cb -0.16 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1h69 s PRO 219 CO 0.11 -2.20 1.17 -0.51 0.04 0.00 0.00 177.00 175.61 1h69 s LEU 220 N -6.08 3.46 -0.12 -3.56 1.43 0.11 -4.24 118.68 109.68 1h69 s LEU 220 Ca 0.63 2.24 -0.19 0.00 -1.03 0.00 0.00 54.13 55.78 1h69 s LEU 220 Cb -0.16 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 1h69 s LEU 220 CO 0.54 -1.83 0.52 -0.47 0.23 0.00 0.00 176.35 175.34 1h69 s TYR 221 N -1.98 3.51 -0.01 0.29 5.04 -1.26 -4.76 117.35 118.17 1h69 s TYR 221 Ca 0.73 0.93 0.03 0.00 -2.44 0.00 0.00 57.07 56.32 1h69 s TYR 221 Cb -0.26 -2.60 -0.01 0.00 0.35 0.00 0.00 41.96 39.44 1h69 s TYR 221 CO 0.40 0.13 -0.09 -0.06 -1.34 0.00 0.00 175.55 174.58 1h69 s PHE 222 N 0.76 0.87 0.18 4.97 0.08 -1.26 -4.90 117.98 118.68 1h69 s PHE 222 Ca 0.28 -0.17 -0.33 0.00 0.12 0.00 0.00 56.93 56.82 1h69 s PHE 222 Cb -0.15 -0.57 -0.14 0.00 -0.57 0.00 0.00 43.02 41.58 1h69 s PHE 222 CO 0.11 -0.03 1.55 0.00 -0.10 0.00 0.00 175.22 176.76 1h69 n ALA 223 N 2.92 1.42 -1.33 5.36 0.00 -1.26 -4.92 120.51 122.71 1h69 n ALA 223 Ca -0.14 0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 1h69 n ALA 223 Cb 0.56 -2.35 0.08 0.00 0.00 0.00 0.00 19.45 17.75 1h69 n ALA 223 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1h69 s PRO 224 N 0.65 2.31 0.55 0.00 0.02 -1.26 -4.91 135.00 132.36 1h69 s PRO 224 Ca 0.76 1.46 0.33 0.00 0.02 0.00 0.00 61.00 63.57 1h69 s PRO 224 Cb -0.66 -1.88 1.40 0.00 0.02 0.00 0.00 34.50 33.37 1h69 s PRO 224 CO 0.40 -1.64 2.00 0.66 -0.33 0.00 0.00 177.00 178.09 1h69 h SER 225 N -0.51 0.00 0.22 2.53 4.64 -1.93 -2.91 113.55 115.59 1h69 h SER 225 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1h69 h SER 225 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1h69 h SER 225 CO 0.51 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.96 1h69 n SER 226 N -3.15 0.11 -0.54 4.97 3.41 -1.26 -1.35 113.62 115.80 1h69 n SER 226 Ca 0.00 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.29 1h69 n SER 226 Cb 0.30 -0.56 0.47 0.00 -0.26 0.00 0.00 64.21 64.16 1h69 n SER 226 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1h69 n LEU 227 N -1.63 1.69 -4.31 1.04 4.77 -1.10 -4.90 117.00 112.57 1h69 n LEU 227 Ca 0.01 -0.57 -0.23 0.00 -0.03 0.00 0.00 56.01 55.19 1h69 n LEU 227 Cb 0.08 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1h69 n LEU 227 CO 0.07 0.29 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.55 1h69 s PHE 228 N -1.99 1.82 -0.93 -1.77 0.40 -0.46 -0.24 117.98 114.81 1h69 s PHE 228 Ca 0.37 -0.44 -0.20 0.00 -0.60 0.00 0.00 56.93 56.06 1h69 s PHE 228 Cb 0.21 -0.96 0.10 0.00 0.51 0.00 0.00 43.02 42.88 1h69 s PHE 228 CO 0.33 0.26 1.20 -0.51 0.70 0.00 0.00 175.22 177.20 1h69 s ASP 229 N -2.20 6.56 -0.79 1.36 1.01 -0.28 -4.76 116.67 117.57 1h69 s ASP 229 Ca 0.10 -1.79 -0.15 0.00 0.71 0.00 0.00 52.55 51.42 1h69 s ASP 229 Cb -0.08 -2.45 -0.11 0.00 1.01 0.00 0.00 42.92 41.29 1h69 s ASP 229 CO 0.05 -1.22 1.96 0.18 0.21 0.00 0.00 175.17 176.36 1h69 n LEU 230 N 7.28 4.24 -3.70 1.23 4.77 -1.26 -3.34 117.00 126.21 1h69 n LEU 230 Ca 0.24 -2.81 -0.12 0.00 -0.03 0.00 0.00 56.01 53.30 1h69 n LEU 230 Cb 0.49 -1.08 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 1h69 n LEU 230 CO 0.56 -0.03 0.10 0.54 -1.33 0.00 0.00 177.39 177.23 1h69 s ASN 231 N 4.40 -0.51 0.49 -1.43 2.20 -1.26 -4.99 114.94 113.84 1h69 s ASN 231 Ca 0.49 0.93 0.36 0.00 -0.94 0.00 0.00 52.86 53.70 1h69 s ASN 231 Cb 0.12 0.87 1.52 0.00 -2.00 0.00 0.00 41.25 41.76 1h69 s ASN 231 CO 0.06 -0.18 1.66 -0.26 -2.94 0.00 0.00 177.10 175.44 1h69 h PHE 232 N 6.30 0.27 0.12 1.54 0.04 -1.95 0.42 116.94 123.68 1h69 h PHE 232 Ca -0.32 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.46 1h69 h PHE 232 Cb 1.18 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1h69 h PHE 232 CO 0.31 -0.08 -0.06 0.37 -0.60 0.00 0.00 178.31 178.25 1h69 h GLN 233 N 0.07 -0.16 0.00 1.51 5.75 -1.95 -2.81 115.11 117.52 1h69 h GLN 233 Ca 0.78 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.29 1h69 h GLN 233 Cb 2.77 0.04 0.00 0.00 1.07 0.00 0.00 27.48 31.36 1h69 h GLN 233 CO -0.20 -0.02 0.00 0.00 -2.65 0.00 0.00 178.83 175.95 1h69 n ALA 234 N -2.21 2.17 -1.12 3.38 0.00 0.14 -4.88 120.51 117.99 1h69 n ALA 234 Ca -0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 1h69 n ALA 234 Cb 0.13 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1h69 n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h69 n GLY 235 N 0.90 0.68 3.05 0.00 0.00 -0.72 -3.32 105.19 105.78 1h69 n GLY 235 Ca 0.09 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1h69 n GLY 235 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h69 n PHE 236 N -2.79 -1.80 -2.92 1.61 3.01 -1.21 -4.97 117.46 108.40 1h69 n PHE 236 Ca -0.04 0.42 -0.27 0.00 1.01 0.00 0.00 57.45 58.57 1h69 n PHE 236 Cb 0.18 -3.75 -0.01 0.00 -0.01 0.00 0.00 39.48 35.89 1h69 n PHE 236 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1h69 s LEU 237 N -6.48 3.80 0.26 4.37 1.43 -1.21 -4.70 118.68 116.15 1h69 s LEU 237 Ca 0.29 0.83 -0.31 0.00 -1.03 0.00 0.00 54.13 53.92 1h69 s LEU 237 Cb -0.14 -3.74 -0.12 0.00 0.03 0.00 0.00 46.19 42.21 1h69 s LEU 237 CO 0.36 -0.44 1.53 0.80 0.23 0.00 0.00 176.35 178.83 1h69 n MET 238 N -1.83 2.43 -1.66 1.70 0.00 -1.26 -1.12 117.12 115.38 1h69 n MET 238 Ca -0.01 0.86 -0.41 0.00 -0.00 0.00 0.00 57.70 58.15 1h69 n MET 238 Cb 0.55 -2.60 0.01 0.00 0.00 0.00 0.00 33.22 31.18 1h69 n MET 238 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1h69 n LYS 239 N 2.26 1.64 -0.12 2.12 5.02 0.67 -4.73 118.16 125.03 1h69 n LYS 239 Ca 0.10 0.58 0.03 0.00 -2.02 0.00 0.00 58.31 57.01 1h69 n LYS 239 Cb 0.34 -2.22 0.34 0.00 -0.02 0.00 0.00 35.03 33.48 1h69 n LYS 239 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1h69 h LYS 240 N 1.80 0.75 -0.31 1.97 1.57 -1.90 0.57 116.57 121.02 1h69 h LYS 240 Ca -0.46 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 1h69 h LYS 240 Cb 1.32 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1h69 h LYS 240 CO 0.58 0.50 -0.04 0.93 -0.57 0.00 0.00 179.45 180.85 1h69 h GLU 241 N 0.77 0.49 0.02 3.15 3.07 -1.97 -0.21 114.58 119.90 1h69 h GLU 241 Ca 0.23 -0.11 -0.25 0.00 -0.50 0.00 0.00 59.36 58.73 1h69 h GLU 241 Cb -0.03 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1h69 h GLU 241 CO -0.05 0.54 -1.02 0.28 -1.40 0.00 0.00 179.01 177.36 1h69 h VAL 242 N 0.46 1.37 -0.76 3.13 2.07 -1.57 -2.19 116.25 118.75 1h69 h VAL 242 Ca 0.10 -2.45 -0.04 0.00 0.82 0.00 0.00 66.70 65.13 1h69 h VAL 242 Cb 0.36 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 1h69 h VAL 242 CO 0.02 0.74 0.33 1.56 0.02 0.00 0.00 177.57 180.23 1h69 h GLN 243 N 0.26 1.12 -0.02 1.57 4.20 -0.20 0.14 115.11 122.18 1h69 h GLN 243 Ca -0.11 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1h69 h GLN 243 Cb 1.67 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.26 1h69 h GLN 243 CO 0.18 0.88 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.76 1h69 h ASP 244 N 1.10 0.06 -0.59 1.46 3.32 -1.07 -2.74 116.42 117.96 1h69 h ASP 244 Ca 0.26 -0.52 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1h69 h ASP 244 Cb 0.16 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1h69 h ASP 244 CO -0.03 0.57 0.39 -0.33 -1.72 0.00 0.00 179.24 178.12 1h69 h GLU 245 N -0.44 0.60 0.00 3.56 5.08 -1.19 -1.97 114.58 120.21 1h69 h GLU 245 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1h69 h GLU 245 Cb 0.55 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1h69 h GLU 245 CO 0.01 0.40 -0.07 1.49 -1.00 0.00 0.00 179.01 179.84 1h69 h GLU 246 N 0.62 0.00 0.00 2.33 4.57 -0.65 -3.21 114.58 118.24 1h69 h GLU 246 Ca 0.25 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1h69 h GLU 246 Cb 0.20 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1h69 h GLU 246 CO -0.07 0.07 -0.02 0.87 -1.18 0.00 0.00 179.01 178.68 1h69 h LYS 247 N 0.00 0.00 -0.21 1.92 1.57 -1.04 -1.69 116.57 117.12 1h69 h LYS 247 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h69 h LYS 247 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1h69 h LYS 247 CO 0.01 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 179.00 1h69 n ASN 248 N -3.74 2.22 -4.87 0.86 3.02 -1.21 -4.90 115.26 106.63 1h69 n ASN 248 Ca -0.03 -1.79 -0.36 0.00 -0.03 0.00 0.00 54.58 52.37 1h69 n ASN 248 Cb 0.11 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 1h69 n ASN 248 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1h69 s LYS 249 N -1.73 3.63 -0.04 3.52 -0.14 -0.64 -5.02 119.74 119.32 1h69 s LYS 249 Ca 0.34 0.03 -0.24 0.00 -1.36 0.00 0.00 55.97 54.75 1h69 s LYS 249 Cb 0.19 -3.12 -0.23 0.00 -1.68 0.00 0.00 37.83 32.99 1h69 s LYS 249 CO 0.28 0.67 1.05 -0.22 -0.76 0.00 0.00 175.35 176.37 1h69 h LYS 250 N 4.30 0.21 -6.20 1.68 3.64 -1.90 -3.46 116.57 114.83 1h69 h LYS 250 Ca -0.51 -0.21 -0.56 0.00 -1.27 0.00 0.00 60.65 58.09 1h69 h LYS 250 Cb 1.21 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1h69 h LYS 250 CO 0.64 0.93 -0.31 -0.06 -2.27 0.00 0.00 179.45 178.38 1h69 s PHE 251 N -3.18 3.48 0.97 1.91 0.08 -1.26 -3.66 117.98 116.32 1h69 s PHE 251 Ca -0.15 0.50 -0.15 0.00 0.12 0.00 0.00 56.93 57.25 1h69 s PHE 251 Cb 0.01 -1.97 0.18 0.00 -0.57 0.00 0.00 43.02 40.67 1h69 s PHE 251 CO 0.75 0.40 1.19 0.20 -0.10 0.00 0.00 175.22 177.66 1h69 s GLY 252 N -2.68 1.64 0.08 4.36 0.00 0.15 -4.90 107.32 105.96 1h69 s GLY 252 Ca 0.41 -0.81 -0.15 0.00 0.00 0.00 0.00 44.72 44.16 1h69 s GLY 252 CO 0.26 -0.14 1.29 1.41 0.00 0.00 0.00 173.10 175.93 1h69 h LEU 253 N -1.71 0.78 0.00 0.66 3.38 -1.38 -3.38 115.31 113.66 1h69 h LEU 253 Ca -0.47 -0.61 -0.09 0.00 0.09 0.00 0.00 57.88 56.80 1h69 h LEU 253 Cb 1.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1h69 h LEU 253 CO 0.50 1.25 0.09 -1.54 0.09 0.00 0.00 178.44 178.83 1h69 n SER 254 N -4.12 -1.43 -0.22 -0.43 3.41 -1.16 -4.79 113.62 104.87 1h69 n SER 254 Ca -0.07 -2.24 -0.06 0.00 -0.26 0.00 0.00 58.87 56.23 1h69 n SER 254 Cb 0.64 2.45 0.04 0.00 -0.26 0.00 0.00 64.21 67.07 1h69 n SER 254 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1h69 h VAL 255 N 1.73 1.19 -0.07 -3.33 2.07 -1.92 -0.04 116.25 115.88 1h69 h VAL 255 Ca -0.23 -0.48 -0.17 0.00 0.82 0.00 0.00 66.70 66.65 1h69 h VAL 255 Cb 0.89 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1h69 h VAL 255 CO 0.30 0.21 -0.69 1.23 0.02 0.00 0.00 177.57 178.63 1h69 h GLY 256 N 0.84 0.35 -5.04 2.17 0.00 -1.96 -3.22 103.07 96.21 1h69 h GLY 256 Ca 0.22 -0.48 -0.69 0.00 0.00 0.00 0.00 47.33 46.38 1h69 h GLY 256 CO -0.04 0.42 0.22 1.42 0.00 0.00 0.00 176.54 178.57 1h69 n HIS 257 N -3.83 3.24 0.30 5.60 -0.00 -0.98 -4.68 115.22 114.88 1h69 n HIS 257 Ca -0.03 -2.84 0.17 0.00 -0.00 0.00 0.00 57.72 55.02 1h69 n HIS 257 Cb 0.68 -0.72 0.75 0.00 -0.00 0.00 0.00 29.99 30.71 1h69 n HIS 257 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1h69 h HIS 258 N 3.02 0.00 -0.62 4.41 2.07 -1.02 -0.66 115.15 122.34 1h69 h HIS 258 Ca 0.42 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.74 1h69 h HIS 258 Cb 0.44 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.34 1h69 h HIS 258 CO 1.03 0.00 -0.17 1.28 -3.07 0.00 0.00 177.93 177.00 1h69 n LEU 259 N -2.94 -0.30 0.00 6.12 4.77 -1.26 -1.08 117.00 122.31 1h69 n LEU 259 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1h69 n LEU 259 Cb 0.25 -2.35 0.00 0.00 -2.33 0.00 0.00 43.42 38.99 1h69 n LEU 259 CO 0.24 -0.88 0.00 0.61 -1.33 0.00 0.00 177.39 176.03 1h69 n GLY 260 N 0.22 0.74 0.43 -0.72 0.00 -1.26 -5.04 105.19 99.56 1h69 n GLY 260 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 1h69 n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h69 n LYS 261 N -2.08 1.35 -1.97 1.61 5.02 -0.24 -5.09 118.16 116.76 1h69 n LYS 261 Ca 0.00 -0.38 -0.37 0.00 -2.02 0.00 0.00 58.31 55.54 1h69 n LYS 261 Cb 0.00 0.03 0.03 0.00 -0.02 0.00 0.00 35.03 35.08 1h69 n LYS 261 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1h69 s SER 262 N -1.37 5.32 -0.17 4.39 0.01 -1.24 -4.64 113.70 116.00 1h69 s SER 262 Ca 0.04 2.50 -0.18 0.00 1.31 0.00 0.00 55.95 59.62 1h69 s SER 262 Cb -0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1h69 s SER 262 CO 0.02 -1.52 0.51 -0.63 0.41 0.00 0.00 173.24 172.04 1h69 s ILE 263 N -1.48 5.13 0.13 1.44 1.01 -1.26 0.32 121.20 126.48 1h69 s ILE 263 Ca 0.74 0.97 -0.34 0.00 0.00 0.00 0.00 60.65 62.01 1h69 s ILE 263 Cb -0.34 -3.84 -0.14 0.00 0.01 0.00 0.00 42.46 38.15 1h69 s ILE 263 CO 0.38 0.23 1.56 -0.81 0.00 0.00 0.00 174.94 176.30 1h69 n PRO 264 N 4.39 1.98 -1.56 2.79 -0.04 -1.26 -4.81 135.00 136.49 1h69 n PRO 264 Ca -0.05 0.72 -0.52 0.00 -0.04 0.00 0.00 63.50 63.60 1h69 n PRO 264 Cb 0.51 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.44 1h69 n PRO 264 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1h69 n THR 265 N 3.41 0.39 -4.44 0.52 -1.04 -1.26 -2.18 114.28 109.69 1h69 n THR 265 Ca 0.18 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.05 61.70 1h69 n THR 265 Cb 0.27 -0.65 -0.08 0.00 -1.82 0.00 0.00 70.33 68.05 1h69 n THR 265 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1h69 n ASP 266 N 2.15 -1.17 0.00 8.00 8.00 -1.26 -4.82 116.55 127.46 1h69 n ASP 266 Ca 0.17 -1.23 0.13 0.00 0.71 0.00 0.00 54.79 54.58 1h69 n ASP 266 Cb 0.19 -1.76 0.58 0.00 -0.02 0.00 0.00 41.12 40.12 1h69 n ASP 266 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1h69 h ASN 267 N -1.21 0.20 -0.17 -2.24 -1.24 -1.69 0.11 115.58 109.35 1h69 h ASN 267 Ca -0.62 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.40 1h69 h ASN 267 Cb 1.39 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.40 1h69 h ASN 267 CO 0.83 0.12 0.00 0.00 -1.29 0.00 0.00 177.43 177.09 1h69 n GLN 268 N -4.45 2.05 -0.01 6.67 1.13 -1.26 -4.28 117.38 117.23 1h69 n GLN 268 Ca 0.07 -1.90 -0.02 0.00 -1.94 0.00 0.00 57.00 53.21 1h69 n GLN 268 Cb 0.38 -1.42 -0.02 0.00 0.11 0.00 0.00 30.24 29.30 1h69 n GLN 268 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1h69 n ILE 269 N 1.20 0.19 -4.89 5.09 5.41 -0.68 -4.52 119.36 121.17 1h69 n ILE 269 Ca 0.14 -0.10 -0.26 0.00 1.00 0.00 0.00 62.75 63.53 1h69 n ILE 269 Cb 0.53 -0.83 -0.16 0.00 -0.71 0.00 0.00 39.64 38.46 1h69 n ILE 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1h69 s LYS 270 N -2.07 1.70 0.00 0.38 -0.14 0.30 -4.22 119.74 115.68 1h69 s LYS 270 Ca -0.02 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 53.93 1h69 s LYS 270 Cb 0.01 -1.54 0.00 0.00 -1.68 0.00 0.00 37.83 34.62 1h69 s LYS 270 CO 0.10 0.33 0.00 0.00 -0.76 0.00 0.00 175.35 175.02 1h69 n ALA 271 N 2.88 0.00 -2.54 5.17 0.00 -1.26 -4.59 120.51 120.18 1h69 n ALA 271 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1h69 n ALA 271 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1h69 n ALA 271 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1h69 n ARG 272 N -0.19 -4.71 0.00 0.00 0.63 -1.26 -4.96 116.66 106.17 1h69 n ARG 272 Ca 0.00 3.52 0.00 0.00 -0.92 0.00 0.00 57.85 60.45 1h69 n ARG 272 Cb 0.00 -4.99 0.00 0.00 0.45 0.00 0.00 32.46 27.92 1h69 n ARG 272 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29