#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h66 s GLY 2 N 0.00 0.34 -0.01 0.00 0.00 -1.26 -5.02 107.32 101.37 1h66 s GLY 2 Ca 0.00 -0.19 0.10 0.00 0.00 0.00 0.00 44.72 44.63 1h66 s GLY 2 CO 0.00 -0.02 0.29 0.54 0.00 0.00 0.00 173.10 173.92 1h66 n ARG 3 N 3.27 1.84 -4.99 2.90 5.12 -1.26 -4.93 116.66 118.61 1h66 n ARG 3 Ca -0.17 -0.05 -0.32 0.00 -1.93 0.00 0.00 57.85 55.38 1h66 n ARG 3 Cb 0.56 -1.11 -0.15 0.00 -1.16 0.00 0.00 32.46 30.60 1h66 n ARG 3 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1h66 s ARG 4 N -2.34 3.02 0.03 5.56 0.52 -1.26 0.11 118.95 124.59 1h66 s ARG 4 Ca -0.00 -0.78 0.06 0.00 -0.52 0.00 0.00 55.73 54.49 1h66 s ARG 4 Cb 0.07 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 1h66 s ARG 4 CO 0.40 0.29 -0.18 0.00 0.02 0.00 0.00 175.30 175.84 1h66 s ALA 5 N 0.10 1.47 -0.10 2.13 0.00 0.14 -1.10 121.76 124.39 1h66 s ALA 5 Ca -0.08 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.00 1h66 s ALA 5 Cb -0.15 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1h66 s ALA 5 CO 0.05 0.32 -0.21 -1.17 0.00 0.00 0.00 175.76 174.76 1h66 s LEU 6 N -1.00 1.98 -0.23 0.00 2.96 0.00 -0.30 118.68 122.11 1h66 s LEU 6 Ca 0.05 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1h66 s LEU 6 Cb -0.08 -1.29 0.02 0.00 0.50 0.00 0.00 46.19 45.33 1h66 s LEU 6 CO 0.01 0.11 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.44 1h66 s ILE 7 N 0.56 2.86 -0.30 6.68 1.01 -0.17 -0.94 121.20 130.89 1h66 s ILE 7 Ca -0.14 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 1h66 s ILE 7 Cb -0.17 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1h66 s ILE 7 CO 0.05 0.32 0.19 -0.69 0.00 0.00 0.00 174.94 174.81 1h66 s VAL 8 N 1.36 5.03 -0.10 2.92 1.01 0.76 -1.10 120.40 130.29 1h66 s VAL 8 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1h66 s VAL 8 Cb -0.15 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1h66 s VAL 8 CO -0.06 0.13 -0.06 -0.22 0.00 0.00 0.00 175.10 174.89 1h66 s LEU 9 N 1.70 3.17 -0.57 3.92 2.96 -0.71 -0.57 118.68 128.58 1h66 s LEU 9 Ca 0.06 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.96 1h66 s LEU 9 Cb -0.17 -1.72 0.24 0.00 0.50 0.00 0.00 46.19 45.05 1h66 s LEU 9 CO 0.09 0.28 0.65 0.00 -1.32 0.00 0.00 176.35 176.05 1h66 n ALA 10 N 2.76 3.54 -3.37 5.97 0.00 -0.67 -2.36 120.51 126.37 1h66 n ALA 10 Ca -0.18 -4.33 -0.12 0.00 0.00 0.00 0.00 53.44 48.81 1h66 n ALA 10 Cb 0.53 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1h66 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1h66 s HIS 11 N -1.95 -0.39 0.11 0.00 5.04 -1.26 -4.48 115.29 112.34 1h66 s HIS 11 Ca 0.37 0.93 0.09 0.00 -1.54 0.00 0.00 55.06 54.91 1h66 s HIS 11 Cb 0.13 0.13 -0.02 0.00 0.04 0.00 0.00 32.58 32.87 1h66 s HIS 11 CO -0.06 -0.21 1.39 0.66 -2.34 0.00 0.00 174.74 174.18 1h66 h SER 12 N 6.12 0.00 -3.37 9.88 4.64 -1.98 -3.43 113.55 125.42 1h66 h SER 12 Ca -0.30 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.43 1h66 h SER 12 Cb 1.18 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 1h66 h SER 12 CO 0.31 0.82 -0.26 -1.61 -0.87 0.00 0.00 176.83 175.23 1h66 s GLU 13 N -2.95 4.24 0.00 4.77 0.41 -1.26 -4.94 118.70 118.97 1h66 s GLU 13 Ca 0.01 0.18 0.30 0.00 -0.41 0.00 0.00 54.97 55.06 1h66 s GLU 13 Cb 0.10 -3.47 1.58 0.00 -1.78 0.00 0.00 34.13 30.56 1h66 s GLU 13 CO 0.79 0.13 2.06 2.89 -0.49 0.00 0.00 175.26 180.64 1h66 n ARG 14 N 3.90 0.80 0.00 1.61 0.00 -1.26 -2.71 116.66 119.00 1h66 n ARG 14 Ca -0.10 -0.12 0.13 0.00 -0.00 0.00 0.00 57.85 57.76 1h66 n ARG 14 Cb 0.52 -1.50 0.23 0.00 -0.00 0.00 0.00 32.46 31.71 1h66 n ARG 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1h66 n THR 15 N -1.00 0.00 -1.77 8.89 -2.24 -1.26 -4.76 114.28 112.14 1h66 n THR 15 Ca 0.18 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 1h66 n THR 15 Cb 0.21 1.11 0.06 0.00 -2.10 0.00 0.00 70.33 69.60 1h66 n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h66 s SER 16 N -2.07 5.23 0.32 3.42 1.04 -1.10 -4.96 113.70 115.57 1h66 s SER 16 Ca 0.30 1.23 0.11 0.00 0.48 0.00 0.00 55.95 58.07 1h66 s SER 16 Cb 0.20 -2.03 0.52 0.00 0.10 0.00 0.00 66.02 64.81 1h66 s SER 16 CO 0.35 -1.49 1.71 0.15 0.98 0.00 0.00 173.24 174.94 1h66 h PHE 17 N -0.76 0.01 -0.66 5.02 3.57 -1.93 -2.56 116.94 119.63 1h66 h PHE 17 Ca -0.45 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1h66 h PHE 17 Cb 1.25 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 1h66 h PHE 17 CO 0.51 0.51 0.27 -0.91 -2.23 0.00 0.00 178.31 176.45 1h66 h ASN 18 N 0.01 0.90 -0.71 0.41 2.35 -1.93 0.17 115.58 116.79 1h66 h ASN 18 Ca -0.00 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.54 1h66 h ASN 18 Cb 0.89 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 1h66 h ASN 18 CO 0.07 0.82 0.28 0.22 -1.65 0.00 0.00 177.43 177.17 1h66 h TYR 19 N 0.93 1.08 -0.89 1.19 3.20 -1.72 -1.41 116.97 119.33 1h66 h TYR 19 Ca 0.22 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1h66 h TYR 19 Cb 0.20 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 1h66 h TYR 19 CO 0.01 0.83 0.49 0.00 -1.64 0.00 0.00 178.16 177.86 1h66 h ALA 20 N 1.13 1.18 -0.46 1.82 0.00 -0.99 -1.51 119.26 120.44 1h66 h ALA 20 Ca 0.24 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1h66 h ALA 20 Cb 0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1h66 h ALA 20 CO -0.02 0.66 -0.05 0.52 0.00 0.00 0.00 179.25 180.36 1h66 h MET 21 N 1.25 0.79 -0.34 0.00 2.86 -0.10 0.02 114.93 119.42 1h66 h MET 21 Ca 0.31 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1h66 h MET 21 Cb 0.02 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1h66 h MET 21 CO -0.05 0.83 -0.10 -0.22 1.06 0.00 0.00 176.91 178.43 1h66 h LYS 22 N 0.73 0.66 -0.68 1.72 3.11 -0.84 -1.45 116.57 119.83 1h66 h LYS 22 Ca 0.13 -0.26 -0.03 0.00 -2.81 0.00 0.00 60.65 57.68 1h66 h LYS 22 Cb 0.51 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.68 1h66 h LYS 22 CO 0.03 0.84 0.31 0.93 -2.81 0.00 0.00 179.45 178.75 1h66 h GLU 23 N 0.45 0.99 -0.42 1.90 4.39 -1.07 -0.91 114.58 119.91 1h66 h GLU 23 Ca 0.08 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1h66 h GLU 23 Cb 0.60 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1h66 h GLU 23 CO 0.04 0.79 0.25 0.00 -1.16 0.00 0.00 179.01 178.93 1h66 h ALA 24 N 1.14 0.53 -0.27 3.43 0.00 -0.84 -1.53 119.26 121.74 1h66 h ALA 24 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1h66 h ALA 24 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1h66 h ALA 24 CO -0.03 0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.39 1h66 h ALA 25 N 1.12 0.34 -0.48 0.00 0.00 -0.92 -1.14 119.26 118.18 1h66 h ALA 25 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1h66 h ALA 25 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1h66 h ALA 25 CO -0.03 -0.12 0.30 0.00 0.00 0.00 0.00 179.25 179.40 1h66 h ALA 26 N 1.02 0.61 -0.02 0.00 0.00 -1.02 -1.69 119.26 118.15 1h66 h ALA 26 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1h66 h ALA 26 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1h66 h ALA 26 CO -0.01 0.08 0.01 0.00 0.00 0.00 0.00 179.25 179.33 1h66 h ALA 27 N 1.15 0.03 -0.41 0.00 0.00 -1.12 -2.01 119.26 116.90 1h66 h ALA 27 Ca 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1h66 h ALA 27 Cb -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1h66 h ALA 27 CO -0.03 -0.42 0.21 0.00 0.00 0.00 0.00 179.25 179.00 1h66 h ALA 28 N 0.91 0.51 -0.55 0.00 0.00 -1.05 -2.45 119.26 116.62 1h66 h ALA 28 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1h66 h ALA 28 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1h66 h ALA 28 CO -0.00 -0.15 0.18 -0.07 0.00 0.00 0.00 179.25 179.22 1h66 h LEU 29 N 0.42 0.80 -0.98 0.00 4.07 -1.25 -2.75 115.31 115.61 1h66 h LEU 29 Ca 0.17 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1h66 h LEU 29 Cb 0.07 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 1h66 h LEU 29 CO -0.11 0.78 0.32 0.11 -1.08 0.00 0.00 178.44 178.45 1h66 h LYS 30 N 0.77 1.05 -0.69 1.13 1.57 -1.24 -0.38 116.57 118.77 1h66 h LYS 30 Ca 0.18 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1h66 h LYS 30 Cb 0.26 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1h66 h LYS 30 CO -0.01 0.83 0.35 0.87 -0.57 0.00 0.00 179.45 180.93 1h66 h LYS 31 N 1.03 0.97 -0.06 3.15 1.57 -1.24 -0.66 116.57 121.34 1h66 h LYS 31 Ca 0.25 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1h66 h LYS 31 Cb 0.15 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1h66 h LYS 31 CO -0.03 0.73 0.00 1.63 -0.57 0.00 0.00 179.45 181.22 1h66 n LYS 32 N -4.35 1.10 -0.64 3.15 4.76 -0.85 -4.87 118.16 116.45 1h66 n LYS 32 Ca 0.07 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1h66 n LYS 32 Cb 0.12 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 1h66 n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h66 n GLY 33 N 0.56 0.76 3.80 0.72 0.00 -0.25 -5.06 105.19 105.71 1h66 n GLY 33 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1h66 n GLY 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h66 s TRP 34 N -2.72 2.88 -0.30 1.61 0.52 -0.21 -4.97 118.94 115.74 1h66 s TRP 34 Ca 0.00 1.48 -0.12 0.00 0.02 0.00 0.00 56.10 57.48 1h66 s TRP 34 Cb 0.00 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 1h66 s TRP 34 CO 0.00 -1.47 0.22 -2.00 0.02 0.00 0.00 176.95 173.72 1h66 s GLU 35 N -4.95 3.78 -0.26 4.98 2.12 0.30 -4.37 118.70 120.30 1h66 s GLU 35 Ca 0.60 -0.43 -0.01 0.00 0.36 0.00 0.00 54.97 55.49 1h66 s GLU 35 Cb -0.15 -3.72 0.03 0.00 0.26 0.00 0.00 34.13 30.55 1h66 s GLU 35 CO 0.55 -0.29 -0.06 0.08 -0.54 0.00 0.00 175.26 175.00 1h66 s VAL 36 N 1.76 2.79 0.09 3.70 1.01 -1.26 0.24 120.40 128.73 1h66 s VAL 36 Ca 0.07 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 60.92 1h66 s VAL 36 Cb -0.16 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1h66 s VAL 36 CO 0.11 0.12 0.09 -0.69 0.00 0.00 0.00 175.10 174.73 1h66 s VAL 37 N 1.28 4.54 0.18 2.92 1.01 0.60 -5.00 120.40 125.94 1h66 s VAL 37 Ca -0.02 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.27 1h66 s VAL 37 Cb -0.17 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1h66 s VAL 37 CO -0.04 0.10 -0.20 -1.61 0.00 0.00 0.00 175.10 173.35 1h66 s GLU 38 N -2.47 1.37 -0.40 2.72 2.02 -1.26 -1.00 118.70 119.67 1h66 s GLU 38 Ca 0.30 -1.47 0.03 0.00 0.02 0.00 0.00 54.97 53.84 1h66 s GLU 38 Cb -0.12 -1.50 0.16 0.00 0.10 0.00 0.00 34.13 32.77 1h66 s GLU 38 CO 0.22 0.31 0.30 -1.12 0.02 0.00 0.00 175.26 174.99 1h66 s SER 39 N -2.73 2.21 -0.85 -0.19 0.01 -0.25 -4.90 113.70 106.98 1h66 s SER 39 Ca 0.18 -2.77 -0.21 0.00 1.31 0.00 0.00 55.95 54.46 1h66 s SER 39 Cb -0.06 -0.50 0.09 0.00 0.21 0.00 0.00 66.02 65.76 1h66 s SER 39 CO 0.08 -0.22 1.14 -0.62 0.41 0.00 0.00 173.24 174.03 1h66 s ASP 40 N 0.37 6.44 0.26 2.44 -1.08 -1.26 -1.73 116.67 122.11 1h66 s ASP 40 Ca 0.27 -1.53 -0.01 0.00 -0.52 0.00 0.00 52.55 50.75 1h66 s ASP 40 Cb -0.07 -2.44 0.49 0.00 -1.46 0.00 0.00 42.92 39.44 1h66 s ASP 40 CO -0.11 -1.30 1.80 -0.07 0.52 0.00 0.00 175.17 176.00 1h66 h LEU 41 N 11.27 0.68 -0.31 -1.34 3.38 -1.84 0.57 115.31 127.72 1h66 h LEU 41 Ca 0.01 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1h66 h LEU 41 Cb 1.04 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1h66 h LEU 41 CO 1.20 0.34 -0.27 1.88 0.09 0.00 0.00 178.44 181.68 1h66 h TYR 42 N 0.77 0.87 -0.17 1.13 0.05 -1.83 -0.59 116.97 117.20 1h66 h TYR 42 Ca 0.45 -0.25 -0.06 0.00 0.05 0.00 0.00 58.73 58.92 1h66 h TYR 42 Cb 0.52 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1h66 h TYR 42 CO -0.06 1.00 -0.15 0.00 -1.05 0.00 0.00 178.16 177.91 1h66 h ALA 43 N 0.73 1.43 0.00 3.88 0.00 -1.72 -1.80 119.26 121.78 1h66 h ALA 43 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1h66 h ALA 43 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1h66 h ALA 43 CO 0.07 0.40 -0.04 -1.33 0.00 0.00 0.00 179.25 178.35 1h66 n MET 44 N -4.24 0.03 -3.79 0.00 2.81 0.13 -4.89 117.12 107.17 1h66 n MET 44 Ca -0.00 0.02 -0.27 0.00 -1.81 0.00 0.00 57.70 55.64 1h66 n MET 44 Cb 0.29 -1.53 0.04 0.00 -0.71 0.00 0.00 33.22 31.31 1h66 n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1h66 n ASN 45 N -1.59 -4.59 -4.72 7.83 5.15 -0.67 -4.86 115.26 111.80 1h66 n ASN 45 Ca 0.07 -0.72 -0.43 0.00 -0.60 0.00 0.00 54.58 52.90 1h66 n ASN 45 Cb 0.35 -4.23 -0.01 0.00 -0.53 0.00 0.00 39.78 35.36 1h66 n ASN 45 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1h66 n PHE 46 N -4.69 2.59 -3.03 1.20 7.35 -0.32 -4.96 117.46 115.59 1h66 n PHE 46 Ca -0.02 0.39 -0.43 0.00 -0.76 0.00 0.00 57.45 56.63 1h66 n PHE 46 Cb 0.56 -2.52 -0.06 0.00 0.35 0.00 0.00 39.48 37.82 1h66 n PHE 46 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1h66 s ASN 47 N 0.18 6.41 0.00 -2.13 3.04 -1.26 -4.93 114.94 116.24 1h66 s ASN 47 Ca 0.62 -0.06 0.17 0.00 0.04 0.00 0.00 52.86 53.63 1h66 s ASN 47 Cb -0.55 -2.36 0.50 0.00 -1.54 0.00 0.00 41.25 37.31 1h66 s ASN 47 CO 0.54 -0.79 1.41 -0.81 -3.04 0.00 0.00 177.10 174.41 1h66 n PRO 48 N 6.42 2.07 -3.64 0.43 -0.04 -1.26 -4.85 135.00 134.13 1h66 n PRO 48 Ca 0.01 -1.65 -0.38 0.00 -0.04 0.00 0.00 63.50 61.44 1h66 n PRO 48 Cb 0.48 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 1h66 n PRO 48 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1h66 s ILE 49 N -1.48 4.88 0.20 0.52 1.01 -1.26 -4.26 121.20 120.81 1h66 s ILE 49 Ca 0.33 -0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.57 1h66 s ILE 49 Cb 0.18 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 1h66 s ILE 49 CO 0.24 0.19 1.34 -0.63 0.00 0.00 0.00 174.94 176.09 1h66 s ILE 50 N 1.68 3.12 0.28 2.92 1.01 -1.26 -5.01 121.20 123.94 1h66 s ILE 50 Ca 0.06 0.91 -0.21 0.00 0.00 0.00 0.00 60.65 61.41 1h66 s ILE 50 Cb -0.16 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.77 1h66 s ILE 50 CO 0.08 0.13 0.81 -0.94 0.00 0.00 0.00 174.94 175.02 1h66 s SER 51 N 0.43 -0.16 0.36 3.58 1.04 -1.26 -5.02 113.70 112.68 1h66 s SER 51 Ca 0.58 -0.71 0.27 0.00 0.48 0.00 0.00 55.95 56.57 1h66 s SER 51 Cb -0.37 0.70 1.23 0.00 0.10 0.00 0.00 66.02 67.67 1h66 s SER 51 CO 0.38 -1.32 1.81 0.08 0.98 0.00 0.00 173.24 175.16 1h66 h ARG 52 N 2.00 0.00 0.00 4.02 0.11 -1.95 -1.83 114.38 116.73 1h66 h ARG 52 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1h66 h ARG 52 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1h66 h ARG 52 CO 0.29 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.99 1h66 n LYS 53 N -2.47 0.44 0.07 0.08 5.02 -1.26 -1.70 118.16 118.33 1h66 n LYS 53 Ca 0.01 0.06 0.13 0.00 -2.02 0.00 0.00 58.31 56.48 1h66 n LYS 53 Cb 0.18 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.17 1h66 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1h66 n ASP 54 N -1.14 0.50 -4.40 4.39 8.00 -0.69 -4.56 116.55 118.64 1h66 n ASP 54 Ca 0.12 0.56 -0.36 0.00 0.71 0.00 0.00 54.79 55.82 1h66 n ASP 54 Cb 0.11 -0.69 -0.13 0.00 -0.02 0.00 0.00 41.12 40.39 1h66 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h66 s ILE 55 N -3.09 3.90 0.07 0.53 1.09 -0.69 -0.02 121.20 123.00 1h66 s ILE 55 Ca 0.11 -0.32 -0.14 0.00 -1.10 0.00 0.00 60.65 59.20 1h66 s ILE 55 Cb 0.14 -2.79 -0.25 0.00 -1.06 0.00 0.00 42.46 38.50 1h66 s ILE 55 CO 0.53 0.39 1.17 0.74 -0.10 0.00 0.00 174.94 177.67 1h66 h THR 56 N 5.56 1.28 -0.32 2.92 2.02 -1.18 -3.47 112.91 119.73 1h66 h THR 56 Ca -0.39 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.47 1h66 h THR 56 Cb 1.17 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 1h66 h THR 56 CO 0.59 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.81 1h66 n GLY 57 N 1.17 1.10 3.74 2.16 0.00 -1.26 -5.04 105.19 107.07 1h66 n GLY 57 Ca -0.12 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1h66 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h66 s LYS 58 N 1.00 4.47 0.61 1.61 -0.14 -1.26 -5.05 119.74 120.97 1h66 s LYS 58 Ca 0.00 1.01 -0.12 0.00 -1.36 0.00 0.00 55.97 55.50 1h66 s LYS 58 Cb 0.00 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 1h66 s LYS 58 CO 0.00 0.26 1.03 -0.51 -0.76 0.00 0.00 175.35 175.36 1h66 s LEU 59 N 0.07 3.30 0.04 3.17 1.43 -1.26 -4.98 118.68 120.46 1h66 s LEU 59 Ca 0.38 1.51 -0.17 0.00 -1.03 0.00 0.00 54.13 54.82 1h66 s LEU 59 Cb -0.20 -4.49 -0.22 0.00 0.03 0.00 0.00 46.19 41.32 1h66 s LEU 59 CO 0.22 -0.94 1.17 0.50 0.23 0.00 0.00 176.35 177.54 1h66 h LYS 60 N -0.11 0.57 -2.60 1.70 1.63 -1.97 -3.39 116.57 112.40 1h66 h LYS 60 Ca -0.45 -0.57 -0.60 0.00 -0.85 0.00 0.00 60.65 58.19 1h66 h LYS 60 Cb 1.19 0.15 -0.39 0.00 -0.60 0.00 0.00 32.23 32.58 1h66 h LYS 60 CO 0.61 1.19 -0.85 0.34 -3.45 0.00 0.00 179.45 177.29 1h66 s ASP 61 N -6.96 2.53 0.52 4.20 -1.08 -1.26 -5.00 116.67 109.62 1h66 s ASP 61 Ca -0.12 -3.29 0.22 0.00 -0.52 0.00 0.00 52.55 48.85 1h66 s ASP 61 Cb 0.06 -0.81 1.41 0.00 -1.46 0.00 0.00 42.92 42.11 1h66 s ASP 61 CO 0.87 -0.15 2.13 1.55 0.52 0.00 0.00 175.17 180.08 1h66 h PRO 62 N 5.61 0.00 0.00 4.34 0.13 -1.99 -2.63 132.00 137.45 1h66 h PRO 62 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1h66 h PRO 62 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1h66 h PRO 62 CO 0.48 0.07 -0.09 0.00 -0.23 0.00 0.00 178.00 178.23 1h66 h ALA 63 N 1.93 0.95 -2.27 -0.56 0.00 -1.98 -3.37 119.26 113.96 1h66 h ALA 63 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1h66 h ALA 63 Cb 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.55 1h66 h ALA 63 CO 0.01 0.00 -0.97 -1.71 0.00 0.00 0.00 179.25 176.58 1h66 n ASN 64 N -2.63 0.37 -4.68 0.00 5.15 -1.00 -5.11 115.26 107.36 1h66 n ASN 64 Ca 0.04 -2.64 -0.42 0.00 -0.60 0.00 0.00 54.58 50.96 1h66 n ASN 64 Cb 0.48 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 39.09 1h66 n ASN 64 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1h66 s PHE 65 N -0.73 2.64 -0.28 1.20 2.19 -1.19 -4.81 117.98 116.99 1h66 s PHE 65 Ca 0.34 0.67 0.03 0.00 0.33 0.00 0.00 56.93 58.30 1h66 s PHE 65 Cb 0.09 -3.72 0.07 0.00 -1.31 0.00 0.00 43.02 38.16 1h66 s PHE 65 CO -0.15 -2.75 -0.06 -0.65 1.83 0.00 0.00 175.22 173.44 1h66 s GLN 66 N 2.91 2.02 0.15 10.12 -1.52 -1.26 -5.04 119.66 127.03 1h66 s GLN 66 Ca 0.65 -1.51 -0.22 0.00 -1.95 0.00 0.00 55.36 52.34 1h66 s GLN 66 Cb -0.31 -2.98 0.04 0.00 -0.22 0.00 0.00 33.01 29.53 1h66 s GLN 66 CO 0.26 -0.68 1.63 -0.92 -0.25 0.00 0.00 175.29 175.33 1h66 h TYR 67 N 7.72 -0.63 -0.24 0.91 3.20 -1.98 -1.94 116.97 124.01 1h66 h TYR 67 Ca -0.15 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.82 1h66 h TYR 67 Cb 1.03 0.32 -0.08 0.00 1.54 0.00 0.00 36.73 39.55 1h66 h TYR 67 CO 0.59 -0.31 -0.36 -1.35 -1.64 0.00 0.00 178.16 175.08 1h66 h PRO 68 N -0.23 -0.36 -0.23 1.82 0.11 -1.99 0.95 132.00 132.09 1h66 h PRO 68 Ca 0.15 0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 1h66 h PRO 68 Cb 0.46 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 1h66 h PRO 68 CO -0.40 -0.24 -0.35 0.00 -0.21 0.00 0.00 178.00 176.80 1h66 h ALA 69 N 0.45 0.35 -0.56 -0.75 0.00 -1.98 -2.25 119.26 114.51 1h66 h ALA 69 Ca 0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1h66 h ALA 69 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1h66 h ALA 69 CO -0.44 0.41 0.20 0.93 0.00 0.00 0.00 179.25 180.34 1h66 h GLU 70 N 0.34 0.85 -0.55 0.00 4.39 -1.24 -1.05 114.58 117.31 1h66 h GLU 70 Ca 0.02 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 1h66 h GLU 70 Cb 0.94 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1h66 h GLU 70 CO 0.08 0.76 -0.03 0.66 -1.16 0.00 0.00 179.01 179.32 1h66 h SER 71 N 0.77 0.96 -0.13 1.42 4.64 -0.84 -0.40 113.55 119.96 1h66 h SER 71 Ca 0.18 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1h66 h SER 71 Cb 0.24 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1h66 h SER 71 CO -0.01 1.03 0.04 0.58 -0.87 0.00 0.00 176.83 177.60 1h66 h VAL 72 N 0.89 1.17 -0.68 0.95 2.07 -1.19 0.04 116.25 119.50 1h66 h VAL 72 Ca 0.16 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1h66 h VAL 72 Cb 0.56 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1h66 h VAL 72 CO 0.03 0.16 0.39 0.25 0.02 0.00 0.00 177.57 178.42 1h66 h LEU 73 N 0.04 0.81 -0.81 2.57 5.85 -1.05 -1.13 115.31 121.59 1h66 h LEU 73 Ca 0.04 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1h66 h LEU 73 Cb 0.20 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1h66 h LEU 73 CO -0.00 0.64 -0.35 0.00 -0.34 0.00 0.00 178.44 178.38 1h66 h ALA 74 N 1.50 0.98 0.11 1.25 0.00 -0.79 -1.47 119.26 120.84 1h66 h ALA 74 Ca 0.24 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1h66 h ALA 74 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1h66 h ALA 74 CO -0.04 0.61 -0.05 -0.92 0.00 0.00 0.00 179.25 178.84 1h66 h TYR 75 N 0.40 -0.13 0.00 0.00 3.20 0.16 0.36 116.97 120.96 1h66 h TYR 75 Ca 0.04 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1h66 h TYR 75 Cb 0.81 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1h66 h TYR 75 CO 0.03 0.04 -0.33 0.87 -1.64 0.00 0.00 178.16 177.13 1h66 h LYS 76 N -0.28 0.00 -0.01 1.82 1.57 -1.14 -2.94 116.57 115.59 1h66 h LYS 76 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1h66 h LYS 76 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1h66 h LYS 76 CO 0.02 0.33 -0.37 0.39 -0.57 0.00 0.00 179.45 179.26 1h66 n GLU 77 N -4.14 0.93 -1.65 3.15 1.02 -0.56 -4.98 120.64 114.40 1h66 n GLU 77 Ca -0.02 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 1h66 n GLU 77 Cb 0.37 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1h66 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h66 n GLY 78 N 1.38 0.74 2.57 0.62 0.00 -0.50 -5.02 105.19 104.97 1h66 n GLY 78 Ca 0.11 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 1h66 n GLY 78 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1h66 n HIS 79 N -3.19 1.99 -3.17 1.61 1.44 -0.00 -5.04 115.22 108.85 1h66 n HIS 79 Ca 0.00 -3.15 -0.29 0.00 -2.01 0.00 0.00 57.72 52.27 1h66 n HIS 79 Cb 0.40 -0.30 -0.03 0.00 0.12 0.00 0.00 29.99 30.17 1h66 n HIS 79 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1h66 s LEU 80 N -3.19 3.98 0.31 2.39 1.43 -1.25 -0.74 118.68 121.63 1h66 s LEU 80 Ca 0.37 0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 54.07 1h66 s LEU 80 Cb 0.41 -3.71 -0.13 0.00 0.03 0.00 0.00 46.19 42.79 1h66 s LEU 80 CO -0.06 -0.26 1.05 -0.24 0.23 0.00 0.00 176.35 177.06 1h66 n SER 81 N -1.02 1.50 0.29 2.29 2.88 0.97 -4.68 113.62 115.84 1h66 n SER 81 Ca -0.00 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 58.85 1h66 n SER 81 Cb 0.54 -1.32 0.85 0.00 -0.75 0.00 0.00 64.21 63.52 1h66 n SER 81 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1h66 h PRO 82 N 2.01 0.00 -0.04 -1.46 0.13 -1.95 -2.27 132.00 128.43 1h66 h PRO 82 Ca -0.41 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.57 1h66 h PRO 82 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1h66 h PRO 82 CO 0.60 0.05 -0.65 0.38 -0.23 0.00 0.00 178.00 178.15 1h66 h ASP 83 N 0.00 0.18 -0.19 1.44 2.03 -2.00 -2.23 116.42 115.66 1h66 h ASP 83 Ca -0.00 -0.11 -0.07 0.00 -0.73 0.00 0.00 57.03 56.13 1h66 h ASP 83 Cb 0.12 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1h66 h ASP 83 CO 0.01 0.77 -0.14 0.40 -1.03 0.00 0.00 179.24 179.25 1h66 h ILE 84 N 0.11 1.33 -0.55 4.15 2.04 -1.78 -3.17 117.51 119.63 1h66 h ILE 84 Ca -0.01 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1h66 h ILE 84 Cb 1.16 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 1h66 h ILE 84 CO 0.09 0.38 0.34 0.58 0.00 0.00 0.00 178.15 179.55 1h66 h VAL 85 N 0.09 1.15 -0.38 1.67 2.07 -1.34 -1.57 116.25 117.96 1h66 h VAL 85 Ca 0.03 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1h66 h VAL 85 Cb 0.66 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1h66 h VAL 85 CO 0.04 0.15 -0.00 0.00 0.02 0.00 0.00 177.57 177.78 1h66 h ALA 86 N 1.63 1.29 -0.14 1.67 0.00 -1.40 -0.67 119.26 121.64 1h66 h ALA 86 Ca 0.20 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1h66 h ALA 86 Cb -0.05 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1h66 h ALA 86 CO -0.04 0.48 -0.68 0.93 0.00 0.00 0.00 179.25 179.94 1h66 h GLU 87 N 0.57 0.70 -0.65 0.00 4.39 -1.32 -2.78 114.58 115.49 1h66 h GLU 87 Ca 0.12 -0.57 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 1h66 h GLU 87 Cb 0.37 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1h66 h GLU 87 CO 0.01 1.19 0.31 1.96 -1.16 0.00 0.00 179.01 181.32 1h66 h GLN 88 N 0.40 0.92 -0.48 2.33 4.20 -1.03 -1.26 115.11 120.18 1h66 h GLN 88 Ca -0.04 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1h66 h GLN 88 Cb 1.31 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 1h66 h GLN 88 CO 0.14 0.71 0.08 0.87 -0.67 0.00 0.00 178.83 179.96 1h66 h LYS 89 N 0.91 0.75 -0.48 1.46 1.57 -1.08 -1.38 116.57 118.33 1h66 h LYS 89 Ca 0.23 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1h66 h LYS 89 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1h66 h LYS 89 CO -0.03 0.71 -0.11 0.87 -0.57 0.00 0.00 179.45 180.31 1h66 h LYS 90 N 0.72 0.92 -0.27 3.15 1.57 -0.99 -2.53 116.57 119.15 1h66 h LYS 90 Ca 0.16 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1h66 h LYS 90 Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1h66 h LYS 90 CO 0.00 1.00 0.10 -0.07 -0.57 0.00 0.00 179.45 179.91 1h66 h LEU 91 N 0.76 0.38 -1.41 2.94 3.38 -0.96 -2.09 115.31 118.31 1h66 h LEU 91 Ca 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1h66 h LEU 91 Cb 0.67 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1h66 h LEU 91 CO 0.05 0.46 0.38 -0.33 0.09 0.00 0.00 178.44 179.09 1h66 h GLU 92 N 0.27 0.78 -0.04 1.13 5.08 -1.24 -2.56 114.58 118.00 1h66 h GLU 92 Ca 0.09 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1h66 h GLU 92 Cb 0.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1h66 h GLU 92 CO -0.01 0.52 -0.66 0.00 -1.00 0.00 0.00 179.01 177.87 1h66 h ALA 93 N 1.63 0.83 -2.48 3.43 0.00 -1.19 -3.46 119.26 118.02 1h66 h ALA 93 Ca 0.21 -0.58 -0.47 0.00 0.00 0.00 0.00 54.91 54.07 1h66 h ALA 93 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1h66 h ALA 93 CO -0.05 0.78 0.38 0.00 0.00 0.00 0.00 179.25 180.36 1h66 s ALA 94 N -3.61 3.18 -0.26 0.00 0.00 -0.81 -4.79 121.76 115.46 1h66 s ALA 94 Ca -0.03 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 1h66 s ALA 94 Cb 0.12 -3.22 -0.16 0.00 0.00 0.00 0.00 23.12 19.86 1h66 s ALA 94 CO 0.79 0.02 -0.26 -0.25 0.00 0.00 0.00 175.76 176.07 1h66 n ASP 95 N 0.35 1.98 -4.36 0.00 8.00 -0.26 -4.91 116.55 117.35 1h66 n ASP 95 Ca 0.03 -0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 1h66 n ASP 95 Cb 0.50 -0.51 -0.15 0.00 -0.02 0.00 0.00 41.12 40.94 1h66 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1h66 s LEU 96 N -6.75 2.55 -0.15 0.64 2.96 -0.79 -1.52 118.68 115.63 1h66 s LEU 96 Ca -0.36 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 1h66 s LEU 96 Cb 0.10 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.27 1h66 s LEU 96 CO 0.58 0.21 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.99 1h66 s VAL 97 N 0.08 1.50 -0.14 1.68 1.01 -0.54 -0.82 120.40 123.17 1h66 s VAL 97 Ca -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1h66 s VAL 97 Cb -0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1h66 s VAL 97 CO 0.05 0.43 -0.04 -0.63 0.00 0.00 0.00 175.10 174.91 1h66 s ILE 98 N 1.51 3.88 -0.30 2.22 1.01 -0.12 -1.38 121.20 128.03 1h66 s ILE 98 Ca 0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 1h66 s ILE 98 Cb -0.13 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.70 1h66 s ILE 98 CO -0.10 0.51 0.02 -0.36 0.00 0.00 0.00 174.94 175.01 1h66 s PHE 99 N 0.16 3.22 -0.24 3.97 0.08 -0.13 -0.17 117.98 124.87 1h66 s PHE 99 Ca -0.02 -1.64 -0.08 0.00 0.12 0.00 0.00 56.93 55.32 1h66 s PHE 99 Cb -0.14 -2.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 1h66 s PHE 99 CO 0.03 -0.76 0.09 -1.14 -0.10 0.00 0.00 175.22 173.35 1h66 s GLN 100 N 1.32 3.77 -0.06 0.44 2.00 0.26 -0.30 119.66 127.09 1h66 s GLN 100 Ca -0.03 -0.42 -0.29 0.00 -2.00 0.00 0.00 55.36 52.61 1h66 s GLN 100 Cb -0.19 -3.37 0.11 0.00 0.80 0.00 0.00 33.01 30.35 1h66 s GLN 100 CO -0.00 -0.11 0.90 -0.59 -0.50 0.00 0.00 175.29 174.98 1h66 s PHE 101 N 1.44 -0.39 0.19 1.67 -0.71 -0.77 -1.66 117.98 117.74 1h66 s PHE 101 Ca 0.06 0.46 -0.22 0.00 -1.04 0.00 0.00 56.93 56.19 1h66 s PHE 101 Cb -0.15 0.49 -0.08 0.00 -1.21 0.00 0.00 43.02 42.08 1h66 s PHE 101 CO 0.05 -0.49 0.73 -1.25 -1.34 0.00 0.00 175.22 172.92 1h66 s PRO 102 N -2.23 4.36 0.14 1.99 0.04 -1.26 -2.12 135.00 135.92 1h66 s PRO 102 Ca 0.01 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 61.70 1h66 s PRO 102 Cb -0.01 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 1h66 s PRO 102 CO -0.03 0.48 1.43 -1.17 0.04 0.00 0.00 177.00 177.75 1h66 s LEU 103 N -1.59 4.37 -0.11 -3.56 2.96 0.92 -4.52 118.68 117.15 1h66 s LEU 103 Ca 0.39 2.42 -0.01 0.00 -0.22 0.00 0.00 54.13 56.71 1h66 s LEU 103 Cb -0.19 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.94 1h66 s LEU 103 CO 0.23 -0.69 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.43 1h66 s GLN 104 N 0.97 1.12 -1.23 1.98 -0.21 -0.70 -4.80 119.66 116.79 1h66 s GLN 104 Ca 0.65 -0.19 -0.16 0.00 0.02 0.00 0.00 55.36 55.68 1h66 s GLN 104 Cb -0.39 -1.49 -0.00 0.00 1.00 0.00 0.00 33.01 32.13 1h66 s GLN 104 CO 0.32 -0.34 0.67 0.91 -2.12 0.00 0.00 175.29 174.72 1h66 n TRP 105 N 5.01 -1.77 -3.44 0.91 7.02 -1.26 -1.82 117.44 122.09 1h66 n TRP 105 Ca -0.10 0.50 -0.23 0.00 -1.02 0.00 0.00 57.50 56.64 1h66 n TRP 105 Cb 0.49 -3.47 -0.02 0.00 -2.42 0.00 0.00 31.31 25.90 1h66 n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1h66 n PHE 106 N -4.35 -1.71 -2.25 -5.99 3.01 -1.26 -4.84 117.46 100.07 1h66 n PHE 106 Ca -0.16 0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.74 1h66 n PHE 106 Cb 0.62 -2.53 0.00 0.00 -0.01 0.00 0.00 39.48 37.56 1h66 n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h66 n GLY 107 N -1.07 2.80 3.82 1.37 0.00 -0.76 -4.96 105.19 106.40 1h66 n GLY 107 Ca 0.01 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 1h66 n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h66 s VAL 108 N -2.98 4.54 0.68 1.61 1.01 -1.26 -1.72 120.40 122.28 1h66 s VAL 108 Ca 0.00 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 1h66 s VAL 108 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1h66 s VAL 108 CO 0.00 0.00 1.28 -2.65 0.00 0.00 0.00 175.10 173.73 1h66 n PRO 109 N 0.17 0.93 -0.33 2.72 -0.02 -1.26 -4.73 135.00 132.47 1h66 n PRO 109 Ca 0.01 0.38 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 1h66 n PRO 109 Cb 0.52 -2.52 0.36 0.00 -0.02 0.00 0.00 33.50 31.84 1h66 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h66 h ALA 110 N 0.24 1.79 0.00 3.55 0.00 -1.96 -1.19 119.26 121.70 1h66 h ALA 110 Ca -0.50 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1h66 h ALA 110 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1h66 h ALA 110 CO 0.52 -0.15 -0.25 0.97 0.00 0.00 0.00 179.25 180.33 1h66 h ILE 111 N 0.69 0.85 0.15 0.00 2.10 -1.95 -1.38 117.51 117.97 1h66 h ILE 111 Ca 0.56 -0.99 -0.32 0.00 1.08 0.00 0.00 64.86 65.20 1h66 h ILE 111 Cb 0.97 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 38.29 1h66 h ILE 111 CO -0.34 0.25 -1.53 0.25 -1.08 0.00 0.00 178.15 175.70 1h66 h LEU 112 N 0.00 0.51 -1.09 2.19 6.46 -1.59 -2.99 115.31 118.80 1h66 h LEU 112 Ca -0.00 -0.66 -0.03 0.00 -0.12 0.00 0.00 57.88 57.06 1h66 h LEU 112 Cb 0.57 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1h66 h LEU 112 CO 0.03 1.54 0.24 0.50 -0.62 0.00 0.00 178.44 180.13 1h66 h LYS 113 N 0.09 0.88 0.00 1.25 1.63 -1.13 -1.64 116.57 117.65 1h66 h LYS 113 Ca -0.25 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.34 1h66 h LYS 113 Cb 2.05 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 33.52 1h66 h LYS 113 CO 0.19 0.72 -0.35 0.78 -3.45 0.00 0.00 179.45 177.34 1h66 h GLY 114 N 0.98 0.00 0.94 5.01 0.00 -1.32 -2.25 103.07 106.43 1h66 h GLY 114 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.44 1h66 h GLY 114 CO -0.02 0.00 -0.19 -0.25 0.00 0.00 0.00 176.54 176.08 1h66 h TRP 115 N 0.00 0.78 -0.31 5.60 7.01 -1.16 -1.60 115.95 126.26 1h66 h TRP 115 Ca -0.00 -0.21 -0.02 0.00 2.11 0.00 0.00 58.89 60.77 1h66 h TRP 115 Cb 0.78 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 1h66 h TRP 115 CO 0.00 0.92 0.10 0.74 -2.79 0.00 0.00 178.44 177.41 1h66 h PHE 116 N 0.42 0.49 -0.70 2.65 0.04 -1.17 0.30 116.94 118.97 1h66 h PHE 116 Ca 0.06 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1h66 h PHE 116 Cb 0.74 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 1h66 h PHE 116 CO 0.06 0.49 0.39 0.93 -0.60 0.00 0.00 178.31 179.59 1h66 h GLU 117 N 0.34 0.97 0.06 1.51 5.08 -1.36 -0.88 114.58 120.30 1h66 h GLU 117 Ca 0.10 -0.11 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1h66 h GLU 117 Cb 0.23 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1h66 h GLU 117 CO -0.00 0.72 -1.26 0.00 -1.00 0.00 0.00 179.01 177.47 1h66 h ARG 118 N 0.96 0.12 0.13 2.33 3.08 -1.24 -3.40 114.38 116.36 1h66 h ARG 118 Ca 0.25 -0.21 -0.36 0.00 0.07 0.00 0.00 59.98 59.73 1h66 h ARG 118 Cb 0.03 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1h66 h ARG 118 CO -0.04 1.02 -1.93 0.28 -1.07 0.00 0.00 179.97 178.23 1h66 h VAL 119 N 0.03 0.69 -0.08 2.04 2.07 -0.89 -3.41 116.25 116.71 1h66 h VAL 119 Ca -0.12 -2.37 -0.70 0.00 0.82 0.00 0.00 66.70 64.33 1h66 h VAL 119 Cb 1.90 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 34.18 1h66 h VAL 119 CO 0.15 0.88 3.02 0.49 0.02 0.00 0.00 177.57 182.13 1h66 n PHE 120 N -3.53 3.57 -2.83 1.57 3.01 -0.34 -4.86 117.46 114.05 1h66 n PHE 120 Ca -0.31 -2.92 -0.33 0.00 1.01 0.00 0.00 57.45 54.91 1h66 n PHE 120 Cb 1.04 -2.53 -0.07 0.00 -0.01 0.00 0.00 39.48 37.91 1h66 n PHE 120 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1h66 s ILE 121 N 3.39 4.45 0.65 4.37 -1.09 -1.26 -4.80 121.20 126.90 1h66 s ILE 121 Ca 0.48 1.38 -0.18 0.00 -2.23 0.00 0.00 60.65 60.10 1h66 s ILE 121 Cb 0.13 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 1h66 s ILE 121 CO -0.07 -0.34 1.04 0.61 -1.23 0.00 0.00 174.94 174.96 1h66 n GLY 122 N -0.69 -0.14 4.83 6.18 0.00 -1.26 -0.73 105.19 113.37 1h66 n GLY 122 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1h66 n GLY 122 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h66 n GLU 123 N -1.47 0.00 0.05 1.61 4.07 0.16 -4.50 120.64 120.56 1h66 n GLU 123 Ca 0.14 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.12 1h66 n GLU 123 Cb 0.48 -0.01 -0.08 0.00 -0.06 0.00 0.00 31.44 31.77 1h66 n GLU 123 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1h66 h PHE 124 N 0.00 -0.17 0.00 4.31 3.57 -1.91 -3.39 116.94 119.35 1h66 h PHE 124 Ca 0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1h66 h PHE 124 Cb 0.00 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1h66 h PHE 124 CO 0.00 0.28 -2.04 0.00 -2.23 0.00 0.00 178.31 174.33 1h66 n ALA 125 N -2.50 2.47 -3.20 2.41 0.00 0.09 -4.82 120.51 114.95 1h66 n ALA 125 Ca -0.08 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.55 1h66 n ALA 125 Cb 0.27 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1h66 n ALA 125 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1h66 s TYR 126 N -3.26 -0.34 -0.03 0.00 1.13 -1.25 -4.34 117.35 109.26 1h66 s TYR 126 Ca -0.08 0.06 -0.02 0.00 -1.41 0.00 0.00 57.07 55.63 1h66 s TYR 126 Cb 0.12 0.40 0.02 0.00 -1.10 0.00 0.00 41.96 41.39 1h66 s TYR 126 CO 0.88 -0.78 0.07 0.99 -2.51 0.00 0.00 175.55 174.20 1h66 s THR 127 N -3.79 -0.02 -0.05 -3.49 2.01 -1.26 0.40 115.64 109.44 1h66 s THR 127 Ca 0.03 0.08 0.31 0.00 0.31 0.00 0.00 61.69 62.42 1h66 s THR 127 Cb 0.00 -0.11 0.36 0.00 0.01 0.00 0.00 72.50 72.76 1h66 s THR 127 CO -0.12 0.03 1.91 1.88 -0.69 0.00 0.00 174.62 177.64 1h66 h TYR 128 N 6.54 0.00 0.00 4.92 0.99 -2.00 -2.22 116.97 125.19 1h66 h TYR 128 Ca -0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.41 1h66 h TYR 128 Cb 1.18 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.91 1h66 h TYR 128 CO 0.43 0.00 -0.39 0.00 -0.00 0.00 0.00 178.16 178.20 1h66 h ALA 129 N 2.07 0.77 -1.81 3.88 0.00 -1.97 -3.38 119.26 118.82 1h66 h ALA 129 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1h66 h ALA 129 Cb 0.50 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.92 1h66 h ALA 129 CO 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 179.25 178.19 1h66 n ALA 130 N -1.96 2.00 -1.64 0.00 0.00 -0.86 -5.10 120.51 112.96 1h66 n ALA 130 Ca 0.03 -3.21 -0.30 0.00 0.00 0.00 0.00 53.44 49.96 1h66 n ALA 130 Cb 0.48 -0.88 0.07 0.00 0.00 0.00 0.00 19.45 19.13 1h66 n ALA 130 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1h66 s MET 131 N -1.21 2.47 1.31 0.00 1.00 -1.08 -2.51 119.30 119.28 1h66 s MET 131 Ca 0.35 0.67 0.00 0.00 0.00 0.00 0.00 55.69 56.71 1h66 s MET 131 Cb 0.21 -1.96 0.00 0.00 0.00 0.00 0.00 34.83 33.08 1h66 s MET 131 CO -0.12 -1.36 0.00 0.66 0.00 0.00 0.00 175.02 174.21 1h66 n TYR 132 N -3.26 0.00 0.12 -0.03 4.01 -0.86 -2.31 117.16 114.83 1h66 n TYR 132 Ca 0.07 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.86 1h66 n TYR 132 Cb 0.56 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.88 1h66 n TYR 132 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1h66 n ASP 133 N 2.59 0.28 -1.06 7.72 5.68 -1.26 -0.25 116.55 130.25 1h66 n ASP 133 Ca 0.00 0.53 0.08 0.00 -0.50 0.00 0.00 54.79 54.90 1h66 n ASP 133 Cb 0.00 -0.51 0.26 0.00 -1.14 0.00 0.00 41.12 39.74 1h66 n ASP 133 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1h66 n LYS 134 N -1.88 3.25 -1.04 0.11 5.02 -0.98 -4.80 118.16 117.84 1h66 n LYS 134 Ca -0.01 -2.66 -0.29 0.00 -2.02 0.00 0.00 58.31 53.34 1h66 n LYS 134 Cb 0.23 -1.73 0.21 0.00 -0.02 0.00 0.00 35.03 33.72 1h66 n LYS 134 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h66 s GLY 135 N -1.35 1.56 0.54 0.72 0.00 0.66 -4.69 107.32 104.76 1h66 s GLY 135 Ca 0.40 -0.50 0.20 0.00 0.00 0.00 0.00 44.72 44.82 1h66 s GLY 135 CO 0.15 0.21 2.18 -2.55 0.00 0.00 0.00 173.10 173.09 1h66 h PRO 136 N -2.23 0.00 -0.75 2.90 0.11 -1.67 -2.81 132.00 127.54 1h66 h PRO 136 Ca -0.53 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.36 1h66 h PRO 136 Cb 1.33 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.31 1h66 h PRO 136 CO 0.51 0.00 0.27 1.19 -0.21 0.00 0.00 178.00 179.76 1h66 n PHE 137 N -4.34 2.51 0.31 0.65 3.72 -0.29 -4.60 117.46 115.43 1h66 n PHE 137 Ca -0.03 -1.19 0.21 0.00 -0.05 0.00 0.00 57.45 56.39 1h66 n PHE 137 Cb 0.09 -0.70 1.08 0.00 -0.94 0.00 0.00 39.48 39.02 1h66 n PHE 137 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1h66 h ARG 138 N 2.78 0.00 -0.26 -1.08 0.11 -1.31 -0.08 114.38 114.53 1h66 h ARG 138 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 1h66 h ARG 138 Cb 2.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.44 1h66 h ARG 138 CO 0.75 0.00 0.00 0.43 0.10 0.00 0.00 179.97 181.25 1h66 n SER 139 N -2.96 2.80 -4.76 0.08 7.64 -1.26 -4.71 113.62 110.46 1h66 n SER 139 Ca -0.02 -1.89 -0.22 0.00 1.01 0.00 0.00 58.87 57.74 1h66 n SER 139 Cb 0.09 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.07 1h66 n SER 139 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h66 s LYS 140 N -1.67 2.63 -0.02 1.43 1.02 -0.05 -4.96 119.74 118.13 1h66 s LYS 140 Ca 0.35 -1.25 0.05 0.00 0.02 0.00 0.00 55.97 55.14 1h66 s LYS 140 Cb 0.21 -2.38 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1h66 s LYS 140 CO 0.30 0.33 -0.17 0.15 -0.92 0.00 0.00 175.35 175.04 1h66 s LYS 141 N -3.80 1.41 0.12 1.68 1.02 -0.57 -1.69 119.74 117.90 1h66 s LYS 141 Ca 0.34 -0.60 0.09 0.00 0.02 0.00 0.00 55.97 55.82 1h66 s LYS 141 Cb -0.07 -1.34 -0.04 0.00 -0.52 0.00 0.00 37.83 35.86 1h66 s LYS 141 CO 0.23 0.34 -0.23 0.00 -0.92 0.00 0.00 175.35 174.78 1h66 s ALA 142 N -0.33 2.01 -0.03 5.17 0.00 -0.38 -1.47 121.76 126.73 1h66 s ALA 142 Ca 0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 1h66 s ALA 142 Cb -0.07 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1h66 s ALA 142 CO -0.00 0.41 0.08 0.08 0.00 0.00 0.00 175.76 176.33 1h66 s VAL 143 N -1.20 -0.01 -0.19 0.00 1.01 -0.48 -1.22 120.40 118.31 1h66 s VAL 143 Ca 0.10 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1h66 s VAL 143 Cb -0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1h66 s VAL 143 CO 0.05 0.02 0.08 -0.76 0.00 0.00 0.00 175.10 174.49 1h66 s LEU 144 N 0.30 3.91 -0.32 3.92 1.43 -1.26 -0.95 118.68 125.71 1h66 s LEU 144 Ca -0.02 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1h66 s LEU 144 Cb -0.03 -2.00 0.07 0.00 0.03 0.00 0.00 46.19 44.26 1h66 s LEU 144 CO -0.01 0.17 0.02 -0.55 0.23 0.00 0.00 176.35 176.21 1h66 s SER 145 N 0.41 4.81 0.03 2.29 0.15 0.58 -0.31 113.70 121.66 1h66 s SER 145 Ca 0.04 -1.63 0.06 0.00 0.70 0.00 0.00 55.95 55.12 1h66 s SER 145 Cb -0.12 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 1h66 s SER 145 CO -0.00 -0.32 -0.13 -0.63 1.20 0.00 0.00 173.24 173.36 1h66 s ILE 146 N 1.12 3.13 0.11 6.45 1.01 0.39 -1.85 121.20 131.55 1h66 s ILE 146 Ca -0.00 -1.03 0.10 0.00 0.00 0.00 0.00 60.65 59.71 1h66 s ILE 146 Cb -0.20 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1h66 s ILE 146 CO -0.04 0.35 -0.23 0.42 0.00 0.00 0.00 174.94 175.44 1h66 s THR 147 N -0.96 2.48 0.16 2.92 -4.23 -0.90 -0.96 115.64 114.15 1h66 s THR 147 Ca 0.16 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1h66 s THR 147 Cb -0.11 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1h66 s THR 147 CO 0.06 0.14 0.04 0.28 -0.54 0.00 0.00 174.62 174.61 1h66 s THR 148 N -1.05 0.35 -0.18 3.99 -1.32 -0.85 -0.06 115.64 116.52 1h66 s THR 148 Ca 0.15 -1.94 -0.18 0.00 -1.21 0.00 0.00 61.69 58.51 1h66 s THR 148 Cb -0.10 -2.12 -0.15 0.00 -1.51 0.00 0.00 72.50 68.62 1h66 s THR 148 CO 0.07 -0.43 0.15 1.23 -2.21 0.00 0.00 174.62 173.43 1h66 h GLY 149 N 2.77 0.00 -2.28 6.08 0.00 -1.90 -1.87 103.07 105.86 1h66 h GLY 149 Ca -0.36 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.45 1h66 h GLY 149 CO 0.60 0.00 0.47 -0.32 0.00 0.00 0.00 176.54 177.30 1h66 s GLY 150 N -4.59 2.73 0.77 4.60 0.00 -1.26 -3.65 107.32 105.92 1h66 s GLY 150 Ca -0.23 0.97 -0.11 0.00 0.00 0.00 0.00 44.72 45.35 1h66 s GLY 150 CO 0.48 1.37 1.08 -1.35 0.00 0.00 0.00 173.10 174.68 1h66 s SER 151 N -1.54 4.60 0.44 1.64 1.04 -1.26 -2.25 113.70 116.37 1h66 s SER 151 Ca 0.73 1.64 0.11 0.00 0.48 0.00 0.00 55.95 58.90 1h66 s SER 151 Cb -0.29 -2.39 1.00 0.00 0.10 0.00 0.00 66.02 64.44 1h66 s SER 151 CO 0.33 -1.94 2.07 1.23 0.98 0.00 0.00 173.24 175.91 1h66 h GLY 152 N -1.07 0.41 1.27 7.32 0.00 -1.95 -2.15 103.07 106.91 1h66 h GLY 152 Ca -0.45 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 1h66 h GLY 152 CO 0.55 0.14 0.13 1.48 0.00 0.00 0.00 176.54 178.83 1h66 h SER 153 N 0.38 0.86 -0.02 0.19 4.64 -1.97 -1.74 113.55 115.88 1h66 h SER 153 Ca 0.13 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1h66 h SER 153 Cb 0.05 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1h66 h SER 153 CO -0.03 0.84 0.03 0.24 -0.87 0.00 0.00 176.83 177.04 1h66 h MET 154 N 0.87 0.00 -0.47 4.77 2.07 -1.75 -2.02 114.93 118.39 1h66 h MET 154 Ca 0.19 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 1h66 h MET 154 Cb 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.07 1h66 h MET 154 CO 0.00 0.00 0.00 0.66 1.07 0.00 0.00 176.91 178.64 1h66 n TYR 155 N -3.65 0.62 -2.04 -0.22 4.01 -0.69 -1.33 117.16 113.87 1h66 n TYR 155 Ca -0.03 -0.41 -0.29 0.00 -0.16 0.00 0.00 57.90 57.02 1h66 n TYR 155 Cb 0.11 -0.01 0.16 0.00 -0.31 0.00 0.00 39.34 39.29 1h66 n TYR 155 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1h66 s SER 156 N -1.09 3.47 0.49 7.72 1.04 -0.76 -1.88 113.70 122.69 1h66 s SER 156 Ca 0.35 0.21 0.19 0.00 0.48 0.00 0.00 55.95 57.17 1h66 s SER 156 Cb 0.19 -0.36 1.22 0.00 0.10 0.00 0.00 66.02 67.17 1h66 s SER 156 CO 0.25 -2.50 2.01 -0.07 0.98 0.00 0.00 173.24 173.92 1h66 h LEU 157 N -1.39 0.16 -2.87 2.42 3.38 -1.87 -1.91 115.31 113.24 1h66 h LEU 157 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1h66 h LEU 157 Cb 1.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1h66 h LEU 157 CO 0.41 0.10 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1h66 n GLN 158 N -4.45 2.90 -2.70 1.13 0.00 -1.26 -4.70 117.38 108.31 1h66 n GLN 158 Ca 0.08 -2.44 -0.32 0.00 0.00 0.00 0.00 57.00 54.32 1h66 n GLN 158 Cb 0.42 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 29.13 1h66 n GLN 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1h66 s GLY 159 N -1.03 2.11 0.49 2.61 0.00 -0.72 -4.97 107.32 105.82 1h66 s GLY 159 Ca 0.38 0.08 0.18 0.00 0.00 0.00 0.00 44.72 45.36 1h66 s GLY 159 CO 0.24 0.32 2.04 0.16 0.00 0.00 0.00 173.10 175.86 1h66 h ILE 160 N 1.26 0.88 0.00 0.90 -0.00 -1.82 -1.55 117.51 117.18 1h66 h ILE 160 Ca -0.47 -0.05 -0.07 0.00 -0.00 0.00 0.00 64.86 64.26 1h66 h ILE 160 Cb 1.18 0.73 -0.01 0.00 -0.00 0.00 0.00 36.82 38.72 1h66 h ILE 160 CO 0.63 0.03 -0.35 0.45 -0.00 0.00 0.00 178.15 178.91 1h66 h HIS 161 N 0.15 0.00 0.00 0.16 3.86 -1.56 -3.50 115.15 114.26 1h66 h HIS 161 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1h66 h HIS 161 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1h66 h HIS 161 CO -0.00 0.35 0.00 0.41 0.86 0.00 0.00 177.93 179.55 1h66 n GLY 162 N 0.73 0.37 3.65 2.45 0.00 -0.59 -4.94 105.19 106.86 1h66 n GLY 162 Ca 0.01 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1h66 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h66 s ASP 163 N -0.51 6.34 0.58 1.61 2.15 -1.25 -4.14 116.67 121.46 1h66 s ASP 163 Ca 0.00 2.38 0.28 0.00 0.43 0.00 0.00 52.55 55.63 1h66 s ASP 163 Cb 0.00 -2.53 1.66 0.00 -0.30 0.00 0.00 42.92 41.75 1h66 s ASP 163 CO 0.00 -1.18 2.15 -0.03 -0.17 0.00 0.00 175.17 175.94 1h66 h MET 164 N 11.05 0.00 -0.19 4.34 1.85 -1.68 -1.20 114.93 129.10 1h66 h MET 164 Ca -0.45 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.62 1h66 h MET 164 Cb 1.22 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.24 1h66 h MET 164 CO 0.95 0.00 0.04 -0.91 -0.40 0.00 0.00 176.91 176.59 1h66 h ASN 165 N 0.00 0.24 -0.22 1.39 2.35 -1.90 -1.42 115.58 116.02 1h66 h ASN 165 Ca 0.06 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.59 1h66 h ASN 165 Cb 0.32 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1h66 h ASN 165 CO -0.00 0.26 -0.62 0.58 -1.65 0.00 0.00 177.43 176.00 1h66 h VAL 166 N 0.27 1.28 -0.60 2.81 2.07 -1.61 -2.79 116.25 117.68 1h66 h VAL 166 Ca 0.07 -1.81 -0.08 0.00 0.82 0.00 0.00 66.70 65.70 1h66 h VAL 166 Cb 0.12 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1h66 h VAL 166 CO -0.00 0.58 0.06 0.40 0.02 0.00 0.00 177.57 178.63 1h66 h ILE 167 N 0.62 1.26 -0.15 4.57 2.04 -1.41 -3.17 117.51 121.27 1h66 h ILE 167 Ca -0.01 -1.04 -0.14 0.00 1.00 0.00 0.00 64.86 64.67 1h66 h ILE 167 Cb 1.23 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1h66 h ILE 167 CO 0.13 0.38 -0.51 -0.07 0.00 0.00 0.00 178.15 178.09 1h66 h LEU 168 N 0.93 0.45 -0.55 1.44 3.38 -1.26 -3.37 115.31 116.32 1h66 h LEU 168 Ca 0.18 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.03 1h66 h LEU 168 Cb 0.46 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 1h66 h LEU 168 CO 0.02 0.88 -0.33 -0.25 0.09 0.00 0.00 178.44 178.85 1h66 h TRP 169 N 0.32 -0.90 -0.92 1.13 2.91 -1.46 -1.36 115.95 115.68 1h66 h TRP 169 Ca 0.01 0.07 0.15 0.00 1.13 0.00 0.00 58.89 60.25 1h66 h TRP 169 Cb 1.00 0.48 -0.08 0.00 -0.51 0.00 0.00 29.16 30.05 1h66 h TRP 169 CO 0.03 -0.38 0.59 -1.35 -1.03 0.00 0.00 178.44 176.30 1h66 h PRO 170 N -0.17 0.68 0.06 2.65 0.11 -1.76 0.74 132.00 134.32 1h66 h PRO 170 Ca 0.22 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1h66 h PRO 170 Cb 0.54 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1h66 h PRO 170 CO -0.65 0.45 -0.03 0.82 -0.21 0.00 0.00 178.00 178.38 1h66 h ILE 171 N 0.70 0.72 -0.33 4.15 5.03 -1.65 -2.49 117.51 123.65 1h66 h ILE 171 Ca 0.47 -1.41 -0.06 0.00 -0.12 0.00 0.00 64.86 63.74 1h66 h ILE 171 Cb 0.76 1.33 -0.01 0.00 -3.03 0.00 0.00 36.82 35.87 1h66 h ILE 171 CO -0.23 0.23 -0.04 1.56 -0.68 0.00 0.00 178.15 178.99 1h66 h GLN 172 N -0.98 0.60 0.00 2.37 4.20 -1.18 -1.71 115.11 118.42 1h66 h GLN 172 Ca -0.01 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.40 1h66 h GLN 172 Cb 0.44 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1h66 h GLN 172 CO 0.01 0.76 -0.56 1.03 -0.67 0.00 0.00 178.83 179.40 1h66 h SER 173 N 0.39 0.00 -0.58 1.46 0.87 -1.05 -0.70 113.55 113.95 1h66 h SER 173 Ca 0.09 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 1h66 h SER 173 Cb 0.51 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 1h66 h SER 173 CO 0.02 1.05 0.23 1.23 -0.53 0.00 0.00 176.83 178.84 1h66 h GLY 174 N -1.00 0.93 0.00 5.77 0.00 -1.36 -1.80 103.07 105.61 1h66 h GLY 174 Ca -0.13 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 1h66 h GLY 174 CO -0.08 0.47 -0.82 1.39 0.00 0.00 0.00 176.54 177.51 1h66 n ILE 175 N -4.48 1.46 0.15 2.60 5.41 -0.81 -4.25 119.36 119.43 1h66 n ILE 175 Ca 0.03 0.14 -0.11 0.00 1.00 0.00 0.00 62.75 63.81 1h66 n ILE 175 Cb 0.16 -2.32 -0.07 0.00 -0.71 0.00 0.00 39.64 36.70 1h66 n ILE 175 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1h66 h LEU 176 N -1.00 -0.37 -0.99 1.39 3.38 -1.41 -3.29 115.31 113.02 1h66 h LEU 176 Ca -0.07 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1h66 h LEU 176 Cb 0.77 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1h66 h LEU 176 CO -0.04 0.09 -0.20 -0.74 0.09 0.00 0.00 178.44 177.64 1h66 h HIS 177 N -0.96 0.55 -0.48 1.13 2.76 -1.09 -2.57 115.15 114.49 1h66 h HIS 177 Ca -0.04 -0.10 0.13 0.00 -2.20 0.00 0.00 60.37 58.15 1h66 h HIS 177 Cb 0.51 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 1h66 h HIS 177 CO 0.04 0.67 0.34 0.35 -1.30 0.00 0.00 177.93 178.03 1h66 h PHE 178 N 0.45 0.09 -0.01 5.26 3.04 -1.44 0.30 116.94 124.63 1h66 h PHE 178 Ca 0.07 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1h66 h PHE 178 Cb 0.60 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1h66 h PHE 178 CO 0.02 0.04 -0.12 0.00 -2.02 0.00 0.00 178.31 176.22 1h66 n GLY 180 N 1.26 0.55 3.73 0.00 0.00 0.11 -1.14 105.19 109.69 1h66 n GLY 180 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1h66 n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h66 n PHE 181 N -1.30 2.39 -3.17 1.61 3.72 -1.00 -2.77 117.46 116.94 1h66 n PHE 181 Ca 0.00 0.47 -0.40 0.00 -0.05 0.00 0.00 57.45 57.47 1h66 n PHE 181 Cb 0.00 -2.41 -0.07 0.00 -0.94 0.00 0.00 39.48 36.06 1h66 n PHE 181 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1h66 s GLN 182 N -2.31 4.11 -0.27 -1.08 -0.21 -0.68 -4.33 119.66 114.89 1h66 s GLN 182 Ca 0.61 0.45 -0.13 0.00 0.02 0.00 0.00 55.36 56.31 1h66 s GLN 182 Cb -0.48 -3.64 -0.04 0.00 1.00 0.00 0.00 33.01 29.84 1h66 s GLN 182 CO 0.58 -0.36 0.29 0.08 -2.12 0.00 0.00 175.29 173.76 1h66 s VAL 183 N 2.33 5.24 0.64 1.09 1.01 -1.26 -1.25 120.40 128.20 1h66 s VAL 183 Ca 0.24 0.38 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 1h66 s VAL 183 Cb -0.16 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1h66 s VAL 183 CO 0.09 0.20 0.94 -0.76 0.00 0.00 0.00 175.10 175.57 1h66 s LEU 184 N 1.90 3.04 0.25 3.92 1.43 -0.36 -0.50 118.68 128.35 1h66 s LEU 184 Ca 0.11 0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 53.40 1h66 s LEU 184 Cb -0.16 -3.24 -0.13 0.00 0.03 0.00 0.00 46.19 42.69 1h66 s LEU 184 CO 0.10 -1.33 1.51 -0.62 0.23 0.00 0.00 176.35 176.24 1h66 n GLU 185 N -2.71 2.32 -2.29 1.70 1.02 -1.26 -4.68 120.64 114.73 1h66 n GLU 185 Ca 0.07 0.83 -0.34 0.00 -0.02 0.00 0.00 57.16 57.69 1h66 n GLU 185 Cb 0.59 -2.55 -0.01 0.00 -0.02 0.00 0.00 31.44 29.45 1h66 n GLU 185 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1h66 s PRO 186 N -0.20 3.49 -0.44 3.49 0.04 -1.26 -4.71 135.00 135.41 1h66 s PRO 186 Ca 0.68 1.40 -0.17 0.00 0.04 0.00 0.00 61.00 62.95 1h66 s PRO 186 Cb -0.59 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 31.94 1h66 s PRO 186 CO 0.47 -0.70 0.42 -1.14 0.04 0.00 0.00 177.00 176.09 1h66 s GLN 187 N -3.51 3.04 -0.25 4.56 2.00 0.58 -5.00 119.66 121.08 1h66 s GLN 187 Ca 0.68 -0.99 -0.07 0.00 -2.00 0.00 0.00 55.36 52.98 1h66 s GLN 187 Cb -0.19 -4.03 -0.02 0.00 0.80 0.00 0.00 33.01 29.58 1h66 s GLN 187 CO 0.27 -0.92 0.05 -0.51 -0.50 0.00 0.00 175.29 173.68 1h66 s LEU 188 N 1.97 3.42 -0.41 3.68 1.43 -1.26 -0.46 118.68 127.04 1h66 s LEU 188 Ca 0.09 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1h66 s LEU 188 Cb -0.20 -1.88 0.11 0.00 0.03 0.00 0.00 46.19 44.25 1h66 s LEU 188 CO 0.11 -0.06 0.15 0.42 0.23 0.00 0.00 176.35 177.20 1h66 s THR 189 N 1.57 2.65 0.50 5.49 -4.23 -0.13 -5.00 115.64 116.49 1h66 s THR 189 Ca 0.06 -2.54 -0.20 0.00 -1.18 0.00 0.00 61.69 57.82 1h66 s THR 189 Cb -0.15 -2.88 -0.08 0.00 1.34 0.00 0.00 72.50 70.73 1h66 s THR 189 CO 0.02 -0.68 1.07 -0.31 -0.54 0.00 0.00 174.62 174.19 1h66 s TYR 190 N 0.63 2.89 -0.88 3.99 2.02 -1.26 -2.02 117.35 122.72 1h66 s TYR 190 Ca 0.12 1.57 -0.17 0.00 -0.37 0.00 0.00 57.07 58.22 1h66 s TYR 190 Cb -0.21 -3.16 0.02 0.00 -0.40 0.00 0.00 41.96 38.21 1h66 s TYR 190 CO -0.05 -1.10 0.32 -1.13 -1.57 0.00 0.00 175.55 172.02 1h66 n SER 191 N -1.01 -1.76 0.30 2.29 3.41 -0.78 -4.78 113.62 111.29 1h66 n SER 191 Ca 0.10 -0.88 0.18 0.00 -0.26 0.00 0.00 58.87 58.01 1h66 n SER 191 Cb 0.52 -1.06 0.94 0.00 -0.26 0.00 0.00 64.21 64.34 1h66 n SER 191 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1h66 h ILE 192 N -0.81 0.22 0.00 -1.33 6.09 -1.54 -1.58 117.51 118.55 1h66 h ILE 192 Ca -0.47 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 1h66 h ILE 192 Cb 0.95 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.45 1h66 h ILE 192 CO 0.39 0.03 0.00 0.61 -3.07 0.00 0.00 178.15 176.11 1h66 n GLY 193 N -0.75 -1.29 0.06 8.18 0.00 -1.26 -2.95 105.19 107.19 1h66 n GLY 193 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1h66 n GLY 193 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h66 n HIS 194 N -1.49 0.00 -3.40 1.61 8.25 -0.60 -5.02 115.22 114.57 1h66 n HIS 194 Ca 0.06 -0.85 -0.37 0.00 -0.26 0.00 0.00 57.72 56.30 1h66 n HIS 194 Cb 0.27 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1h66 n HIS 194 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1h66 s THR 195 N -2.33 5.22 0.55 1.59 2.01 -1.15 -5.06 115.64 116.46 1h66 s THR 195 Ca 0.23 0.81 -0.21 0.00 0.31 0.00 0.00 61.69 62.83 1h66 s THR 195 Cb 0.20 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1h66 s THR 195 CO 0.02 0.37 1.18 -2.65 -0.69 0.00 0.00 174.62 172.84 1h66 n PRO 196 N 3.50 1.35 -0.31 4.92 -0.02 -1.26 -4.73 135.00 138.46 1h66 n PRO 196 Ca -0.09 0.50 0.14 0.00 -2.02 0.00 0.00 63.50 62.03 1h66 n PRO 196 Cb 0.52 -2.36 0.32 0.00 -0.02 0.00 0.00 33.50 31.95 1h66 n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h66 h ALA 197 N 1.09 1.46 -0.02 3.55 0.00 -1.99 0.43 119.26 123.77 1h66 h ALA 197 Ca -0.49 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1h66 h ALA 197 Cb 1.33 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1h66 h ALA 197 CO 0.55 -0.36 -0.72 0.38 0.00 0.00 0.00 179.25 179.09 1h66 h ASP 198 N 0.39 0.17 -0.14 0.00 2.03 -2.00 -2.84 116.42 114.02 1h66 h ASP 198 Ca 0.57 -0.12 -0.10 0.00 -0.73 0.00 0.00 57.03 56.66 1h66 h ASP 198 Cb 1.10 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 1h66 h ASP 198 CO -0.54 0.83 -0.22 0.00 -1.03 0.00 0.00 179.24 178.28 1h66 h ALA 199 N 1.16 1.05 -0.06 4.15 0.00 -1.32 -2.46 119.26 121.79 1h66 h ALA 199 Ca -0.02 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1h66 h ALA 199 Cb 1.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1h66 h ALA 199 CO 0.11 0.57 -0.24 0.00 0.00 0.00 0.00 179.25 179.69 1h66 h ARG 200 N 0.51 0.10 -0.38 0.00 3.08 -1.05 -1.53 114.38 115.11 1h66 h ARG 200 Ca 0.08 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 1h66 h ARG 200 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1h66 h ARG 200 CO 0.05 0.34 -0.14 0.82 -1.07 0.00 0.00 179.97 179.96 1h66 h ILE 201 N 0.09 1.28 -0.53 2.04 1.08 -1.21 -2.93 117.51 117.33 1h66 h ILE 201 Ca 0.02 -1.25 -0.09 0.00 -0.39 0.00 0.00 64.86 63.14 1h66 h ILE 201 Cb 0.47 1.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1h66 h ILE 201 CO 0.03 0.42 -0.04 1.56 -0.69 0.00 0.00 178.15 179.43 1h66 h GLN 202 N 0.57 0.96 -0.33 2.37 1.08 -1.20 -2.42 115.11 116.13 1h66 h GLN 202 Ca 0.09 -0.32 0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1h66 h GLN 202 Cb 0.68 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.98 1h66 h GLN 202 CO 0.05 0.99 -0.04 0.82 -0.95 0.00 0.00 178.83 179.70 1h66 h ILE 203 N 0.83 0.72 -0.89 2.54 2.04 -1.25 0.39 117.51 121.89 1h66 h ILE 203 Ca 0.15 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1h66 h ILE 203 Cb 0.58 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1h66 h ILE 203 CO 0.03 0.01 0.49 -0.07 0.00 0.00 0.00 178.15 178.61 1h66 h LEU 204 N 0.05 1.11 -0.71 1.44 3.38 -1.39 -1.99 115.31 117.20 1h66 h LEU 204 Ca 0.16 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1h66 h LEU 204 Cb 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1h66 h LEU 204 CO -0.30 0.89 -0.47 -0.33 0.09 0.00 0.00 178.44 178.32 1h66 h GLU 205 N 1.25 0.43 0.00 1.13 4.39 -0.82 -2.68 114.58 118.28 1h66 h GLU 205 Ca 0.31 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 1h66 h GLU 205 Cb 0.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1h66 h GLU 205 CO -0.05 0.81 -0.48 0.78 -1.16 0.00 0.00 179.01 178.91 1h66 h GLY 206 N 1.17 0.00 0.58 -3.84 0.00 0.06 -1.83 103.07 99.21 1h66 h GLY 206 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1h66 h GLY 206 CO 0.08 0.00 -0.13 -0.25 0.00 0.00 0.00 176.54 176.25 1h66 h TRP 207 N 0.00 0.24 -0.44 5.60 -0.00 -1.21 -2.24 115.95 117.90 1h66 h TRP 207 Ca -0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.89 58.77 1h66 h TRP 207 Cb 0.95 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 30.05 1h66 h TRP 207 CO 0.00 0.73 0.18 0.87 -0.00 0.00 0.00 178.44 180.22 1h66 h LYS 208 N -0.31 0.62 -0.12 2.65 1.57 -1.44 -2.36 116.57 117.18 1h66 h LYS 208 Ca 0.00 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1h66 h LYS 208 Cb 0.71 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1h66 h LYS 208 CO 0.03 0.51 0.03 -0.22 -0.57 0.00 0.00 179.45 179.23 1h66 h LYS 209 N 0.62 0.20 -0.90 3.15 3.11 -1.29 -3.10 116.57 118.36 1h66 h LYS 209 Ca 0.15 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1h66 h LYS 209 Cb 0.11 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.27 1h66 h LYS 209 CO -0.02 0.35 0.57 -0.09 -2.81 0.00 0.00 179.45 177.45 1h66 h ARG 210 N 0.01 1.20 0.00 1.90 2.43 -1.04 -2.47 114.38 116.40 1h66 h ARG 210 Ca 0.04 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1h66 h ARG 210 Cb 0.24 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1h66 h ARG 210 CO -0.00 0.81 0.00 1.28 -1.51 0.00 0.00 179.97 180.55 1h66 n LEU 211 N -4.38 0.30 0.20 3.80 4.77 -0.92 -2.49 117.00 118.28 1h66 n LEU 211 Ca 0.10 0.60 0.05 0.00 -0.03 0.00 0.00 56.01 56.73 1h66 n LEU 211 Cb 0.04 -0.58 0.43 0.00 -2.33 0.00 0.00 43.42 40.98 1h66 n LEU 211 CO 0.37 -0.52 0.77 -0.33 -1.33 0.00 0.00 177.39 176.35 1h66 h GLU 212 N 0.00 0.00 0.00 3.23 5.08 -1.46 -3.23 114.58 118.21 1h66 h GLU 212 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1h66 h GLU 212 Cb 0.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 1h66 h GLU 212 CO 0.00 0.31 -0.50 0.09 -1.00 0.00 0.00 179.01 177.92 1h66 n ASN 213 N -3.93 1.24 -0.18 1.42 3.02 -1.04 -4.89 115.26 110.89 1h66 n ASN 213 Ca -0.02 -2.72 -0.02 0.00 -0.03 0.00 0.00 54.58 51.80 1h66 n ASN 213 Cb 0.38 -0.36 0.08 0.00 -0.61 0.00 0.00 39.78 39.28 1h66 n ASN 213 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1h66 h ILE 214 N 3.81 0.82 0.00 2.41 6.09 -1.51 -2.71 117.51 126.42 1h66 h ILE 214 Ca -0.05 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 1h66 h ILE 214 Cb 1.32 0.38 0.00 0.00 0.47 0.00 0.00 36.82 38.99 1h66 h ILE 214 CO 0.02 0.07 0.00 -0.25 -3.07 0.00 0.00 178.15 174.93 1h66 h TRP 215 N 0.41 0.00 -0.06 2.19 2.91 -1.90 -2.46 115.95 117.04 1h66 h TRP 215 Ca 0.27 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1h66 h TRP 215 Cb 0.29 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.94 1h66 h TRP 215 CO -0.15 0.00 0.00 -0.25 -1.03 0.00 0.00 178.44 177.01 1h66 n ASP 216 N -2.78 2.35 -4.77 2.65 8.00 -1.02 -4.96 116.55 116.01 1h66 n ASP 216 Ca -0.01 -1.78 -0.33 0.00 0.71 0.00 0.00 54.79 53.38 1h66 n ASP 216 Cb 0.15 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.27 1h66 n ASP 216 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1h66 s GLU 217 N -1.95 2.87 -0.08 -1.24 2.02 -0.93 -5.00 118.70 114.38 1h66 s GLU 217 Ca 0.33 1.42 -0.21 0.00 0.02 0.00 0.00 54.97 56.53 1h66 s GLU 217 Cb 0.20 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 1h66 s GLU 217 CO 0.31 -1.20 0.59 0.95 0.02 0.00 0.00 175.26 175.93 1h66 s THR 218 N -2.27 5.10 0.90 3.63 -4.23 -1.26 -5.05 115.64 112.46 1h66 s THR 218 Ca 0.68 1.21 -0.12 0.00 -1.18 0.00 0.00 61.69 62.28 1h66 s THR 218 Cb -0.21 -3.93 0.13 0.00 1.34 0.00 0.00 72.50 69.83 1h66 s THR 218 CO 0.40 0.30 1.09 -2.16 -0.54 0.00 0.00 174.62 173.71 1h66 s PRO 219 N 0.63 1.22 0.85 3.99 0.04 -1.26 -4.72 135.00 135.74 1h66 s PRO 219 Ca 0.32 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 1h66 s PRO 219 Cb -0.17 -1.80 0.10 0.00 0.04 0.00 0.00 34.50 32.67 1h66 s PRO 219 CO 0.15 -2.27 1.11 -0.51 0.04 0.00 0.00 177.00 175.52 1h66 s LEU 220 N -6.24 2.84 -0.20 -3.56 1.43 0.34 -4.30 118.68 108.99 1h66 s LEU 220 Ca 0.64 1.94 -0.13 0.00 -1.03 0.00 0.00 54.13 55.54 1h66 s LEU 220 Cb -0.18 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 1h66 s LEU 220 CO 0.57 -2.57 0.28 -0.47 0.23 0.00 0.00 176.35 174.39 1h66 s TYR 221 N -2.79 3.38 0.05 0.29 5.04 -1.26 -4.80 117.35 117.25 1h66 s TYR 221 Ca 0.64 0.48 0.06 0.00 -2.44 0.00 0.00 57.07 55.81 1h66 s TYR 221 Cb -0.20 -2.38 -0.02 0.00 0.35 0.00 0.00 41.96 39.71 1h66 s TYR 221 CO 0.57 0.10 -0.17 -0.06 -1.34 0.00 0.00 175.55 174.65 1h66 s PHE 222 N 0.94 1.47 0.09 4.97 0.08 -1.26 -4.89 117.98 119.38 1h66 s PHE 222 Ca 0.14 -0.37 -0.31 0.00 0.12 0.00 0.00 56.93 56.51 1h66 s PHE 222 Cb -0.14 -0.86 -0.09 0.00 -0.57 0.00 0.00 43.02 41.36 1h66 s PHE 222 CO 0.05 0.07 1.73 0.00 -0.10 0.00 0.00 175.22 176.97 1h66 s ALA 223 N -0.89 3.72 0.65 5.36 0.00 -1.26 -4.94 121.76 124.40 1h66 s ALA 223 Ca 0.04 1.32 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 1h66 s ALA 223 Cb -0.08 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.30 1h66 s ALA 223 CO 0.02 -1.16 1.27 -1.25 0.00 0.00 0.00 175.76 174.64 1h66 s PRO 224 N 2.68 2.56 0.58 0.00 0.04 -1.26 -4.89 135.00 134.71 1h66 s PRO 224 Ca 0.77 2.00 0.35 0.00 0.04 0.00 0.00 61.00 64.16 1h66 s PRO 224 Cb -0.43 -1.85 1.71 0.00 0.04 0.00 0.00 34.50 33.97 1h66 s PRO 224 CO 0.34 -1.58 2.12 0.66 0.04 0.00 0.00 177.00 178.59 1h66 h SER 225 N 0.49 0.00 0.17 6.66 4.64 -1.92 -2.49 113.55 121.09 1h66 h SER 225 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1h66 h SER 225 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1h66 h SER 225 CO 0.53 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 174.98 1h66 n SER 226 N -3.22 0.00 -0.01 4.97 3.41 -1.26 -1.16 113.62 116.35 1h66 n SER 226 Ca -0.01 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 1h66 n SER 226 Cb 0.22 -0.49 0.26 0.00 -0.26 0.00 0.00 64.21 63.94 1h66 n SER 226 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1h66 n LEU 227 N -1.49 0.52 -4.62 1.04 4.77 -0.94 -4.93 117.00 111.35 1h66 n LEU 227 Ca 0.01 -0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 1h66 n LEU 227 Cb 0.06 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1h66 n LEU 227 CO 0.05 0.13 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.49 1h66 s PHE 228 N -2.97 2.80 -0.78 -1.77 0.40 -0.31 -1.10 117.98 114.25 1h66 s PHE 228 Ca 0.12 -0.14 -0.25 0.00 -0.60 0.00 0.00 56.93 56.06 1h66 s PHE 228 Cb 0.18 -1.42 0.05 0.00 0.51 0.00 0.00 43.02 42.33 1h66 s PHE 228 CO 0.69 0.47 1.24 0.34 0.70 0.00 0.00 175.22 178.65 1h66 s ASP 229 N -2.48 6.24 -0.63 1.36 -1.08 0.00 -4.78 116.67 115.31 1h66 s ASP 229 Ca 0.24 -0.79 -0.06 0.00 -0.52 0.00 0.00 52.55 51.42 1h66 s ASP 229 Cb -0.10 -2.53 -0.11 0.00 -1.46 0.00 0.00 42.92 38.72 1h66 s ASP 229 CO 0.16 -1.67 2.42 0.18 0.52 0.00 0.00 175.17 176.78 1h66 n LEU 230 N 8.84 4.85 -3.73 -1.34 4.77 -1.26 -3.50 117.00 125.62 1h66 n LEU 230 Ca 0.07 -2.84 -0.13 0.00 -0.03 0.00 0.00 56.01 53.08 1h66 n LEU 230 Cb 0.49 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.39 1h66 n LEU 230 CO 0.68 0.96 0.08 0.54 -1.33 0.00 0.00 177.39 178.32 1h66 s ASN 231 N 2.79 -0.38 0.16 -1.43 2.20 -1.26 -5.05 114.94 111.97 1h66 s ASN 231 Ca 0.46 0.64 -0.23 0.00 -0.94 0.00 0.00 52.86 52.78 1h66 s ASN 231 Cb 0.16 0.69 0.05 0.00 -2.00 0.00 0.00 41.25 40.15 1h66 s ASN 231 CO -0.02 -0.23 1.60 -0.26 -2.94 0.00 0.00 177.10 175.24 1h66 h PHE 232 N 5.03 -0.92 -0.32 1.54 0.04 -1.97 -2.27 116.94 118.07 1h66 h PHE 232 Ca -0.27 0.06 0.09 0.00 2.80 0.00 0.00 57.97 60.64 1h66 h PHE 232 Cb 1.18 0.46 -0.01 0.00 2.20 0.00 0.00 35.95 39.78 1h66 h PHE 232 CO 0.43 -0.39 0.27 -0.56 -0.60 0.00 0.00 178.31 177.46 1h66 h GLN 233 N -0.27 0.00 -0.00 1.51 -0.00 -1.98 0.43 115.11 114.80 1h66 h GLN 233 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1h66 h GLN 233 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.02 1h66 h GLN 233 CO -0.53 0.00 -0.16 0.00 -0.00 0.00 0.00 178.83 178.14 1h66 n ALA 234 N -2.47 2.73 -1.08 0.06 0.00 -0.86 -4.92 120.51 113.97 1h66 n ALA 234 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 1h66 n ALA 234 Cb 0.44 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1h66 n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h66 n GLY 235 N 1.49 0.59 3.74 0.00 0.00 0.15 -3.57 105.19 107.60 1h66 n GLY 235 Ca 0.07 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1h66 n GLY 235 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h66 n PHE 236 N -2.79 -2.38 -3.93 1.61 3.01 -1.22 -4.98 117.46 106.77 1h66 n PHE 236 Ca -0.03 0.93 -0.22 0.00 1.01 0.00 0.00 57.45 59.14 1h66 n PHE 236 Cb 0.15 -4.46 -0.02 0.00 -0.01 0.00 0.00 39.48 35.15 1h66 n PHE 236 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1h66 s LEU 237 N -7.09 4.31 0.41 4.37 1.43 -1.23 -4.73 118.68 116.14 1h66 s LEU 237 Ca 0.46 0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.41 1h66 s LEU 237 Cb -0.22 -2.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.00 1h66 s LEU 237 CO 0.79 -0.06 1.30 0.23 0.23 0.00 0.00 176.35 178.84 1h66 n MET 238 N -1.28 2.04 -2.09 1.70 2.81 -1.26 -0.82 117.12 118.21 1h66 n MET 238 Ca -0.08 0.72 -0.41 0.00 -1.81 0.00 0.00 57.70 56.12 1h66 n MET 238 Cb 0.56 -2.42 -0.02 0.00 -0.71 0.00 0.00 33.22 30.64 1h66 n MET 238 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1h66 s LYS 239 N -2.18 4.34 0.22 0.03 1.02 -0.26 -4.73 119.74 118.17 1h66 s LYS 239 Ca 0.60 2.24 -0.09 0.00 0.02 0.00 0.00 55.97 58.74 1h66 s LYS 239 Cb -0.51 -3.07 0.33 0.00 -0.52 0.00 0.00 37.83 34.07 1h66 s LYS 239 CO 0.59 -0.22 1.68 -0.22 -0.92 0.00 0.00 175.35 176.26 1h66 h LYS 240 N 3.43 0.19 -0.72 1.68 3.64 -1.91 -0.06 116.57 122.83 1h66 h LYS 240 Ca -0.49 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.03 1h66 h LYS 240 Cb 1.23 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.89 1h66 h LYS 240 CO 0.66 0.13 0.14 0.93 -2.27 0.00 0.00 179.45 179.04 1h66 h GLU 241 N 0.20 0.23 -0.27 1.90 3.07 -1.98 0.85 114.58 118.58 1h66 h GLU 241 Ca 0.34 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.09 1h66 h GLU 241 Cb 0.54 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1h66 h GLU 241 CO -0.48 0.15 -0.19 0.28 -1.40 0.00 0.00 179.01 177.38 1h66 h VAL 242 N 0.24 1.30 -0.71 3.13 2.07 -1.60 -2.67 116.25 118.00 1h66 h VAL 242 Ca 0.40 -1.32 0.08 0.00 0.82 0.00 0.00 66.70 66.68 1h66 h VAL 242 Cb 0.68 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 1h66 h VAL 242 CO -0.52 0.42 0.38 -0.61 0.02 0.00 0.00 177.57 177.27 1h66 h GLN 243 N 0.35 0.66 -0.11 1.57 4.15 0.50 -2.06 115.11 120.17 1h66 h GLN 243 Ca 0.05 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1h66 h GLN 243 Cb 0.73 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.27 1h66 h GLN 243 CO 0.05 0.44 -0.11 -0.44 -1.93 0.00 0.00 178.83 176.84 1h66 h ASP 244 N 0.68 0.29 -0.29 -0.69 3.32 -0.90 -3.00 116.42 115.83 1h66 h ASP 244 Ca 0.33 -0.48 0.08 0.00 0.02 0.00 0.00 57.03 56.99 1h66 h ASP 244 Cb 0.28 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1h66 h ASP 244 CO -0.22 0.72 0.25 -0.33 -1.72 0.00 0.00 179.24 177.93 1h66 h GLU 245 N -0.12 0.00 0.00 3.56 5.08 -1.20 -0.57 114.58 121.32 1h66 h GLU 245 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1h66 h GLU 245 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1h66 h GLU 245 CO 0.03 0.00 -0.21 0.93 -1.00 0.00 0.00 179.01 178.76 1h66 h GLU 246 N 0.00 0.00 0.00 2.33 4.39 -1.25 -3.34 114.58 116.71 1h66 h GLU 246 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1h66 h GLU 246 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1h66 h GLU 246 CO -0.00 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.72 1h66 h LYS 247 N 0.00 0.00 -0.26 2.33 1.57 -0.96 -2.03 116.57 117.22 1h66 h LYS 247 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h66 h LYS 247 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1h66 h LYS 247 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 1h66 n ASN 248 N -3.06 2.91 -4.79 0.86 3.02 -1.25 -4.96 115.26 107.98 1h66 n ASN 248 Ca -0.02 -1.85 -0.38 0.00 -0.03 0.00 0.00 54.58 52.30 1h66 n ASN 248 Cb 0.13 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1h66 n ASN 248 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1h66 s LYS 249 N -1.24 4.42 -0.02 3.52 -0.14 -0.76 -5.00 119.74 120.51 1h66 s LYS 249 Ca 0.28 1.00 -0.24 0.00 -1.36 0.00 0.00 55.97 55.64 1h66 s LYS 249 Cb 0.16 -3.16 -0.20 0.00 -1.68 0.00 0.00 37.83 32.96 1h66 s LYS 249 CO 0.23 0.54 1.19 -0.22 -0.76 0.00 0.00 175.35 176.33 1h66 h LYS 250 N 4.13 0.13 -6.19 1.68 3.11 -1.93 -3.46 116.57 114.05 1h66 h LYS 250 Ca -0.48 -0.09 -0.55 0.00 -2.81 0.00 0.00 60.65 56.72 1h66 h LYS 250 Cb 1.20 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.43 1h66 h LYS 250 CO 0.65 0.70 -0.35 -0.06 -2.81 0.00 0.00 179.45 177.58 1h66 s PHE 251 N -3.84 3.48 0.39 1.91 0.08 -1.26 -4.06 117.98 114.69 1h66 s PHE 251 Ca -0.16 0.35 -0.07 0.00 0.12 0.00 0.00 56.93 57.18 1h66 s PHE 251 Cb 0.02 -1.86 0.09 0.00 -0.57 0.00 0.00 43.02 40.71 1h66 s PHE 251 CO 0.71 0.40 0.42 0.41 -0.10 0.00 0.00 175.22 177.07 1h66 n GLY 252 N -0.50 -1.96 0.11 4.36 0.00 -0.37 -4.90 105.19 101.94 1h66 n GLY 252 Ca -0.04 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 1h66 n GLY 252 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h66 n LEU 253 N 0.00 1.82 0.00 0.99 4.77 0.45 -4.63 117.00 120.39 1h66 n LEU 253 Ca 0.06 0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 1h66 n LEU 253 Cb 0.20 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1h66 n LEU 253 CO 0.15 0.65 0.07 -1.54 -1.33 0.00 0.00 177.39 175.38 1h66 n SER 254 N -3.27 -0.26 0.07 -1.43 3.41 -1.05 -4.80 113.62 106.28 1h66 n SER 254 Ca -0.26 -1.17 -0.13 0.00 -0.26 0.00 0.00 58.87 57.05 1h66 n SER 254 Cb 1.05 0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 65.36 1h66 n SER 254 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1h66 h VAL 255 N 1.12 0.99 -0.00 -3.33 2.07 -1.92 -2.30 116.25 112.88 1h66 h VAL 255 Ca -0.04 -0.25 -0.20 0.00 0.82 0.00 0.00 66.70 67.03 1h66 h VAL 255 Cb 0.15 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1h66 h VAL 255 CO 0.05 0.06 -0.87 1.23 0.02 0.00 0.00 177.57 178.06 1h66 h GLY 256 N -0.22 0.27 -5.66 2.17 0.00 -1.97 -3.28 103.07 94.38 1h66 h GLY 256 Ca -0.01 -0.47 -0.76 0.00 0.00 0.00 0.00 47.33 46.09 1h66 h GLY 256 CO 0.02 0.41 0.74 1.42 0.00 0.00 0.00 176.54 179.13 1h66 n HIS 257 N -3.69 3.03 0.32 5.60 -0.00 -1.19 -4.66 115.22 114.62 1h66 n HIS 257 Ca -0.04 -2.69 0.13 0.00 -0.00 0.00 0.00 57.72 55.12 1h66 n HIS 257 Cb 0.80 -1.04 0.32 0.00 -0.00 0.00 0.00 29.99 30.07 1h66 n HIS 257 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1h66 h HIS 258 N 3.61 0.00 -1.19 4.41 2.07 -1.48 0.14 115.15 122.70 1h66 h HIS 258 Ca 0.49 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.74 1h66 h HIS 258 Cb 0.29 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.17 1h66 h HIS 258 CO 1.20 0.00 -0.24 1.28 -3.07 0.00 0.00 177.93 177.10 1h66 n LEU 259 N -2.89 -0.87 0.00 6.12 4.77 -1.26 -0.42 117.00 122.45 1h66 n LEU 259 Ca 0.04 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1h66 n LEU 259 Cb 0.46 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.45 1h66 n LEU 259 CO 0.31 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.24 1h66 n GLY 260 N -0.17 0.88 0.00 -0.72 0.00 -1.26 -5.04 105.19 98.88 1h66 n GLY 260 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1h66 n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h66 n LYS 261 N -2.00 1.34 -2.60 1.61 5.02 0.44 -5.08 118.16 116.89 1h66 n LYS 261 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1h66 n LYS 261 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1h66 n LYS 261 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1h66 s SER 262 N -0.98 7.27 -0.14 4.39 0.01 -1.26 -4.68 113.70 118.31 1h66 s SER 262 Ca 0.00 1.81 -0.29 0.00 1.31 0.00 0.00 55.95 58.78 1h66 s SER 262 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1h66 s SER 262 CO 0.00 -0.32 1.15 -0.63 0.41 0.00 0.00 173.24 173.86 1h66 s ILE 263 N 0.90 4.44 0.36 1.44 1.01 -1.26 -1.24 121.20 126.85 1h66 s ILE 263 Ca 0.54 1.74 -0.26 0.00 0.00 0.00 0.00 60.65 62.67 1h66 s ILE 263 Cb -0.24 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 37.98 1h66 s ILE 263 CO 0.29 -0.08 1.05 -0.81 0.00 0.00 0.00 174.94 175.38 1h66 n PRO 264 N 5.87 1.47 -1.67 2.79 -0.04 -1.26 -4.82 135.00 137.33 1h66 n PRO 264 Ca 0.12 0.52 -0.45 0.00 -0.04 0.00 0.00 63.50 63.65 1h66 n PRO 264 Cb 0.46 -2.01 -0.03 0.00 -0.04 0.00 0.00 33.50 31.88 1h66 n PRO 264 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1h66 n THR 265 N -0.12 0.75 -4.14 0.52 -1.04 -1.26 -2.89 114.28 106.10 1h66 n THR 265 Ca 0.09 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.05 61.62 1h66 n THR 265 Cb 0.36 -1.49 -0.05 0.00 -1.82 0.00 0.00 70.33 67.33 1h66 n THR 265 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1h66 n ASP 266 N 2.41 -0.11 -0.05 8.00 8.00 -1.26 -4.83 116.55 128.71 1h66 n ASP 266 Ca 0.13 -1.12 0.02 0.00 0.71 0.00 0.00 54.79 54.53 1h66 n ASP 266 Cb 0.31 -2.40 0.36 0.00 -0.02 0.00 0.00 41.12 39.36 1h66 n ASP 266 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1h66 h ASN 267 N -1.75 0.56 -0.13 -2.24 -1.24 -1.77 0.94 115.58 109.94 1h66 h ASN 267 Ca -0.64 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.34 1h66 h ASN 267 Cb 1.39 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1h66 h ASN 267 CO 0.68 0.46 0.00 0.00 -1.29 0.00 0.00 177.43 177.28 1h66 n GLN 268 N -4.42 2.30 -0.02 6.67 1.13 -1.26 -4.37 117.38 117.41 1h66 n GLN 268 Ca 0.04 -1.91 -0.02 0.00 -1.94 0.00 0.00 57.00 53.17 1h66 n GLN 268 Cb 0.10 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 28.95 1h66 n GLN 268 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1h66 n ILE 269 N 1.24 0.20 -4.88 5.09 5.41 -0.98 -4.59 119.36 120.85 1h66 n ILE 269 Ca 0.16 -0.12 -0.26 0.00 1.00 0.00 0.00 62.75 63.54 1h66 n ILE 269 Cb 0.57 -0.87 -0.16 0.00 -0.71 0.00 0.00 39.64 38.47 1h66 n ILE 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1h66 s LYS 270 N -2.07 1.54 0.32 0.38 -0.14 0.29 -4.38 119.74 115.67 1h66 s LYS 270 Ca -0.02 -0.65 -0.05 0.00 -1.36 0.00 0.00 55.97 53.88 1h66 s LYS 270 Cb 0.01 -1.46 0.08 0.00 -1.68 0.00 0.00 37.83 34.77 1h66 s LYS 270 CO 0.11 0.37 0.38 0.00 -0.76 0.00 0.00 175.35 175.46 1h66 n ALA 271 N 2.71 -0.64 -1.30 5.17 0.00 -1.26 -4.58 120.51 120.61 1h66 n ALA 271 Ca -0.15 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1h66 n ALA 271 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1h66 n ALA 271 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1h66 n ARG 272 N -2.06 0.00 0.00 0.00 0.63 -1.26 -4.98 116.66 108.99 1h66 n ARG 272 Ca 0.05 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 1h66 n ARG 272 Cb 0.18 -0.81 0.00 0.00 0.45 0.00 0.00 32.46 32.28 1h66 n ARG 272 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29