#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lei s TYR 20 N 0.00 0.34 -0.12 0.00 1.13 -0.63 -4.81 117.35 113.27 1lei s TYR 20 Ca 0.00 -0.65 -0.25 0.00 -1.41 0.00 0.00 57.07 54.76 1lei s TYR 20 Cb 0.00 -0.25 -0.02 0.00 -1.10 0.00 0.00 41.96 40.59 1lei s TYR 20 CO 0.00 -0.23 0.79 0.08 -2.51 0.00 0.00 175.55 173.68 1lei s VAL 21 N -2.02 4.95 -0.12 -3.49 1.01 -1.26 -1.27 120.40 118.19 1lei s VAL 21 Ca -0.10 1.59 0.03 0.00 0.00 0.00 0.00 61.98 63.49 1lei s VAL 21 Cb -0.06 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1lei s VAL 21 CO -0.03 0.13 -0.20 -0.70 0.00 0.00 0.00 175.10 174.30 1lei s GLU 22 N 1.53 2.75 -0.35 2.72 2.12 -0.06 -4.92 118.70 122.48 1lei s GLU 22 Ca 0.39 -0.76 -0.27 0.00 0.36 0.00 0.00 54.97 54.69 1lei s GLU 22 Cb -0.17 -2.22 0.01 0.00 0.26 0.00 0.00 34.13 32.01 1lei s GLU 22 CO 0.16 0.01 0.96 0.42 -0.54 0.00 0.00 175.26 176.28 1lei s ILE 23 N 0.77 4.57 -2.24 -3.70 1.01 -1.26 0.42 121.20 120.76 1lei s ILE 23 Ca -0.09 1.35 0.20 0.00 0.00 0.00 0.00 60.65 62.11 1lei s ILE 23 Cb -0.16 -4.35 0.29 0.00 0.01 0.00 0.00 42.46 38.25 1lei s ILE 23 CO 0.00 -0.51 1.24 2.30 0.00 0.00 0.00 174.94 177.97 1lei n ILE 24 N 5.94 0.32 -3.13 2.92 -5.35 0.12 -4.78 119.36 115.40 1lei n ILE 24 Ca 0.08 -0.66 0.02 0.00 -0.27 0.00 0.00 62.75 61.92 1lei n ILE 24 Cb 0.48 1.12 -0.00 0.00 -1.74 0.00 0.00 39.64 39.49 1lei n ILE 24 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1lei s GLU 25 N -1.46 0.62 1.12 6.28 2.56 -0.51 -4.90 118.70 122.42 1lei s GLU 25 Ca 0.29 -0.00 -0.13 0.00 0.00 0.00 0.00 54.97 55.14 1lei s GLU 25 Cb 0.18 0.12 0.26 0.00 2.00 0.00 0.00 34.13 36.70 1lei s GLU 25 CO 0.26 -0.96 1.04 -0.65 -0.56 0.00 0.00 175.26 174.40 1lei s GLN 26 N 2.19 -0.59 0.27 4.30 -1.52 -1.26 -0.82 119.66 122.22 1lei s GLN 26 Ca 0.15 0.79 -0.20 0.00 -1.95 0.00 0.00 55.36 54.15 1lei s GLN 26 Cb -0.04 -1.60 -0.09 0.00 -0.22 0.00 0.00 33.01 31.06 1lei s GLN 26 CO -0.14 -3.49 0.78 -2.14 -0.25 0.00 0.00 175.29 170.04 1lei s PRO 27 N -4.58 4.26 0.34 2.91 0.02 -1.25 -3.56 135.00 133.15 1lei s PRO 27 Ca 0.68 0.92 -0.29 0.00 0.02 0.00 0.00 61.00 62.33 1lei s PRO 27 Cb -0.23 -2.74 -0.10 0.00 0.02 0.00 0.00 34.50 31.44 1lei s PRO 27 CO 0.63 0.30 1.35 0.21 -0.33 0.00 0.00 177.00 179.16 1lei s LYS 28 N -2.26 4.30 0.09 5.54 2.20 1.38 -4.75 119.74 126.25 1lei s LYS 28 Ca 0.47 2.30 0.09 0.00 -0.36 0.00 0.00 55.97 58.47 1lei s LYS 28 Cb -0.15 -3.04 -0.20 0.00 -1.51 0.00 0.00 37.83 32.92 1lei s LYS 28 CO 0.20 -0.27 1.14 1.96 -0.36 0.00 0.00 175.35 178.02 1lei h GLN 29 N 3.29 0.00 -5.01 4.03 4.20 -1.86 -3.46 115.11 116.31 1lei h GLN 29 Ca -0.49 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 57.88 1lei h GLN 29 Cb 1.23 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.86 1lei h GLN 29 CO 0.65 0.85 -0.68 1.03 -0.67 0.00 0.00 178.83 180.01 1lei s ARG 30 N -2.70 1.19 0.00 1.46 0.52 -1.26 -0.03 118.95 118.13 1lei s ARG 30 Ca -0.00 -1.57 0.00 0.00 -0.52 0.00 0.00 55.73 53.64 1lei s ARG 30 Cb 0.09 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 35.04 1lei s ARG 30 CO 0.82 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.49 1lei n GLY 31 N -0.31 3.13 3.77 -3.53 0.00 -1.26 -4.89 105.19 102.10 1lei n GLY 31 Ca -0.07 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 1lei n GLY 31 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lei s MET 32 N 0.00 4.36 0.16 1.61 -2.45 -1.26 -4.76 119.30 116.97 1lei s MET 32 Ca 0.00 0.86 -0.04 0.00 -1.25 0.00 0.00 55.69 55.25 1lei s MET 32 Cb 0.00 -3.32 -0.05 0.00 1.25 0.00 0.00 34.83 32.71 1lei s MET 32 CO 0.00 0.42 0.39 -0.98 1.05 0.00 0.00 175.02 175.89 1lei s ARG 33 N -0.41 3.61 0.30 4.11 1.70 -1.26 -1.55 118.95 125.44 1lei s ARG 33 Ca 0.33 -0.12 -0.28 0.00 -0.47 0.00 0.00 55.73 55.19 1lei s ARG 33 Cb -0.19 -2.84 -0.09 0.00 -0.57 0.00 0.00 34.95 31.26 1lei s ARG 33 CO 0.20 0.44 1.03 -0.06 -1.08 0.00 0.00 175.30 175.83 1lei s PHE 34 N -1.71 3.64 0.12 5.89 2.99 -1.26 -4.84 117.98 122.82 1lei s PHE 34 Ca 0.41 1.76 0.06 0.00 0.00 0.00 0.00 56.93 59.15 1lei s PHE 34 Cb -0.12 -3.14 -0.04 0.00 0.00 0.00 0.00 43.02 39.72 1lei s PHE 34 CO 0.25 -0.22 0.01 1.03 -0.00 0.00 0.00 175.22 176.29 1lei s ARG 35 N -1.63 2.52 0.46 0.44 1.81 -1.18 -4.83 118.95 116.54 1lei s ARG 35 Ca 0.47 -0.93 0.02 0.00 -1.72 0.00 0.00 55.73 53.57 1lei s ARG 35 Cb -0.27 -2.49 0.01 0.00 -0.45 0.00 0.00 34.95 31.75 1lei s ARG 35 CO 0.34 0.51 0.67 0.71 -0.68 0.00 0.00 175.30 176.85 1lei s TYR 36 N -1.47 3.09 0.20 -0.53 1.51 -1.26 -1.10 117.35 117.79 1lei s TYR 36 Ca 0.27 0.08 -0.10 0.00 -1.01 0.00 0.00 57.07 56.30 1lei s TYR 36 Cb -0.11 -2.39 0.14 0.00 -0.11 0.00 0.00 41.96 39.49 1lei s TYR 36 CO 0.19 -0.45 1.82 0.87 -1.11 0.00 0.00 175.55 176.87 1lei h LYS 37 N 0.39 1.00 0.00 -0.62 1.79 -1.94 -2.66 116.57 114.53 1lei h LYS 37 Ca -0.45 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1lei h LYS 37 Cb 1.27 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1lei h LYS 37 CO 0.55 0.74 0.21 0.00 -1.08 0.00 0.00 179.45 179.87 1lei n GLU 39 N -2.38 1.12 -1.62 0.00 1.02 -1.00 -4.99 120.64 112.78 1lei n GLU 39 Ca -0.01 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 1lei n GLU 39 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 1lei n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lei n GLY 40 N 5.00 -0.04 0.37 0.62 0.00 -1.26 -4.87 105.19 105.00 1lei n GLY 40 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.30 1lei n GLY 40 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lei h ARG 41 N 1.87 0.97 -4.69 1.61 2.43 -1.94 -3.32 114.38 111.31 1lei h ARG 41 Ca -0.44 -0.06 -0.70 0.00 -0.81 0.00 0.00 59.98 57.97 1lei h ARG 41 Cb 1.33 -0.22 -0.20 0.00 -0.42 0.00 0.00 29.97 30.46 1lei h ARG 41 CO 0.59 0.64 0.20 0.45 -1.51 0.00 0.00 179.97 180.34 1lei s SER 42 N -5.84 6.26 0.57 -3.80 0.15 -1.26 -5.01 113.70 104.78 1lei s SER 42 Ca -0.12 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 54.97 1lei s SER 42 Cb 0.21 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1lei s SER 42 CO 0.80 -1.09 0.00 0.00 1.20 0.00 0.00 173.24 174.16 1lei n ALA 43 N 6.25 0.00 -1.05 5.45 0.00 -1.25 -5.05 120.51 124.85 1lei n ALA 43 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1lei n ALA 43 Cb 0.43 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.00 1lei n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lei n GLY 44 N 3.20 -2.53 2.67 0.00 0.00 -1.26 -5.01 105.19 102.26 1lei n GLY 44 Ca 0.00 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 1lei n GLY 44 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lei s SER 45 N -2.90 1.89 -0.36 1.61 0.15 -1.26 -4.09 113.70 108.74 1lei s SER 45 Ca 0.33 -0.40 -0.35 0.00 0.70 0.00 0.00 55.95 56.23 1lei s SER 45 Cb -0.03 -0.01 -0.11 0.00 -1.71 0.00 0.00 66.02 64.15 1lei s SER 45 CO 0.25 -0.33 2.20 -0.38 1.20 0.00 0.00 173.24 176.19 1lei n ILE 46 N 5.30 0.18 -0.95 6.45 5.41 0.11 -4.89 119.36 130.96 1lei n ILE 46 Ca -0.06 -0.26 -0.30 0.00 1.00 0.00 0.00 62.75 63.13 1lei n ILE 46 Cb 0.49 -1.64 0.17 0.00 -0.71 0.00 0.00 39.64 37.95 1lei n ILE 46 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1lei s PRO 47 N 6.32 0.72 0.00 0.38 0.02 -1.26 -4.44 135.00 136.74 1lei s PRO 47 Ca 1.10 0.99 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1lei s PRO 47 Cb -0.85 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 31.93 1lei s PRO 47 CO 0.49 -2.66 0.00 0.41 -0.33 0.00 0.00 177.00 174.91 1lei n GLY 48 N -0.40 -1.92 0.00 0.52 0.00 0.45 -2.22 105.19 101.62 1lei n GLY 48 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1lei n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1lei n GLU 49 N 0.00 0.00 -0.03 1.61 2.13 -1.23 0.41 120.64 123.54 1lei n GLU 49 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1lei n GLU 49 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 1lei n GLU 49 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1lei n ARG 50 N -0.13 1.18 -1.93 5.31 1.74 -1.26 -4.92 116.66 116.64 1lei n ARG 50 Ca 0.00 -1.17 -0.42 0.00 -0.77 0.00 0.00 57.85 55.49 1lei n ARG 50 Cb 0.00 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 1lei n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1lei s SER 51 N -0.63 6.60 0.15 0.55 1.04 -1.26 -4.82 113.70 115.32 1lei s SER 51 Ca 0.05 2.53 0.05 0.00 0.48 0.00 0.00 55.95 59.06 1lei s SER 51 Cb 0.03 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1lei s SER 51 CO 0.04 -0.87 0.13 0.42 0.98 0.00 0.00 173.24 173.95 1lei s THR 52 N 2.14 4.52 0.45 2.02 -4.23 0.18 -4.85 115.64 115.88 1lei s THR 52 Ca 0.73 -1.01 0.33 0.00 -1.18 0.00 0.00 61.69 60.55 1lei s THR 52 Cb -0.41 -3.29 0.52 0.00 1.34 0.00 0.00 72.50 70.66 1lei s THR 52 CO 0.32 -0.06 1.62 -0.78 -0.54 0.00 0.00 174.62 175.17 1lei h ASP 53 N 2.56 0.21 0.00 3.99 1.82 -2.02 -2.19 116.42 120.79 1lei h ASP 53 Ca -0.47 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 1lei h ASP 53 Cb 1.19 0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.31 1lei h ASP 53 CO 0.64 -0.16 -0.17 0.00 -1.61 0.00 0.00 179.24 177.94 1lei h THR 54 N 0.07 0.00 -3.20 2.25 1.03 -2.00 -3.45 112.91 107.61 1lei h THR 54 Ca 0.83 -0.49 -0.71 0.00 -0.01 0.00 0.00 66.41 66.04 1lei h THR 54 Cb 2.72 0.00 -0.20 0.00 -1.07 0.00 0.00 68.15 69.60 1lei h THR 54 CO -0.37 0.00 -0.08 0.42 -0.01 0.00 0.00 175.52 175.49 1lei s THR 55 N -1.50 5.00 0.14 0.00 -4.23 -0.83 -5.07 115.64 109.16 1lei s THR 55 Ca -0.05 -0.82 -0.17 0.00 -1.18 0.00 0.00 61.69 59.47 1lei s THR 55 Cb 0.01 -4.28 -0.07 0.00 1.34 0.00 0.00 72.50 69.49 1lei s THR 55 CO 0.07 -0.79 0.59 -0.75 -0.54 0.00 0.00 174.62 173.20 1lei s LYS 56 N 2.26 4.10 0.37 3.99 2.20 -1.21 0.52 119.74 131.97 1lei s LYS 56 Ca 0.10 0.64 0.04 0.00 -0.36 0.00 0.00 55.97 56.39 1lei s LYS 56 Cb -0.22 -3.01 -0.06 0.00 -1.51 0.00 0.00 37.83 33.02 1lei s LYS 56 CO 0.09 0.51 0.05 0.95 -0.36 0.00 0.00 175.35 176.59 1lei s THR 57 N -1.37 1.35 0.14 3.43 -4.23 -1.26 -4.92 115.64 108.78 1lei s THR 57 Ca 0.36 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 1lei s THR 57 Cb -0.17 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 1lei s THR 57 CO 0.19 0.00 0.11 -1.00 -0.54 0.00 0.00 174.62 173.38 1lei s HIS 58 N -3.10 0.80 -0.19 3.99 0.09 -1.26 -0.41 115.29 115.21 1lei s HIS 58 Ca 0.32 -1.15 -0.41 0.00 -0.00 0.00 0.00 55.06 53.82 1lei s HIS 58 Cb 0.08 -0.40 -0.18 0.00 -0.00 0.00 0.00 32.58 32.08 1lei s HIS 58 CO 0.15 -0.57 1.50 -2.30 -0.00 0.00 0.00 174.74 173.51 1lei n PRO 59 N -0.14 0.70 -3.80 8.40 -0.02 -1.26 -4.72 135.00 134.17 1lei n PRO 59 Ca -0.05 0.25 -0.18 0.00 -2.02 0.00 0.00 63.50 61.50 1lei n PRO 59 Cb 0.64 -1.86 -0.17 0.00 -0.02 0.00 0.00 33.50 32.09 1lei n PRO 59 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1lei s THR 60 N 2.05 0.07 0.33 3.45 2.01 0.00 -1.69 115.64 121.86 1lei s THR 60 Ca 0.95 0.22 0.08 0.00 0.31 0.00 0.00 61.69 63.26 1lei s THR 60 Cb -1.17 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1lei s THR 60 CO 0.63 0.16 0.11 0.27 -0.69 0.00 0.00 174.62 175.10 1lei s ILE 61 N 1.50 3.05 -0.01 1.82 -4.36 0.20 0.13 121.20 123.53 1lei s ILE 61 Ca -0.03 -1.75 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 1lei s ILE 61 Cb -0.13 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.64 1lei s ILE 61 CO -0.03 -0.21 -0.06 -0.75 0.24 0.00 0.00 174.94 174.13 1lei s LYS 62 N -3.81 0.58 -0.53 0.37 2.20 0.17 -0.31 119.74 118.41 1lei s LYS 62 Ca 0.36 -0.21 -0.18 0.00 -0.36 0.00 0.00 55.97 55.59 1lei s LYS 62 Cb -0.03 -0.57 0.08 0.00 -1.51 0.00 0.00 37.83 35.80 1lei s LYS 62 CO 0.22 0.10 0.59 0.42 -0.36 0.00 0.00 175.35 176.31 1lei s ILE 63 N 0.05 4.97 0.31 5.43 -1.09 -0.24 -0.89 121.20 129.74 1lei s ILE 63 Ca -0.00 -0.88 -0.25 0.00 -2.23 0.00 0.00 60.65 57.28 1lei s ILE 63 Cb -0.05 -4.32 -0.10 0.00 -1.58 0.00 0.00 42.46 36.41 1lei s ILE 63 CO -0.00 -0.86 0.91 0.20 -1.23 0.00 0.00 174.94 173.96 1lei s ASN 64 N 3.06 7.30 -0.07 3.58 0.01 -0.40 -3.61 114.94 124.81 1lei s ASN 64 Ca 0.10 1.78 0.00 0.00 -0.71 0.00 0.00 52.86 54.03 1lei s ASN 64 Cb -0.23 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.87 1lei s ASN 64 CO 0.08 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 1lei n GLY 65 N 0.60 0.39 3.45 0.66 0.00 -1.26 -1.60 105.19 107.44 1lei n GLY 65 Ca 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1lei n GLY 65 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lei s TYR 66 N -1.73 -0.55 -0.30 1.61 6.14 -1.24 -4.44 117.35 116.84 1lei s TYR 66 Ca 0.00 0.52 -0.15 0.00 0.64 0.00 0.00 57.07 58.08 1lei s TYR 66 Cb 0.00 0.52 0.17 0.00 0.42 0.00 0.00 41.96 43.07 1lei s TYR 66 CO 0.00 -0.76 1.03 -0.08 0.64 0.00 0.00 175.55 176.38 1lei s THR 67 N -3.03 -0.43 0.00 4.34 -1.32 -1.26 -4.75 115.64 109.19 1lei s THR 67 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1lei s THR 67 Cb -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1lei s THR 67 CO -0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 1lei n GLY 68 N 5.03 -0.53 3.87 6.08 0.00 -1.26 -5.06 105.19 113.32 1lei n GLY 68 Ca -0.08 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1lei n GLY 68 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1lei s PRO 69 N -1.61 3.84 0.00 1.61 0.02 -1.26 -3.41 135.00 134.18 1lei s PRO 69 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 61.00 61.42 1lei s PRO 69 Cb 0.00 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.99 1lei s PRO 69 CO 0.00 0.19 0.00 0.41 -0.33 0.00 0.00 177.00 177.27 1lei n GLY 70 N -0.53 -0.98 3.17 0.52 0.00 -1.26 -4.26 105.19 101.85 1lei n GLY 70 Ca 0.02 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1lei n GLY 70 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1lei s THR 71 N -3.00 0.16 -0.02 2.61 -1.32 0.19 -2.26 115.64 112.00 1lei s THR 71 Ca 0.00 -1.57 0.01 0.00 -1.21 0.00 0.00 61.69 58.93 1lei s THR 71 Cb 0.00 -1.58 0.01 0.00 -1.51 0.00 0.00 72.50 69.42 1lei s THR 71 CO 0.00 -0.72 -0.04 0.54 -2.21 0.00 0.00 174.62 172.19 1lei s VAL 72 N -3.93 0.42 0.00 5.08 0.11 -0.55 0.14 120.40 121.69 1lei s VAL 72 Ca 0.10 -0.16 0.07 0.00 -2.93 0.00 0.00 61.98 59.06 1lei s VAL 72 Cb 0.06 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1lei s VAL 72 CO -0.07 0.15 -0.21 -0.60 -3.33 0.00 0.00 175.10 171.04 1lei s ARG 73 N 0.32 1.62 -0.11 1.54 3.52 0.03 -2.15 118.95 123.72 1lei s ARG 73 Ca -0.04 -0.83 0.00 0.00 -0.13 0.00 0.00 55.73 54.74 1lei s ARG 73 Cb -0.07 -1.63 0.02 0.00 -1.56 0.00 0.00 34.95 31.71 1lei s ARG 73 CO -0.00 0.44 -0.09 0.42 -0.81 0.00 0.00 175.30 175.25 1lei s ILE 74 N -0.60 1.09 0.40 4.11 1.01 -0.26 -0.15 121.20 126.80 1lei s ILE 74 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1lei s ILE 74 Cb -0.08 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1lei s ILE 74 CO 0.00 0.37 0.06 -1.54 0.00 0.00 0.00 174.94 173.84 1lei n SER 75 N 4.75 2.20 -4.34 3.58 3.41 -0.71 -1.68 113.62 120.82 1lei n SER 75 Ca -0.15 -2.92 -0.34 0.00 -0.26 0.00 0.00 58.87 55.20 1lei n SER 75 Cb 0.50 0.61 -0.14 0.00 -0.26 0.00 0.00 64.21 64.92 1lei n SER 75 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1lei s LEU 76 N 0.00 2.85 0.31 1.04 1.43 -1.26 -0.91 118.68 122.13 1lei s LEU 76 Ca 0.09 -0.35 0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1lei s LEU 76 Cb 0.00 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 1lei s LEU 76 CO 0.06 0.06 -0.15 0.68 0.23 0.00 0.00 176.35 177.24 1lei s VAL 77 N 0.97 2.43 1.24 -1.59 -7.23 -0.50 -0.91 120.40 114.82 1lei s VAL 77 Ca -0.01 -2.30 -0.16 0.00 -1.81 0.00 0.00 61.98 57.70 1lei s VAL 77 Cb -0.15 -2.47 0.31 0.00 0.56 0.00 0.00 36.38 34.63 1lei s VAL 77 CO -0.00 -0.32 1.00 0.42 -0.31 0.00 0.00 175.10 175.89 1lei s THR 78 N -2.54 1.75 -0.07 5.32 -4.23 -0.83 -0.57 115.64 114.46 1lei s THR 78 Ca 0.31 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.58 1lei s THR 78 Cb -0.02 -2.11 -0.20 0.00 1.34 0.00 0.00 72.50 71.51 1lei s THR 78 CO 0.16 0.00 0.92 0.50 -0.54 0.00 0.00 174.62 175.66 1lei h LYS 79 N -2.85 -0.07 -7.12 3.99 3.64 -1.88 -3.37 116.57 108.91 1lei h LYS 79 Ca -0.56 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.37 1lei h LYS 79 Cb 1.34 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1lei h LYS 79 CO 0.44 0.54 0.36 -0.51 -2.27 0.00 0.00 179.45 178.01 1lei s ASP 80 N -5.79 6.79 0.00 4.20 -0.00 -1.26 -4.95 116.67 115.66 1lei s ASP 80 Ca -0.15 1.64 0.00 0.00 -0.00 0.00 0.00 52.55 54.04 1lei s ASP 80 Cb -0.00 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.39 1lei s ASP 80 CO 0.58 -0.47 0.00 -2.65 -0.00 0.00 0.00 175.17 172.63 1lei n PRO 81 N -1.08 0.00 -2.34 8.23 -0.02 -1.26 -2.81 135.00 135.73 1lei n PRO 81 Ca 0.07 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 1lei n PRO 81 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.01 1lei n PRO 81 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1lei n PRO 82 N -2.42 2.85 -1.57 0.52 -0.02 -1.26 -4.81 135.00 128.29 1lei n PRO 82 Ca 0.00 -3.01 -0.13 0.00 -2.02 0.00 0.00 63.50 58.33 1lei n PRO 82 Cb 0.00 -3.49 -0.10 0.00 -0.02 0.00 0.00 33.50 29.90 1lei n PRO 82 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1lei n HIS 83 N 8.99 1.02 -2.71 6.00 8.25 -1.12 -4.85 115.22 130.79 1lei n HIS 83 Ca 0.49 -0.09 -0.24 0.00 -0.26 0.00 0.00 57.72 57.62 1lei n HIS 83 Cb 0.45 -2.59 0.02 0.00 1.12 0.00 0.00 29.99 28.99 1lei n HIS 83 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1lei s ARG 84 N 8.71 2.97 0.25 -0.41 1.70 -1.26 -4.46 118.95 126.45 1lei s ARG 84 Ca 0.87 -0.30 -0.31 0.00 -0.47 0.00 0.00 55.73 55.52 1lei s ARG 84 Cb -0.09 -2.43 -0.13 0.00 -0.57 0.00 0.00 34.95 31.72 1lei s ARG 84 CO 0.14 -0.48 1.42 -2.30 -1.08 0.00 0.00 175.30 173.00 1lei n PRO 85 N -2.31 2.10 -3.62 3.89 -0.02 -1.26 -1.97 135.00 131.80 1lei n PRO 85 Ca 0.03 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.88 1lei n PRO 85 Cb 0.58 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1lei n PRO 85 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1lei s HIS 86 N -0.08 3.69 0.28 6.00 2.46 -0.08 -4.75 115.29 122.81 1lei s HIS 86 Ca 0.67 0.85 -0.01 0.00 0.47 0.00 0.00 55.06 57.04 1lei s HIS 86 Cb -0.63 -2.18 0.45 0.00 -0.13 0.00 0.00 32.58 30.08 1lei s HIS 86 CO 0.50 0.67 1.90 -1.00 -2.47 0.00 0.00 174.74 174.34 1lei h PRO 87 N 4.81 1.10 -6.96 2.88 0.13 -1.89 -3.44 132.00 128.64 1lei h PRO 87 Ca -0.53 -0.07 -0.49 0.00 -0.87 0.00 0.00 66.00 64.05 1lei h PRO 87 Cb 1.22 -0.25 0.22 0.00 0.13 0.00 0.00 31.00 32.32 1lei h PRO 87 CO 0.60 0.73 -0.37 0.72 -0.23 0.00 0.00 178.00 179.46 1lei n HIS 88 N -4.49 -0.84 -4.32 1.56 8.25 -1.26 -4.78 115.22 109.34 1lei n HIS 88 Ca 0.14 0.16 -0.30 0.00 -0.26 0.00 0.00 57.72 57.47 1lei n HIS 88 Cb 0.17 -1.77 -0.11 0.00 1.12 0.00 0.00 29.99 29.41 1lei n HIS 88 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1lei s GLU 89 N -4.01 1.98 -1.07 -0.41 2.02 -0.86 -4.89 118.70 111.45 1lei s GLU 89 Ca 0.62 -1.08 -0.08 0.00 0.02 0.00 0.00 54.97 54.45 1lei s GLU 89 Cb -0.20 -2.21 0.27 0.00 0.10 0.00 0.00 34.13 32.08 1lei s GLU 89 CO 0.64 0.50 1.05 -1.17 0.02 0.00 0.00 175.26 176.30 1lei s LEU 90 N -2.06 6.19 0.59 1.80 2.96 0.24 -0.07 118.68 128.32 1lei s LEU 90 Ca 0.19 -3.63 -0.16 0.00 -0.22 0.00 0.00 54.13 50.31 1lei s LEU 90 Cb -0.11 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1lei s LEU 90 CO 0.11 -0.26 1.06 0.68 -1.32 0.00 0.00 176.35 176.62 1lei s VAL 91 N -1.30 3.75 -5.00 1.68 -7.23 0.12 -4.33 120.40 108.10 1lei s VAL 91 Ca 0.30 0.85 0.00 0.00 -1.81 0.00 0.00 61.98 61.32 1lei s VAL 91 Cb -0.09 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.48 1lei s VAL 91 CO -0.09 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 1lei n GLY 92 N -0.88 0.66 3.61 2.32 0.00 -1.26 -0.72 105.19 108.92 1lei n GLY 92 Ca 0.09 -1.88 -0.53 0.00 0.00 0.00 0.00 46.02 43.70 1lei n GLY 92 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lei n LYS 93 N -1.63 1.20 -2.29 1.61 3.00 -1.25 -0.39 118.16 118.40 1lei n LYS 93 Ca 0.00 0.43 -0.17 0.00 -0.00 0.00 0.00 58.31 58.57 1lei n LYS 93 Cb 0.00 -2.09 -0.01 0.00 0.00 0.00 0.00 35.03 32.93 1lei n LYS 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1lei n ASP 94 N 3.08 -5.08 -4.45 3.14 10.43 -1.26 -4.87 116.55 117.54 1lei n ASP 94 Ca 0.20 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.23 1lei n ASP 94 Cb 0.19 -4.17 -0.13 0.00 1.84 0.00 0.00 41.12 38.85 1lei n ASP 94 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1lei s ARG 96 N 0.38 0.74 -0.26 0.00 3.03 -0.70 -4.69 118.95 117.46 1lei s ARG 96 Ca -0.06 -0.87 -0.02 0.00 2.03 0.00 0.00 55.73 56.81 1lei s ARG 96 Cb -0.15 0.30 0.02 0.00 -1.03 0.00 0.00 34.95 34.09 1lei s ARG 96 CO 0.04 -0.21 0.06 -0.25 -1.13 0.00 0.00 175.30 173.81 1lei n ASP 97 N 0.28 -1.31 0.00 -2.89 8.00 -1.26 -0.61 116.55 118.77 1lei n ASP 97 Ca -0.17 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1lei n ASP 97 Cb 0.61 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1lei n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lei n GLY 98 N -0.58 1.79 3.14 0.44 0.00 -1.26 -4.98 105.19 103.74 1lei n GLY 98 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1lei n GLY 98 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lei s TYR 99 N -2.34 0.88 -0.02 1.61 1.13 0.22 -0.59 117.35 118.23 1lei s TYR 99 Ca 0.00 -0.75 -0.14 0.00 -1.41 0.00 0.00 57.07 54.78 1lei s TYR 99 Cb 0.00 -0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 40.30 1lei s TYR 99 CO 0.00 -0.10 0.38 -0.47 -2.51 0.00 0.00 175.55 172.85 1lei s TYR 100 N -2.76 3.70 -0.15 -3.49 5.04 -0.67 -1.73 117.35 117.29 1lei s TYR 100 Ca 0.05 0.93 -0.08 0.00 -2.44 0.00 0.00 57.07 55.53 1lei s TYR 100 Cb -0.01 -2.26 0.06 0.00 0.35 0.00 0.00 41.96 40.10 1lei s TYR 100 CO -0.02 0.63 0.35 -2.00 -1.34 0.00 0.00 175.55 173.17 1lei s GLU 101 N -0.99 0.32 0.25 4.97 2.12 -0.93 -1.11 118.70 123.33 1lei s GLU 101 Ca 0.23 0.72 -0.17 0.00 0.36 0.00 0.00 54.97 56.11 1lei s GLU 101 Cb -0.16 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.21 1lei s GLU 101 CO 0.12 -0.17 0.58 0.00 -0.54 0.00 0.00 175.26 175.25 1lei s ALA 102 N 1.48 -0.76 0.14 6.30 0.00 -0.92 -4.89 121.76 123.12 1lei s ALA 102 Ca -0.08 -0.53 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 1lei s ALA 102 Cb -0.09 0.94 -0.07 0.00 0.00 0.00 0.00 23.12 23.90 1lei s ALA 102 CO -0.11 -0.92 0.63 -0.51 0.00 0.00 0.00 175.76 174.85 1lei s ASP 103 N -2.95 7.04 0.69 0.00 -0.00 -1.26 -1.48 116.67 118.70 1lei s ASP 103 Ca 0.16 1.30 -0.13 0.00 -0.00 0.00 0.00 52.55 53.88 1lei s ASP 103 Cb -0.03 -2.37 0.01 0.00 -0.00 0.00 0.00 42.92 40.53 1lei s ASP 103 CO 0.06 0.16 1.08 -0.76 -0.00 0.00 0.00 175.17 175.70 1lei s LEU 104 N -1.57 3.23 -0.40 1.23 1.43 -0.96 -4.88 118.68 116.76 1lei s LEU 104 Ca 0.36 1.78 -0.20 0.00 -1.03 0.00 0.00 54.13 55.04 1lei s LEU 104 Cb -0.18 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.53 1lei s LEU 104 CO 0.20 -1.57 0.60 0.00 0.23 0.00 0.00 176.35 175.81 1lei n PRO 106 N 6.08 0.11 0.11 0.00 -0.02 -1.22 -1.26 135.00 138.79 1lei n PRO 106 Ca -0.02 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 1lei n PRO 106 Cb 0.48 -2.01 0.14 0.00 -0.02 0.00 0.00 33.50 32.09 1lei n PRO 106 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1lei h ASP 107 N 0.00 0.00 -4.34 2.55 3.45 -1.92 -3.36 116.42 112.81 1lei h ASP 107 Ca 0.00 -0.08 -0.34 0.00 0.43 0.00 0.00 57.03 57.04 1lei h ASP 107 Cb 0.30 0.00 -0.18 0.00 -0.56 0.00 0.00 39.33 38.89 1lei h ASP 107 CO 0.00 0.04 -0.74 -0.13 -1.57 0.00 0.00 179.24 176.84 1lei s ARG 108 N -3.23 0.87 -0.03 3.56 1.81 -0.39 -5.04 118.95 116.50 1lei s ARG 108 Ca 0.05 -1.15 0.16 0.00 -1.72 0.00 0.00 55.73 53.07 1lei s ARG 108 Cb 0.10 -0.60 -0.24 0.00 -0.45 0.00 0.00 34.95 33.76 1lei s ARG 108 CO 0.72 0.10 0.34 -1.13 -0.68 0.00 0.00 175.30 174.65 1lei n SER 109 N 0.62 1.38 -4.75 0.23 3.41 -1.26 -4.65 113.62 108.60 1lei n SER 109 Ca -0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.08 1lei n SER 109 Cb 0.57 1.70 -0.07 0.00 -0.26 0.00 0.00 64.21 66.15 1lei n SER 109 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1lei s ILE 110 N -3.08 5.32 -0.04 -1.33 1.01 -1.26 -1.08 121.20 120.74 1lei s ILE 110 Ca -0.06 0.49 0.01 0.00 0.00 0.00 0.00 60.65 61.09 1lei s ILE 110 Cb 0.10 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1lei s ILE 110 CO 0.66 0.44 -0.02 -1.00 0.00 0.00 0.00 174.94 175.01 1lei s HIS 111 N 0.14 0.55 0.09 3.97 3.76 0.57 -5.00 115.29 119.38 1lei s HIS 111 Ca 0.16 -0.11 0.09 0.00 -0.15 0.00 0.00 55.06 55.05 1lei s HIS 111 Cb -0.13 -0.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 1lei s HIS 111 CO 0.04 -0.17 -0.25 -1.54 -0.85 0.00 0.00 174.74 171.98 1lei s SER 112 N 1.00 3.00 -0.21 1.40 1.04 -1.26 -0.63 113.70 118.04 1lei s SER 112 Ca -0.10 -0.66 -0.00 0.00 0.48 0.00 0.00 55.95 55.67 1lei s SER 112 Cb -0.14 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.78 1lei s SER 112 CO -0.01 0.18 -0.13 -0.36 0.98 0.00 0.00 173.24 173.89 1lei s PHE 113 N -0.97 2.93 -0.36 5.02 0.40 -0.68 -5.01 117.98 119.31 1lei s PHE 113 Ca 0.11 -1.59 0.15 0.00 -0.60 0.00 0.00 56.93 55.00 1lei s PHE 113 Cb -0.10 -1.98 0.80 0.00 0.51 0.00 0.00 43.02 42.25 1lei s PHE 113 CO 0.04 -0.76 1.73 1.04 0.70 0.00 0.00 175.22 177.97 1lei n GLN 114 N 4.64 4.71 -2.69 0.44 6.02 -1.26 -4.00 117.38 125.25 1lei n GLN 114 Ca -0.19 -3.13 -0.08 0.00 -0.01 0.00 0.00 57.00 53.59 1lei n GLN 114 Cb 0.49 -2.21 0.08 0.00 1.02 0.00 0.00 30.24 29.61 1lei n GLN 114 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1lei n ASN 115 N 0.65 -0.45 -4.72 1.08 4.05 -1.26 -4.92 115.26 109.69 1lei n ASN 115 Ca 0.27 -2.58 -0.36 0.00 0.45 0.00 0.00 54.58 52.36 1lei n ASN 115 Cb 1.16 0.35 -0.07 0.00 1.23 0.00 0.00 39.78 42.44 1lei n ASN 115 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1lei s LEU 116 N -3.15 4.23 -0.03 1.20 1.43 -1.26 -3.88 118.68 117.21 1lei s LEU 116 Ca 0.24 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1lei s LEU 116 Cb 0.42 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1lei s LEU 116 CO -0.03 0.09 -0.01 -0.83 0.23 0.00 0.00 176.35 175.79 1lei s GLY 117 N 0.54 0.28 -0.09 -3.19 0.00 0.11 0.06 107.32 105.02 1lei s GLY 117 Ca 0.16 0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.69 1lei s GLY 117 CO 0.04 0.52 1.01 -0.42 0.00 0.00 0.00 173.10 174.25 1lei s ILE 118 N 0.93 4.77 -0.45 0.90 1.09 -1.26 0.15 121.20 127.33 1lei s ILE 118 Ca -0.10 2.02 -0.06 0.00 -1.10 0.00 0.00 60.65 61.42 1lei s ILE 118 Cb -0.13 -4.30 0.12 0.00 -1.06 0.00 0.00 42.46 37.08 1lei s ILE 118 CO -0.01 0.02 0.28 -1.58 -0.10 0.00 0.00 174.94 173.55 1lei s GLN 119 N 1.90 2.24 0.23 2.79 0.74 0.89 -3.12 119.66 125.34 1lei s GLN 119 Ca 0.49 -1.83 -0.30 0.00 0.05 0.00 0.00 55.36 53.78 1lei s GLN 119 Cb -0.19 -3.75 -0.09 0.00 1.10 0.00 0.00 33.01 30.08 1lei s GLN 119 CO 0.19 -1.13 1.21 0.00 -0.55 0.00 0.00 175.29 175.01 1lei s VAL 121 N -0.48 3.50 0.75 0.00 -7.23 -1.26 -4.50 120.40 111.17 1lei s VAL 121 Ca 0.51 0.20 -0.12 0.00 -1.81 0.00 0.00 61.98 60.77 1lei s VAL 121 Cb -0.34 -3.44 0.04 0.00 0.56 0.00 0.00 36.38 33.20 1lei s VAL 121 CO 0.41 -0.51 1.11 -0.75 -0.31 0.00 0.00 175.10 175.04 1lei s LYS 122 N -5.18 2.48 0.12 4.82 2.20 -1.26 -4.98 119.74 117.94 1lei s LYS 122 Ca 0.56 0.49 -0.15 0.00 -0.36 0.00 0.00 55.97 56.51 1lei s LYS 122 Cb -0.11 -1.98 -0.03 0.00 -1.51 0.00 0.00 37.83 34.20 1lei s LYS 122 CO 0.48 -1.31 1.55 -0.22 -0.36 0.00 0.00 175.35 175.49 1lei h LYS 123 N -0.86 0.67 0.00 4.03 1.63 -2.02 -3.11 116.57 116.92 1lei h LYS 123 Ca -0.46 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.11 1lei h LYS 123 Cb 1.27 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1lei h LYS 123 CO 0.62 0.79 0.00 2.89 -3.45 0.00 0.00 179.45 180.31 1lei n ARG 124 N -4.45 0.72 -0.35 1.90 1.85 -1.26 -2.37 116.66 112.70 1lei n ARG 124 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.93 1lei n ARG 124 Cb 0.30 -1.47 0.23 0.00 -1.05 0.00 0.00 32.46 30.47 1lei n ARG 124 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1lei n ASP 125 N -0.97 3.50 0.07 2.89 10.43 -1.17 -4.70 116.55 126.60 1lei n ASP 125 Ca 0.16 -3.04 -0.13 0.00 2.57 0.00 0.00 54.79 54.36 1lei n ASP 125 Cb 0.07 -0.52 -0.08 0.00 1.84 0.00 0.00 41.12 42.44 1lei n ASP 125 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1lei h LEU 126 N 1.35 -0.10 -0.98 0.64 5.85 -1.58 -0.79 115.31 119.70 1lei h LEU 126 Ca 0.00 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1lei h LEU 126 Cb 1.33 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1lei h LEU 126 CO 0.17 0.01 0.10 -0.33 -0.34 0.00 0.00 178.44 178.05 1lei h GLU 127 N -0.21 0.84 -0.35 1.25 5.08 -1.85 -2.11 114.58 117.23 1lei h GLU 127 Ca -0.01 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1lei h GLU 127 Cb 0.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1lei h GLU 127 CO 0.02 0.78 0.08 0.37 -1.00 0.00 0.00 179.01 179.26 1lei h GLN 128 N 0.80 0.56 -0.52 2.33 4.15 -1.85 -1.71 115.11 118.87 1lei h GLN 128 Ca 0.17 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.52 1lei h GLN 128 Cb 0.34 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.90 1lei h GLN 128 CO 0.00 0.61 0.20 0.00 -1.93 0.00 0.00 178.83 177.71 1lei h ALA 129 N 0.92 0.65 -0.33 3.38 0.00 -0.74 -0.59 119.26 122.55 1lei h ALA 129 Ca 0.11 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1lei h ALA 129 Cb 0.30 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1lei h ALA 129 CO 0.00 -0.19 0.06 0.82 0.00 0.00 0.00 179.25 179.94 1lei h ILE 130 N 0.38 1.23 -0.91 0.00 1.08 -1.26 -2.20 117.51 115.84 1lei h ILE 130 Ca 0.25 -0.81 0.14 0.00 -0.39 0.00 0.00 64.86 64.05 1lei h ILE 130 Cb 0.26 1.12 -0.07 0.00 -3.07 0.00 0.00 36.82 35.06 1lei h ILE 130 CO -0.24 0.27 0.58 0.28 -0.69 0.00 0.00 178.15 178.35 1lei h SER 131 N 0.38 0.71 1.25 1.72 0.02 -0.67 0.55 113.55 117.50 1lei h SER 131 Ca 0.10 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1lei h SER 131 Cb 0.34 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1lei h SER 131 CO 0.01 0.36 -0.02 1.56 -1.14 0.00 0.00 176.83 177.60 1lei h GLN 132 N 0.75 0.00 0.14 3.45 4.20 -0.73 0.79 115.11 123.71 1lei h GLN 132 Ca 0.45 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.88 1lei h GLN 132 Cb 0.66 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.45 1lei h GLN 132 CO -0.21 0.02 -1.25 0.00 -0.67 0.00 0.00 178.83 176.72 1lei h ARG 133 N 0.00 0.37 0.13 1.46 2.47 0.62 -2.77 114.38 116.65 1lei h ARG 133 Ca -0.00 -0.58 -0.01 0.00 -1.26 0.00 0.00 59.98 58.13 1lei h ARG 133 Cb 0.65 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1lei h ARG 133 CO 0.00 1.26 -0.06 0.82 0.56 0.00 0.00 179.97 182.55 1lei h ILE 134 N 0.13 0.00 0.00 2.04 2.04 -0.85 0.06 117.51 120.93 1lei h ILE 134 Ca -0.16 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1lei h ILE 134 Cb 1.95 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1lei h ILE 134 CO 0.22 0.00 0.48 -0.61 0.00 0.00 0.00 178.15 178.24 1lei h GLN 135 N -0.46 0.00 -0.05 2.37 4.15 -0.99 0.80 115.11 120.93 1lei h GLN 135 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1lei h GLN 135 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1lei h GLN 135 CO 0.03 0.00 0.00 -2.37 -1.93 0.00 0.00 178.83 174.56 1lei n THR 136 N -2.16 0.06 -3.46 2.39 5.66 -1.05 -4.98 114.28 110.74 1lei n THR 136 Ca -0.01 -0.53 -0.19 0.00 -3.05 0.00 0.00 64.05 60.27 1lei n THR 136 Cb 0.50 1.33 0.08 0.00 -1.55 0.00 0.00 70.33 70.69 1lei n THR 136 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1lei n ASN 137 N 1.02 -3.97 -4.18 1.09 5.03 0.28 -4.95 115.26 109.59 1lei n ASN 137 Ca 0.11 -0.56 -0.40 0.00 0.87 0.00 0.00 54.58 54.60 1lei n ASN 137 Cb 0.46 -4.93 -0.06 0.00 -1.02 0.00 0.00 39.78 34.22 1lei n ASN 137 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1lei s ASN 138 N -3.85 5.91 -0.46 6.41 3.84 -0.01 -4.90 114.94 121.88 1lei s ASN 138 Ca 0.26 -3.02 0.06 0.00 0.21 0.00 0.00 52.86 50.37 1lei s ASN 138 Cb -0.11 -1.98 0.20 0.00 -0.55 0.00 0.00 41.25 38.80 1lei s ASN 138 CO 0.70 -0.39 0.60 -3.20 -2.79 0.00 0.00 177.10 172.03 1lei n ASN 139 N 3.36 -1.85 -0.16 -4.21 2.85 -1.26 -4.52 115.26 109.46 1lei n ASN 139 Ca 0.13 -2.78 0.23 0.00 -0.11 0.00 0.00 54.58 52.05 1lei n ASN 139 Cb 0.40 0.67 0.64 0.00 1.24 0.00 0.00 39.78 42.73 1lei n ASN 139 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1lei h PRO 140 N 4.85 0.14 -0.38 1.20 0.11 -1.90 -1.19 132.00 134.84 1lei h PRO 140 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1lei h PRO 140 Cb 1.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1lei h PRO 140 CO 0.25 0.10 0.00 1.19 -0.21 0.00 0.00 178.00 179.33 1lei n PHE 141 N -4.38 1.23 -4.27 0.65 3.01 -1.26 -4.92 117.46 107.51 1lei n PHE 141 Ca 0.16 -0.79 -0.34 0.00 1.01 0.00 0.00 57.45 57.49 1lei n PHE 141 Cb 0.77 -0.34 -0.06 0.00 -0.01 0.00 0.00 39.48 39.85 1lei n PHE 141 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1lei n HIS 142 N -0.02 -1.46 -2.09 1.38 8.25 -0.45 -4.87 115.22 115.95 1lei n HIS 142 Ca 0.23 0.71 -0.41 0.00 -0.26 0.00 0.00 57.72 57.99 1lei n HIS 142 Cb 0.93 -2.81 -0.02 0.00 1.12 0.00 0.00 29.99 29.21 1lei n HIS 142 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1lei s VAL 143 N -3.69 2.74 0.27 1.59 1.01 -1.26 -4.93 120.40 116.12 1lei s VAL 143 Ca 0.43 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 1lei s VAL 143 Cb -0.24 -3.44 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 1lei s VAL 143 CO 0.96 0.14 1.07 -2.65 0.00 0.00 0.00 175.10 174.63 1lei n PRO 144 N 1.39 1.39 0.27 2.72 -0.02 -1.26 -4.84 135.00 134.64 1lei n PRO 144 Ca 0.02 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.12 1lei n PRO 144 Cb 0.41 -1.91 0.74 0.00 -0.02 0.00 0.00 33.50 32.72 1lei n PRO 144 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1lei h ILE 145 N 2.20 0.61 0.00 4.25 1.08 -2.01 -1.84 117.51 121.80 1lei h ILE 145 Ca -0.41 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1lei h ILE 145 Cb 1.33 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 1lei h ILE 145 CO 0.63 0.10 0.00 1.05 -0.69 0.00 0.00 178.15 179.25 1lei h GLU 146 N 0.00 0.00 0.00 2.37 9.09 -2.03 -2.65 114.58 121.35 1lei h GLU 146 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1lei h GLU 146 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1lei h GLU 146 CO 0.01 0.00 -0.67 0.93 0.05 0.00 0.00 179.01 179.33 1lei h GLU 147 N 0.00 0.00 -1.01 1.06 5.08 -1.68 -3.35 114.58 114.68 1lei h GLU 147 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lei h GLU 147 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1lei h GLU 147 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1lei n GLN 148 N -2.46 0.83 -0.01 2.33 6.02 -1.00 -3.05 117.38 120.05 1lei n GLN 148 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 1lei n GLN 148 Cb 0.49 -1.24 -0.04 0.00 1.02 0.00 0.00 30.24 30.47 1lei n GLN 148 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1lei n ARG 149 N 0.35 1.43 -1.90 -1.09 1.85 -1.26 -5.02 116.66 111.02 1lei n ARG 149 Ca 0.00 -0.03 -0.37 0.00 -1.00 0.00 0.00 57.85 56.45 1lei n ARG 149 Cb 0.32 -1.13 0.04 0.00 -1.05 0.00 0.00 32.46 30.64 1lei n ARG 149 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1lei s GLY 150 N -3.05 2.81 0.38 2.89 0.00 -1.17 -4.91 107.32 104.27 1lei s GLY 150 Ca -0.02 1.13 -0.17 0.00 0.00 0.00 0.00 44.72 45.65 1lei s GLY 150 CO 0.22 1.55 0.00 1.22 0.00 0.00 0.00 173.10 176.10 1lei n ASP 151 N -1.55 -2.74 -4.25 1.64 8.00 -1.26 -4.98 116.55 111.42 1lei n ASP 151 Ca 0.14 0.64 -0.30 0.00 0.71 0.00 0.00 54.79 55.98 1lei n ASP 151 Cb 0.48 -0.75 -0.16 0.00 -0.02 0.00 0.00 41.12 40.67 1lei n ASP 151 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1lei s TYR 152 N -1.55 2.26 -0.34 1.24 1.51 -1.26 -5.09 117.35 114.12 1lei s TYR 152 Ca 0.50 -0.62 -0.29 0.00 -1.01 0.00 0.00 57.07 55.65 1lei s TYR 152 Cb -0.50 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1lei s TYR 152 CO 0.55 -0.17 1.10 0.34 -1.11 0.00 0.00 175.55 176.25 1lei s ASP 153 N -0.22 6.87 0.00 2.29 3.68 -1.26 -4.90 116.67 123.14 1lei s ASP 153 Ca -0.01 0.96 0.18 0.00 2.13 0.00 0.00 52.55 55.82 1lei s ASP 153 Cb -0.12 -2.54 0.54 0.00 -1.45 0.00 0.00 42.92 39.34 1lei s ASP 153 CO 0.02 -0.95 1.43 0.18 0.13 0.00 0.00 175.17 175.99 1lei n LEU 154 N 7.06 2.36 -0.43 -1.34 4.77 -1.26 -3.96 117.00 124.20 1lei n LEU 154 Ca 0.12 -1.08 0.04 0.00 -0.03 0.00 0.00 56.01 55.06 1lei n LEU 154 Cb 0.47 -0.22 0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1lei n LEU 154 CO 0.61 0.54 0.53 0.59 -1.33 0.00 0.00 177.39 178.33 1lei n ASN 155 N 0.78 2.36 -3.72 -1.43 3.02 -1.26 -4.88 115.26 110.13 1lei n ASN 155 Ca 0.16 -1.78 -0.12 0.00 -0.03 0.00 0.00 54.58 52.82 1lei n ASN 155 Cb 0.41 -0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.34 1lei n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lei s ALA 156 N -0.90 -0.71 0.15 5.41 0.00 -1.25 -0.10 121.76 124.35 1lei s ALA 156 Ca 0.15 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 1lei s ALA 156 Cb 0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1lei s ALA 156 CO 0.11 -0.22 0.04 0.14 0.00 0.00 0.00 175.76 175.84 1lei s VAL 157 N 1.30 0.28 0.00 0.00 -7.23 -0.87 -4.27 120.40 109.61 1lei s VAL 157 Ca -0.09 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 1lei s VAL 157 Cb -0.10 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 1lei s VAL 157 CO -0.10 -0.46 -0.18 -0.13 -0.31 0.00 0.00 175.10 173.93 1lei s ARG 158 N -4.01 1.35 0.36 4.82 0.52 0.26 -0.83 118.95 121.42 1lei s ARG 158 Ca 0.24 -0.70 -0.25 0.00 -0.52 0.00 0.00 55.73 54.50 1lei s ARG 158 Cb 0.07 -1.34 -0.10 0.00 0.52 0.00 0.00 34.95 34.10 1lei s ARG 158 CO 0.03 0.36 0.98 -0.51 0.02 0.00 0.00 175.30 176.17 1lei s LEU 159 N -0.65 4.23 -0.12 2.53 1.43 -1.26 -1.41 118.68 123.43 1lei s LEU 159 Ca 0.06 1.88 -0.01 0.00 -1.03 0.00 0.00 54.13 55.03 1lei s LEU 159 Cb -0.07 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 42.04 1lei s LEU 159 CO 0.00 -0.23 -0.06 0.00 0.23 0.00 0.00 176.35 176.29 1lei s PHE 161 N 1.73 3.19 -0.61 0.00 0.08 -0.21 -1.74 117.98 120.43 1lei s PHE 161 Ca 0.04 -1.21 -0.17 0.00 0.12 0.00 0.00 56.93 55.71 1lei s PHE 161 Cb -0.13 -3.88 0.13 0.00 -0.57 0.00 0.00 43.02 38.58 1lei s PHE 161 CO -0.08 -1.11 0.63 -0.65 -0.10 0.00 0.00 175.22 173.90 1lei s GLN 162 N 1.91 3.11 -0.19 0.44 -0.21 0.79 -3.19 119.66 122.32 1lei s GLN 162 Ca 0.07 -1.67 -0.09 0.00 0.02 0.00 0.00 55.36 53.69 1lei s GLN 162 Cb -0.27 -4.33 -0.05 0.00 1.00 0.00 0.00 33.01 29.37 1lei s GLN 162 CO 0.03 -1.42 0.12 0.08 -2.12 0.00 0.00 175.29 171.99 1lei s VAL 163 N 1.85 5.33 -0.22 1.09 1.01 -1.26 -0.79 120.40 127.41 1lei s VAL 163 Ca 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 1lei s VAL 163 Cb -0.25 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1lei s VAL 163 CO 0.02 0.46 -0.07 -0.89 0.00 0.00 0.00 175.10 174.62 1lei s THR 164 N 0.23 3.12 0.00 3.92 2.01 0.12 -0.74 115.64 124.30 1lei s THR 164 Ca 0.08 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1lei s THR 164 Cb -0.11 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.98 1lei s THR 164 CO -0.01 0.43 0.00 1.33 -0.69 0.00 0.00 174.62 175.68 1lei n VAL 165 N 4.76 0.00 -4.09 3.82 0.24 0.20 -0.63 118.33 122.62 1lei n VAL 165 Ca -0.19 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.97 1lei n VAL 165 Cb 0.50 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.74 1lei n VAL 165 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1lei s ARG 166 N 3.67 0.39 0.59 7.34 1.81 -1.26 -1.63 118.95 129.86 1lei s ARG 166 Ca 0.00 -0.30 0.04 0.00 -1.72 0.00 0.00 55.73 53.76 1lei s ARG 166 Cb 0.00 -0.31 0.07 0.00 -0.45 0.00 0.00 34.95 34.26 1lei s ARG 166 CO 0.00 0.08 0.81 0.16 -0.68 0.00 0.00 175.30 175.67 1lei s ASP 167 N -0.46 5.00 0.27 0.23 3.84 -0.33 -4.87 116.67 120.34 1lei s ASP 167 Ca -0.01 -0.44 0.00 0.00 -0.00 0.00 0.00 52.55 52.10 1lei s ASP 167 Cb -0.04 -0.22 0.56 0.00 -1.38 0.00 0.00 42.92 41.84 1lei s ASP 167 CO -0.00 -1.36 1.78 -0.65 -0.00 0.00 0.00 175.17 174.94 1lei h PRO 168 N 0.02 0.71 0.00 2.11 0.11 -2.02 1.15 132.00 134.07 1lei h PRO 168 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1lei h PRO 168 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1lei h PRO 168 CO 0.44 0.47 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 1lei n ALA 169 N -2.39 1.81 -1.55 -0.75 0.00 -1.26 -4.76 120.51 111.62 1lei n ALA 169 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 1lei n ALA 169 Cb 0.43 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1lei n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lei n GLY 170 N -0.42 1.02 3.97 0.00 0.00 0.40 -5.01 105.19 105.15 1lei n GLY 170 Ca 0.05 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 1lei n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lei s ARG 171 N -3.38 3.31 0.14 1.61 0.52 -1.25 -4.75 118.95 115.15 1lei s ARG 171 Ca 0.00 -0.76 -0.31 0.00 -0.52 0.00 0.00 55.73 54.13 1lei s ARG 171 Cb 0.00 -2.81 -0.11 0.00 0.52 0.00 0.00 34.95 32.55 1lei s ARG 171 CO 0.00 0.21 1.81 -2.14 0.02 0.00 0.00 175.30 175.20 1lei s PRO 172 N -4.14 4.13 -0.26 3.54 0.02 -1.26 -1.19 135.00 135.84 1lei s PRO 172 Ca 0.40 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1lei s PRO 172 Cb -0.09 -3.47 0.07 0.00 0.02 0.00 0.00 34.50 31.03 1lei s PRO 172 CO 0.31 -0.82 0.00 -1.17 -0.33 0.00 0.00 177.00 174.99 1lei s LEU 173 N 2.37 2.60 -0.44 -5.54 2.96 -0.64 -4.85 118.68 115.14 1lei s LEU 173 Ca 0.80 -1.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.08 1lei s LEU 173 Cb -0.47 -1.10 0.03 0.00 0.50 0.00 0.00 46.19 45.15 1lei s LEU 173 CO 0.35 -0.30 1.10 -0.22 -1.32 0.00 0.00 176.35 175.96 1lei s LEU 174 N 1.44 3.75 0.76 -0.68 2.96 -1.26 -0.63 118.68 125.01 1lei s LEU 174 Ca -0.00 0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 54.37 1lei s LEU 174 Cb -0.18 -3.50 0.05 0.00 0.50 0.00 0.00 46.19 43.05 1lei s LEU 174 CO -0.10 -1.14 1.08 -0.76 -1.32 0.00 0.00 176.35 174.11 1lei s LEU 175 N 4.17 3.03 0.12 -0.68 1.02 0.08 -4.96 118.68 121.47 1lei s LEU 175 Ca 0.46 1.75 -0.31 0.00 0.02 0.00 0.00 54.13 56.05 1lei s LEU 175 Cb -0.09 -4.49 -0.09 0.00 0.02 0.00 0.00 46.19 41.55 1lei s LEU 175 CO 0.27 -1.89 1.50 0.28 0.02 0.00 0.00 176.35 176.53 1lei s THR 176 N -2.95 3.00 0.27 5.49 -1.32 -1.26 -4.55 115.64 114.33 1lei s THR 176 Ca 0.60 0.67 -0.29 0.00 -1.21 0.00 0.00 61.69 61.46 1lei s THR 176 Cb -0.16 -3.43 -0.14 0.00 -1.51 0.00 0.00 72.50 67.26 1lei s THR 176 CO 0.56 0.04 1.18 -2.65 -2.21 0.00 0.00 174.62 171.54 1lei n PRO 177 N 4.29 1.64 -4.65 7.08 -0.02 -1.26 -4.69 135.00 137.39 1lei n PRO 177 Ca 0.13 0.58 -0.24 0.00 -2.02 0.00 0.00 63.50 61.95 1lei n PRO 177 Cb 0.40 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 1lei n PRO 177 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1lei s VAL 178 N -0.72 1.39 0.18 -1.45 -7.23 -1.19 -4.98 120.40 106.40 1lei s VAL 178 Ca 0.62 -0.94 0.07 0.00 -1.81 0.00 0.00 61.98 59.92 1lei s VAL 178 Cb -0.68 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1lei s VAL 178 CO 0.57 0.24 0.01 -0.76 -0.31 0.00 0.00 175.10 174.85 1lei s LEU 179 N -0.82 3.35 0.00 1.32 1.43 -1.26 -1.04 118.68 121.66 1lei s LEU 179 Ca 0.06 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1lei s LEU 179 Cb -0.08 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.19 1lei s LEU 179 CO 0.01 0.08 0.34 -1.54 0.23 0.00 0.00 176.35 175.47 1lei n SER 180 N -0.18 0.98 -4.76 2.29 3.41 -0.99 -5.00 113.62 109.37 1lei n SER 180 Ca -0.09 -1.68 -0.30 0.00 -0.26 0.00 0.00 58.87 56.53 1lei n SER 180 Cb 0.55 -0.17 0.10 0.00 -0.26 0.00 0.00 64.21 64.43 1lei n SER 180 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1lei s HIS 181 N -0.62 2.57 0.52 7.33 0.09 -1.26 -4.66 115.29 119.25 1lei s HIS 181 Ca 0.26 1.39 -0.19 0.00 -0.00 0.00 0.00 55.06 56.52 1lei s HIS 181 Cb -0.02 -3.08 -0.07 0.00 -0.00 0.00 0.00 32.58 29.41 1lei s HIS 181 CO 0.16 -1.95 1.04 -1.25 -0.00 0.00 0.00 174.74 172.74 1lei s PRO 182 N -4.96 3.69 -0.15 8.40 0.04 -1.26 -4.49 135.00 136.26 1lei s PRO 182 Ca 0.62 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 1lei s PRO 182 Cb -0.17 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1lei s PRO 182 CO 0.56 -0.52 -0.11 0.42 0.04 0.00 0.00 177.00 177.39 1lei s ILE 183 N -2.15 3.07 0.03 0.56 1.01 -0.01 -4.50 121.20 119.20 1lei s ILE 183 Ca 0.66 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1lei s ILE 183 Cb -0.16 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1lei s ILE 183 CO 0.25 0.50 0.10 -0.36 0.00 0.00 0.00 174.94 175.43 1lei s PHE 184 N 0.66 3.29 -0.33 3.97 0.40 0.95 -2.06 117.98 124.87 1lei s PHE 184 Ca -0.06 0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 56.16 1lei s PHE 184 Cb -0.15 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 1lei s PHE 184 CO 0.02 0.55 1.63 0.34 0.70 0.00 0.00 175.22 178.47 1lei s ASP 185 N -2.01 6.14 0.37 1.36 3.68 0.86 -4.61 116.67 122.46 1lei s ASP 185 Ca 0.26 1.22 0.28 0.00 2.13 0.00 0.00 52.55 56.44 1lei s ASP 185 Cb -0.12 -2.53 1.11 0.00 -1.45 0.00 0.00 42.92 39.92 1lei s ASP 185 CO 0.18 -1.52 1.82 -1.13 0.13 0.00 0.00 175.17 174.65 1lei h ASN 186 N 11.70 0.00 0.35 -0.34 -1.24 -1.55 -1.88 115.58 122.62 1lei h ASN 186 Ca -0.32 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.68 1lei h ASN 186 Cb 1.14 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 1lei h ASN 186 CO 1.04 0.00 -0.08 -0.09 -1.29 0.00 0.00 177.43 177.01 1lei h ARG 187 N 0.00 0.00 -5.04 6.67 2.43 -1.89 -3.40 114.38 113.15 1lei h ARG 187 Ca 0.00 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.50 1lei h ARG 187 Cb 0.46 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 29.84 1lei h ARG 187 CO 0.00 0.08 -0.16 0.00 -1.51 0.00 0.00 179.97 178.38 1lei s ALA 188 N -4.17 3.45 0.31 2.80 0.00 -0.71 -4.97 121.76 118.47 1lei s ALA 188 Ca -0.03 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.75 1lei s ALA 188 Cb 0.13 -3.00 0.86 0.00 0.00 0.00 0.00 23.12 21.12 1lei s ALA 188 CO 0.55 -1.35 1.67 -1.35 0.00 0.00 0.00 175.76 175.28 1lei h PRO 189 N 8.59 0.30 0.00 0.00 0.11 -1.85 0.65 132.00 139.80 1lei h PRO 189 Ca -0.28 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 1lei h PRO 189 Cb 1.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1lei h PRO 189 CO 0.77 0.20 -0.31 -2.95 -0.21 0.00 0.00 178.00 175.50 1lei h ASN 190 N 0.31 0.00 -0.07 -2.05 7.08 -1.92 -3.00 115.58 115.93 1lei h ASN 190 Ca 0.63 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.85 1lei h ASN 190 Cb 1.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.56 1lei h ASN 190 CO -0.60 0.31 0.00 0.35 -2.08 0.00 0.00 177.43 175.41 1lei n THR 191 N -4.07 0.19 -1.10 6.14 -2.24 -0.17 -4.93 114.28 108.10 1lei n THR 191 Ca -0.02 -0.59 -0.31 0.00 -2.27 0.00 0.00 64.05 60.85 1lei n THR 191 Cb 0.36 1.08 0.12 0.00 -2.10 0.00 0.00 70.33 69.79 1lei n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lei s ALA 192 N -0.89 1.98 -0.05 6.98 0.00 0.21 -4.67 121.76 125.33 1lei s ALA 192 Ca 0.14 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1lei s ALA 192 Cb 0.09 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1lei s ALA 192 CO 0.13 -2.10 1.09 -2.00 0.00 0.00 0.00 175.76 172.88 1lei s GLU 193 N -4.71 4.43 0.29 0.00 2.12 -1.26 -4.91 118.70 114.65 1lei s GLU 193 Ca 0.64 1.53 -0.29 0.00 0.36 0.00 0.00 54.97 57.21 1lei s GLU 193 Cb -0.20 -3.51 -0.10 0.00 0.26 0.00 0.00 34.13 30.59 1lei s GLU 193 CO 0.55 -0.30 1.21 -0.51 -0.54 0.00 0.00 175.26 175.67 1lei s LEU 194 N 1.76 4.48 -0.25 2.70 1.43 -1.26 -4.92 118.68 122.63 1lei s LEU 194 Ca 0.53 2.44 -0.05 0.00 -1.03 0.00 0.00 54.13 56.01 1lei s LEU 194 Cb -0.22 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.50 1lei s LEU 194 CO 0.23 -0.34 0.50 -0.75 0.23 0.00 0.00 176.35 176.21 1lei s LYS 195 N -1.38 0.44 -0.22 1.70 2.20 -1.26 -4.47 119.74 116.75 1lei s LYS 195 Ca 0.48 1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 56.82 1lei s LYS 195 Cb -0.35 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.30 1lei s LYS 195 CO 0.45 -0.41 1.08 0.42 -0.36 0.00 0.00 175.35 176.53 1lei s ILE 196 N 2.72 4.61 -0.20 5.43 1.01 -1.26 -2.34 121.20 131.17 1lei s ILE 196 Ca 0.05 1.95 -0.13 0.00 0.00 0.00 0.00 60.65 62.52 1lei s ILE 196 Cb -0.13 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 37.88 1lei s ILE 196 CO -0.17 -0.17 0.13 0.00 0.00 0.00 0.00 174.94 174.73 1lei s ARG 198 N -2.47 0.75 -0.05 0.00 3.52 -0.86 -4.99 118.95 114.86 1lei s ARG 198 Ca -0.29 -0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 54.84 1lei s ARG 198 Cb 0.08 0.32 0.02 0.00 -1.56 0.00 0.00 34.95 33.81 1lei s ARG 198 CO 0.63 -0.23 0.12 0.54 -0.81 0.00 0.00 175.30 175.56 1lei s VAL 199 N -2.17 -0.01 0.14 7.11 0.11 -1.26 -0.12 120.40 124.20 1lei s VAL 199 Ca -0.08 0.04 -0.32 0.00 -2.93 0.00 0.00 61.98 58.69 1lei s VAL 199 Cb -0.02 -0.19 -0.09 0.00 -1.53 0.00 0.00 36.38 34.55 1lei s VAL 199 CO -0.01 0.01 1.55 -1.13 -3.33 0.00 0.00 175.10 172.19 1lei h ASN 200 N 6.21 -1.95 -5.05 3.54 -0.00 -1.02 -3.44 115.58 113.87 1lei h ASN 200 Ca -0.28 0.27 -0.11 0.00 -0.00 0.00 0.00 56.30 56.18 1lei h ASN 200 Cb 1.19 0.83 -0.18 0.00 -0.00 0.00 0.00 38.32 40.16 1lei h ASN 200 CO 0.43 -0.34 -0.36 0.00 -0.00 0.00 0.00 177.43 177.15 1lei s ARG 201 N -5.61 0.69 -0.15 6.67 1.70 -1.26 -4.98 118.95 116.02 1lei s ARG 201 Ca -0.14 -0.54 0.17 0.00 -0.47 0.00 0.00 55.73 54.76 1lei s ARG 201 Cb 0.10 0.29 0.31 0.00 -0.57 0.00 0.00 34.95 35.08 1lei s ARG 201 CO 0.62 -0.20 1.16 0.27 -1.08 0.00 0.00 175.30 176.07 1lei n ASN 202 N 0.81 2.22 -3.90 -2.89 0.23 -1.26 -4.97 115.26 105.50 1lei n ASN 202 Ca -0.19 -3.25 -0.10 0.00 -0.53 0.00 0.00 54.58 50.51 1lei n ASN 202 Cb 0.58 -0.45 -0.06 0.00 -2.08 0.00 0.00 39.78 37.77 1lei n ASN 202 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1lei s SER 203 N -2.94 -0.04 0.00 0.53 1.04 -1.26 -0.89 113.70 110.13 1lei s SER 203 Ca 0.33 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1lei s SER 203 Cb 0.30 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1lei s SER 203 CO 0.01 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1lei n GLY 204 N -0.25 0.48 3.76 7.32 0.00 -0.68 -4.94 105.19 110.87 1lei n GLY 204 Ca -0.08 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1lei n GLY 204 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lei s SER 205 N 0.00 5.48 0.00 1.61 0.15 -1.26 -0.11 113.70 119.57 1lei s SER 205 Ca 0.00 2.45 0.04 0.00 0.70 0.00 0.00 55.95 59.14 1lei s SER 205 Cb 0.00 -2.61 0.23 0.00 -1.71 0.00 0.00 66.02 61.93 1lei s SER 205 CO 0.00 -1.40 0.71 0.00 1.20 0.00 0.00 173.24 173.75 1lei n LEU 207 N -0.62 1.43 0.00 0.00 4.32 -1.26 -2.26 117.00 118.61 1lei n LEU 207 Ca 0.03 -0.61 0.04 0.00 -0.02 0.00 0.00 56.01 55.45 1lei n LEU 207 Cb 0.01 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.80 1lei n LEU 207 CO 0.02 0.30 -0.06 0.61 -1.22 0.00 0.00 177.39 177.05 1lei n GLY 208 N 1.45 -1.65 0.67 -0.72 0.00 -0.40 -4.49 105.19 100.06 1lei n GLY 208 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1lei n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lei n GLY 209 N -1.03 0.62 3.68 -0.02 0.00 -0.43 -4.87 105.19 103.14 1lei n GLY 209 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1lei n GLY 209 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lei s ASP 210 N -2.90 7.12 0.41 1.61 1.01 -1.26 -4.69 116.67 117.97 1lei s ASP 210 Ca 0.00 1.39 -0.25 0.00 0.71 0.00 0.00 52.55 54.40 1lei s ASP 210 Cb 0.00 -2.52 -0.08 0.00 1.01 0.00 0.00 42.92 41.33 1lei s ASP 210 CO 0.00 -0.48 1.14 -0.70 0.21 0.00 0.00 175.17 175.34 1lei s GLU 211 N 2.29 4.03 -0.02 8.23 2.12 -1.26 -0.80 118.70 133.30 1lei s GLU 211 Ca 0.44 1.75 0.01 0.00 0.36 0.00 0.00 54.97 57.54 1lei s GLU 211 Cb -0.17 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.62 1lei s GLU 211 CO 0.14 -0.31 -0.03 0.42 -0.54 0.00 0.00 175.26 174.93 1lei s ILE 212 N -1.48 0.34 -0.27 -3.70 1.01 0.18 -4.90 121.20 112.37 1lei s ILE 212 Ca 0.58 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 61.02 1lei s ILE 212 Cb -0.28 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1lei s ILE 212 CO 0.35 0.13 0.15 -0.36 0.00 0.00 0.00 174.94 175.22 1lei s PHE 213 N 0.32 3.18 -0.15 3.97 0.40 -1.26 -1.84 117.98 122.60 1lei s PHE 213 Ca -0.03 -0.06 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1lei s PHE 213 Cb -0.07 -2.34 -0.00 0.00 0.51 0.00 0.00 43.02 41.12 1lei s PHE 213 CO -0.00 -0.23 -0.16 -1.17 0.70 0.00 0.00 175.22 174.36 1lei s LEU 214 N 1.71 2.46 -0.19 -0.37 2.96 0.08 -0.29 118.68 125.04 1lei s LEU 214 Ca 0.07 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 1lei s LEU 214 Cb -0.16 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1lei s LEU 214 CO 0.09 0.10 0.12 -0.76 -1.32 0.00 0.00 176.35 174.58 1lei s LEU 215 N 0.73 4.17 0.21 -0.68 1.43 0.83 -0.04 118.68 125.33 1lei s LEU 215 Ca -0.07 0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1lei s LEU 215 Cb -0.16 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1lei s LEU 215 CO 0.01 0.19 0.25 0.00 0.23 0.00 0.00 176.35 177.03 1lei s ASP 217 N -3.10 1.71 0.14 0.00 -0.00 -0.99 -4.52 116.67 109.91 1lei s ASP 217 Ca 0.32 1.06 -0.35 0.00 -0.00 0.00 0.00 52.55 53.58 1lei s ASP 217 Cb 0.04 -1.64 -0.15 0.00 -0.00 0.00 0.00 42.92 41.17 1lei s ASP 217 CO 0.10 -3.69 1.39 0.29 -0.00 0.00 0.00 175.17 173.26 1lei n LYS 218 N -4.53 1.54 -4.08 8.23 4.01 -1.26 -4.62 118.16 117.46 1lei n LYS 218 Ca 0.07 0.56 -0.09 0.00 -0.51 0.00 0.00 58.31 58.33 1lei n LYS 218 Cb 0.58 -2.21 -0.10 0.00 -0.51 0.00 0.00 35.03 32.78 1lei n LYS 218 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1lei s VAL 219 N 0.44 0.34 -0.39 -0.18 -7.23 0.07 -4.82 120.40 108.62 1lei s VAL 219 Ca 0.79 -1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 59.26 1lei s VAL 219 Cb -0.82 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 34.98 1lei s VAL 219 CO 0.45 -0.78 0.40 -1.10 -0.31 0.00 0.00 175.10 173.76 1lei s GLN 220 N -3.03 3.23 0.47 4.82 -0.21 -1.26 -4.46 119.66 119.21 1lei s GLN 220 Ca 0.01 -0.68 0.36 0.00 0.02 0.00 0.00 55.36 55.06 1lei s GLN 220 Cb 0.01 -3.92 1.52 0.00 1.00 0.00 0.00 33.01 31.62 1lei s GLN 220 CO -0.05 -0.74 1.61 1.57 -2.12 0.00 0.00 175.29 175.56 1lei h LYS 221 N 8.63 0.04 -0.13 2.91 2.10 -1.94 0.86 116.57 129.05 1lei h LYS 221 Ca -0.28 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1lei h LYS 221 Cb 1.12 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1lei h LYS 221 CO 0.76 0.03 0.00 -0.85 -2.00 0.00 0.00 179.45 177.38 1lei n GLU 222 N -4.50 1.40 -2.87 0.07 0.00 -1.26 -4.18 120.64 109.29 1lei n GLU 222 Ca 0.39 -0.61 -0.12 0.00 0.00 0.00 0.00 57.16 56.82 1lei n GLU 222 Cb 1.59 -1.26 0.04 0.00 0.00 0.00 0.00 31.44 31.81 1lei n GLU 222 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1lei n ASP 223 N -0.11 -0.31 -3.76 -1.84 2.03 0.30 -5.05 116.55 107.82 1lei n ASP 223 Ca 0.11 -3.04 -0.12 0.00 0.52 0.00 0.00 54.79 52.26 1lei n ASP 223 Cb 0.18 0.33 -0.08 0.00 -0.72 0.00 0.00 41.12 40.83 1lei n ASP 223 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1lei s ILE 224 N -1.46 0.07 0.15 5.18 1.10 -1.23 -4.45 121.20 120.57 1lei s ILE 224 Ca 0.30 -0.58 -0.16 0.00 -0.51 0.00 0.00 60.65 59.69 1lei s ILE 224 Cb 0.37 -0.78 0.03 0.00 0.15 0.00 0.00 42.46 42.23 1lei s ILE 224 CO -0.05 -0.32 0.45 -1.61 -2.11 0.00 0.00 174.94 171.30 1lei s GLU 225 N -1.94 1.20 -0.24 3.50 2.02 -0.27 -4.96 118.70 118.01 1lei s GLU 225 Ca -0.09 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.10 1lei s GLU 225 Cb -0.03 0.49 0.02 0.00 0.10 0.00 0.00 34.13 34.71 1lei s GLU 225 CO 0.00 -0.48 -0.07 0.08 0.02 0.00 0.00 175.26 174.81 1lei s VAL 226 N -3.84 2.91 -0.33 2.63 1.01 -1.26 -0.47 120.40 121.05 1lei s VAL 226 Ca 0.06 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1lei s VAL 226 Cb 0.01 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1lei s VAL 226 CO -0.08 0.27 0.15 -0.47 0.00 0.00 0.00 175.10 174.97 1lei s TYR 227 N 1.35 3.20 -0.11 5.22 5.04 0.23 -1.47 117.35 130.82 1lei s TYR 227 Ca 0.02 -0.93 -0.21 0.00 -2.44 0.00 0.00 57.07 53.51 1lei s TYR 227 Cb -0.16 -2.35 -0.04 0.00 0.35 0.00 0.00 41.96 39.77 1lei s TYR 227 CO -0.05 -0.59 0.62 -0.06 -1.34 0.00 0.00 175.55 174.13 1lei s PHE 228 N 1.53 3.52 0.02 4.97 0.40 -0.60 -1.67 117.98 126.14 1lei s PHE 228 Ca 0.02 1.08 0.02 0.00 -0.60 0.00 0.00 56.93 57.45 1lei s PHE 228 Cb -0.18 -2.72 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 1lei s PHE 228 CO 0.05 0.06 -0.07 -0.08 0.70 0.00 0.00 175.22 175.88 1lei s THR 229 N 0.96 0.55 0.11 0.64 -1.32 0.16 -2.27 115.64 114.46 1lei s THR 229 Ca 0.32 -0.62 -0.25 0.00 -1.21 0.00 0.00 61.69 59.94 1lei s THR 229 Cb -0.16 -0.52 0.08 0.00 -1.51 0.00 0.00 72.50 70.38 1lei s THR 229 CO 0.14 -0.07 0.68 -0.83 -2.21 0.00 0.00 174.62 172.33 1lei s GLY 230 N -0.75 -0.58 0.06 6.08 0.00 -0.11 0.18 107.32 112.21 1lei s GLY 230 Ca -0.02 0.65 -0.33 0.00 0.00 0.00 0.00 44.72 45.01 1lei s GLY 230 CO 0.00 0.23 1.76 -1.05 0.00 0.00 0.00 173.10 174.04 1lei n PRO 231 N -0.31 2.36 -1.06 2.90 -0.02 -1.26 -0.61 135.00 137.00 1lei n PRO 231 Ca -0.15 0.86 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 1lei n PRO 231 Cb 0.64 -2.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1lei n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lei n GLY 232 N 4.01 0.42 2.97 -1.23 0.00 -1.26 -4.97 105.19 105.13 1lei n GLY 232 Ca 0.19 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1lei n GLY 232 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1lei s TRP 233 N -1.64 -0.35 -0.04 1.61 -0.00 0.22 -5.07 118.94 113.68 1lei s TRP 233 Ca 0.00 0.85 0.01 0.00 -0.00 0.00 0.00 56.10 56.96 1lei s TRP 233 Cb 0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 33.47 33.41 1lei s TRP 233 CO 0.00 -0.31 -0.03 -1.21 -0.00 0.00 0.00 176.95 175.39 1lei s GLU 234 N 2.21 0.63 0.34 5.86 2.02 -1.26 -0.94 118.70 127.55 1lei s GLU 234 Ca 0.00 -0.05 -0.10 0.00 0.02 0.00 0.00 54.97 54.84 1lei s GLU 234 Cb -0.12 -0.68 0.02 0.00 0.10 0.00 0.00 34.13 33.45 1lei s GLU 234 CO -0.08 -0.08 0.60 0.00 0.02 0.00 0.00 175.26 175.72 1lei s ALA 235 N 0.86 -0.06 0.09 5.21 0.00 -0.96 -5.04 121.76 121.87 1lei s ALA 235 Ca -0.11 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 50.85 1lei s ALA 235 Cb -0.13 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1lei s ALA 235 CO -0.00 -0.89 -0.15 1.03 0.00 0.00 0.00 175.76 175.75 1lei s ARG 236 N -3.01 0.91 0.36 0.00 0.52 -1.26 -1.55 118.95 114.92 1lei s ARG 236 Ca 0.23 -1.06 -0.26 0.00 -0.52 0.00 0.00 55.73 54.11 1lei s ARG 236 Cb -0.02 -0.90 -0.09 0.00 0.52 0.00 0.00 34.95 34.46 1lei s ARG 236 CO 0.14 0.19 1.10 0.20 0.02 0.00 0.00 175.30 176.95 1lei s GLY 237 N -1.98 2.88 -0.07 -3.53 0.00 -0.54 -4.19 107.32 99.89 1lei s GLY 237 Ca 0.02 0.84 -0.15 0.00 0.00 0.00 0.00 44.72 45.43 1lei s GLY 237 CO 0.03 1.34 0.37 -0.56 0.00 0.00 0.00 173.10 174.28 1lei s SER 238 N -1.23 6.66 0.00 1.64 0.01 -0.21 -4.67 113.70 115.91 1lei s SER 238 Ca 0.53 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.58 1lei s SER 238 Cb -0.27 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1lei s SER 238 CO 0.35 0.22 0.00 2.22 0.41 0.00 0.00 173.24 176.44 1lei n PHE 239 N 2.59 0.00 -4.41 2.43 -1.74 -1.26 -1.08 117.46 113.99 1lei n PHE 239 Ca -0.13 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.52 1lei n PHE 239 Cb 0.52 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.43 1lei n PHE 239 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1lei s SER 240 N 0.00 3.93 0.44 5.98 1.04 -1.26 -5.00 113.70 118.82 1lei s SER 240 Ca 0.00 -0.93 0.22 0.00 0.48 0.00 0.00 55.95 55.73 1lei s SER 240 Cb 0.00 -0.48 1.20 0.00 0.10 0.00 0.00 66.02 66.84 1lei s SER 240 CO 0.00 -0.01 1.80 1.56 0.98 0.00 0.00 173.24 177.57 1lei h GLN 241 N 2.10 0.29 -0.04 4.02 4.20 -1.98 0.83 115.11 124.53 1lei h GLN 241 Ca -0.42 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.29 1lei h GLN 241 Cb 1.26 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 1lei h GLN 241 CO 0.61 0.19 0.05 0.00 -0.67 0.00 0.00 178.83 179.02 1lei h ALA 242 N 1.58 1.58 0.00 3.87 0.00 -1.95 -0.70 119.26 123.63 1lei h ALA 242 Ca 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1lei h ALA 242 Cb 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1lei h ALA 242 CO -0.21 -0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.72 1lei n ASP 243 N -3.82 0.04 -4.51 0.00 8.00 0.29 -4.64 116.55 111.91 1lei n ASP 243 Ca -0.02 0.51 -0.43 0.00 0.71 0.00 0.00 54.79 55.56 1lei n ASP 243 Cb 0.14 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.68 1lei n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1lei s VAL 244 N -3.01 4.45 -0.40 2.53 1.01 -0.27 -2.76 120.40 121.94 1lei s VAL 244 Ca 0.12 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 1lei s VAL 244 Cb 0.16 -4.52 0.02 0.00 0.00 0.00 0.00 36.38 32.05 1lei s VAL 244 CO 0.47 -1.09 1.05 -2.28 0.00 0.00 0.00 175.10 173.25 1lei s HIS 245 N 3.79 3.00 -1.64 5.22 2.46 0.14 -4.31 115.29 123.95 1lei s HIS 245 Ca 0.28 0.87 -0.06 0.00 0.47 0.00 0.00 55.06 56.61 1lei s HIS 245 Cb -0.14 -3.97 0.06 0.00 -0.13 0.00 0.00 32.58 28.41 1lei s HIS 245 CO 0.18 -0.98 0.16 0.54 -2.47 0.00 0.00 174.74 172.17 1lei n ARG 246 N 7.21 -0.88 -0.11 2.88 5.12 -1.26 -1.39 116.66 128.24 1lei n ARG 246 Ca 0.10 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 1lei n ARG 246 Cb 0.48 -3.88 0.00 0.00 -1.16 0.00 0.00 32.46 27.90 1lei n ARG 246 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1lei n GLN 247 N -4.44 0.00 -0.03 5.56 6.02 -1.26 -4.72 117.38 118.51 1lei n GLN 247 Ca -0.21 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.79 1lei n GLN 247 Cb 0.63 -3.90 0.03 0.00 1.02 0.00 0.00 30.24 28.02 1lei n GLN 247 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1lei n VAL 248 N -2.00 0.78 -3.73 5.09 0.24 -0.48 -0.76 118.33 117.47 1lei n VAL 248 Ca 0.00 -0.89 -0.12 0.00 -2.04 0.00 0.00 64.34 61.29 1lei n VAL 248 Cb 0.00 0.62 -0.11 0.00 -1.47 0.00 0.00 33.84 32.89 1lei n VAL 248 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lei s ALA 249 N -0.82 -0.94 -0.11 2.33 0.00 -1.02 -0.87 121.76 120.33 1lei s ALA 249 Ca 0.05 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.24 1lei s ALA 249 Cb 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1lei s ALA 249 CO 0.04 -0.21 -0.14 0.42 0.00 0.00 0.00 175.76 175.86 1lei s ILE 250 N 0.70 1.42 -0.31 0.00 1.01 0.95 0.25 121.20 125.22 1lei s ILE 250 Ca -0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 1lei s ILE 250 Cb -0.05 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 1lei s ILE 250 CO -0.05 0.43 0.13 -0.69 0.00 0.00 0.00 174.94 174.75 1lei s VAL 251 N 1.03 4.37 0.29 2.92 1.01 -1.11 -0.74 120.40 128.16 1lei s VAL 251 Ca -0.06 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1lei s VAL 251 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1lei s VAL 251 CO -0.02 0.07 0.18 0.72 0.00 0.00 0.00 175.10 176.05 1lei s PHE 252 N 1.57 1.53 -0.04 5.22 -0.12 -0.76 -4.79 117.98 120.58 1lei s PHE 252 Ca 0.04 -1.45 0.03 0.00 -0.05 0.00 0.00 56.93 55.50 1lei s PHE 252 Cb -0.17 -0.75 -0.03 0.00 -0.63 0.00 0.00 43.02 41.44 1lei s PHE 252 CO 0.05 -0.64 -0.12 1.03 -0.05 0.00 0.00 175.22 175.49 1lei s ARG 253 N -3.81 2.54 0.35 1.99 1.81 -0.24 0.47 118.95 122.07 1lei s ARG 253 Ca 0.38 -0.68 -0.27 0.00 -1.72 0.00 0.00 55.73 53.44 1lei s ARG 253 Cb 0.05 -2.43 -0.09 0.00 -0.45 0.00 0.00 34.95 32.03 1lei s ARG 253 CO 0.19 0.63 1.14 0.95 -0.68 0.00 0.00 175.30 177.53 1lei s THR 254 N -0.79 3.29 0.62 0.02 -4.23 0.02 -1.04 115.64 113.54 1lei s THR 254 Ca 0.12 1.16 -0.14 0.00 -1.18 0.00 0.00 61.69 61.66 1lei s THR 254 Cb -0.11 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 1lei s THR 254 CO 0.02 0.17 1.05 -2.16 -0.54 0.00 0.00 174.62 173.16 1lei s PRO 255 N -2.00 3.25 0.06 3.99 0.04 -1.26 -1.32 135.00 137.76 1lei s PRO 255 Ca 0.52 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 1lei s PRO 255 Cb -0.31 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1lei s PRO 255 CO 0.39 -0.85 1.16 -2.14 0.04 0.00 0.00 177.00 175.60 1lei s PRO 256 N -4.45 4.46 0.83 0.56 0.02 -1.26 -4.18 135.00 130.97 1lei s PRO 256 Ca 0.61 1.72 -0.11 0.00 0.02 0.00 0.00 61.00 63.24 1lei s PRO 256 Cb -0.15 -3.36 0.09 0.00 0.02 0.00 0.00 34.50 31.11 1lei s PRO 256 CO 0.43 -0.21 1.09 -0.47 -0.33 0.00 0.00 177.00 177.52 1lei s TYR 257 N 0.97 2.43 0.08 6.54 6.04 -0.96 -4.94 117.35 127.50 1lei s TYR 257 Ca 0.57 1.46 -0.30 0.00 0.04 0.00 0.00 57.07 58.84 1lei s TYR 257 Cb -0.28 -3.10 -0.17 0.00 -1.04 0.00 0.00 41.96 37.37 1lei s TYR 257 CO 0.29 -2.08 1.66 0.00 -1.54 0.00 0.00 175.55 173.88 1lei h ALA 258 N -1.33 -0.63 -1.78 3.97 0.00 -1.95 -3.39 119.26 114.15 1lei h ALA 258 Ca -0.46 -0.13 -0.56 0.00 0.00 0.00 0.00 54.91 53.76 1lei h ALA 258 Cb 1.25 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 1lei h ALA 258 CO 0.52 -0.86 0.89 0.34 0.00 0.00 0.00 179.25 180.15 1lei s ASP 259 N -4.64 6.68 0.00 0.00 -1.08 -1.26 -4.90 116.67 111.47 1lei s ASP 259 Ca -0.16 0.56 0.25 0.00 -0.52 0.00 0.00 52.55 52.68 1lei s ASP 259 Cb 0.05 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.45 1lei s ASP 259 CO 0.63 -1.17 1.91 -2.65 0.52 0.00 0.00 175.17 174.41 1lei n PRO 260 N 7.63 0.91 -2.94 4.34 -0.02 -1.26 -3.90 135.00 139.76 1lei n PRO 260 Ca 0.12 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.46 1lei n PRO 260 Cb 0.49 -1.43 0.01 0.00 -0.02 0.00 0.00 33.50 32.55 1lei n PRO 260 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1lei n SER 261 N -0.93 0.77 -4.66 2.55 3.41 -1.26 -4.81 113.62 108.69 1lei n SER 261 Ca 0.19 -2.91 -0.34 0.00 -0.26 0.00 0.00 58.87 55.54 1lei n SER 261 Cb 0.09 -0.37 0.11 0.00 -0.26 0.00 0.00 64.21 63.77 1lei n SER 261 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1lei n LEU 262 N 0.12 4.18 -1.35 1.04 7.94 -1.25 -4.93 117.00 122.74 1lei n LEU 262 Ca 0.17 0.63 0.04 0.00 -1.11 0.00 0.00 56.01 55.73 1lei n LEU 262 Cb 0.73 -1.47 0.02 0.00 0.53 0.00 0.00 43.42 43.23 1lei n LEU 262 CO 0.21 -1.79 0.09 0.00 -1.11 0.00 0.00 177.39 174.80 1lei n GLN 263 N -2.65 0.05 0.00 1.96 6.02 -1.26 -4.42 117.38 117.08 1lei n GLN 263 Ca 0.13 -1.93 0.00 0.00 -0.01 0.00 0.00 57.00 55.20 1lei n GLN 263 Cb 0.50 -0.11 0.00 0.00 1.02 0.00 0.00 30.24 31.65 1lei n GLN 263 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lei n ALA 264 N 0.39 0.00 -1.71 -1.58 0.00 -1.26 -5.04 120.51 111.30 1lei n ALA 264 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1lei n ALA 264 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.53 1lei n ALA 264 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1lei n PRO 265 N -0.17 2.23 -4.09 0.00 -0.02 -1.26 -4.76 135.00 126.94 1lei n PRO 265 Ca 0.00 0.78 -0.27 0.00 -2.02 0.00 0.00 63.50 61.99 1lei n PRO 265 Cb 0.00 -2.40 -0.17 0.00 -0.02 0.00 0.00 33.50 30.91 1lei n PRO 265 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lei s VAL 266 N -0.99 1.22 0.29 -1.45 0.11 -0.78 -4.98 120.40 113.83 1lei s VAL 266 Ca 0.56 -0.44 -0.23 0.00 -2.93 0.00 0.00 61.98 58.95 1lei s VAL 266 Cb -0.56 -1.18 -0.09 0.00 -1.53 0.00 0.00 36.38 33.02 1lei s VAL 266 CO 0.61 0.40 0.86 -0.13 -3.33 0.00 0.00 175.10 173.50 1lei s ARG 267 N 1.43 4.41 0.24 1.54 0.52 -1.26 -1.47 118.95 124.37 1lei s ARG 267 Ca 0.01 1.12 -0.05 0.00 -0.52 0.00 0.00 55.73 56.29 1lei s ARG 267 Cb -0.13 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 1lei s ARG 267 CO -0.06 0.29 0.30 0.14 0.02 0.00 0.00 175.30 175.99 1lei s VAL 268 N -1.64 0.00 0.01 3.52 -7.23 0.71 -4.96 120.40 110.80 1lei s VAL 268 Ca 0.49 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1lei s VAL 268 Cb -0.17 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1lei s VAL 268 CO 0.22 0.00 0.14 -0.44 -0.31 0.00 0.00 175.10 174.70 1lei s SER 269 N -3.13 6.03 -0.08 4.85 0.01 0.13 -0.94 113.70 120.57 1lei s SER 269 Ca 0.32 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.81 1lei s SER 269 Cb 0.03 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.47 1lei s SER 269 CO 0.13 0.25 -0.07 -0.32 0.41 0.00 0.00 173.24 173.64 1lei s MET 270 N -1.96 1.27 0.10 12.44 0.00 0.16 0.37 119.30 131.67 1lei s MET 270 Ca 0.27 -0.19 -0.14 0.00 0.00 0.00 0.00 55.69 55.63 1lei s MET 270 Cb -0.12 -1.31 0.02 0.00 0.00 0.00 0.00 34.83 33.42 1lei s MET 270 CO 0.18 -0.18 0.33 1.14 0.00 0.00 0.00 175.02 176.49 1lei s GLN 271 N 1.42 0.96 0.27 4.11 -2.07 -0.67 -0.27 119.66 123.40 1lei s GLN 271 Ca -0.02 -0.72 -0.29 0.00 -1.82 0.00 0.00 55.36 52.51 1lei s GLN 271 Cb -0.13 0.41 -0.09 0.00 -1.09 0.00 0.00 33.01 32.11 1lei s GLN 271 CO -0.04 -0.35 0.99 -0.51 -1.32 0.00 0.00 175.29 174.07 1lei s LEU 272 N -2.65 4.57 -0.03 2.60 1.43 -1.26 0.74 118.68 124.08 1lei s LEU 272 Ca 0.02 2.04 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 1lei s LEU 272 Cb 0.02 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 1lei s LEU 272 CO -0.10 0.03 -0.12 -0.60 0.23 0.00 0.00 176.35 175.78 1lei s ARG 273 N -1.39 1.23 -0.31 1.70 3.52 0.38 -1.25 118.95 122.83 1lei s ARG 273 Ca 0.44 -0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 55.56 1lei s ARG 273 Cb -0.27 -1.12 0.04 0.00 -1.56 0.00 0.00 34.95 32.04 1lei s ARG 273 CO 0.34 0.19 0.05 0.50 -0.81 0.00 0.00 175.30 175.56 1lei s ARG 274 N 0.04 2.59 0.29 5.12 3.52 -0.06 -1.11 118.95 129.34 1lei s ARG 274 Ca -0.02 -1.18 -0.02 0.00 -0.13 0.00 0.00 55.73 54.38 1lei s ARG 274 Cb -0.09 -3.31 0.43 0.00 -1.56 0.00 0.00 34.95 30.42 1lei s ARG 274 CO 0.01 -0.61 1.92 -1.35 -0.81 0.00 0.00 175.30 174.45 1lei h PRO 275 N 8.12 1.00 -0.39 5.12 0.11 -1.86 0.52 132.00 144.62 1lei h PRO 275 Ca -0.23 -0.11 0.08 0.00 0.11 0.00 0.00 66.00 65.85 1lei h PRO 275 Cb 1.08 -0.20 -0.08 0.00 0.11 0.00 0.00 31.00 31.90 1lei h PRO 275 CO 0.57 0.73 -0.18 0.66 -0.21 0.00 0.00 178.00 179.57 1lei h SER 276 N 1.01 -0.62 -0.04 -2.05 4.64 -1.94 -2.84 113.55 111.70 1lei h SER 276 Ca 0.26 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1lei h SER 276 Cb 0.02 0.34 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1lei h SER 276 CO -0.04 -0.22 -0.16 -0.90 -0.87 0.00 0.00 176.83 174.64 1lei n ASP 277 N -5.37 2.27 -3.40 4.97 5.68 -1.21 -4.99 116.55 114.51 1lei n ASP 277 Ca 0.02 -3.38 -0.20 0.00 -0.50 0.00 0.00 54.79 50.73 1lei n ASP 277 Cb 0.28 -0.48 -0.04 0.00 -1.14 0.00 0.00 41.12 39.74 1lei n ASP 277 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1lei n ARG 278 N -1.26 -1.86 -1.73 0.11 1.85 0.18 -4.91 116.66 109.04 1lei n ARG 278 Ca 0.18 0.07 -0.32 0.00 -1.00 0.00 0.00 57.85 56.78 1lei n ARG 278 Cb 0.70 -4.43 0.04 0.00 -1.05 0.00 0.00 32.46 27.72 1lei n ARG 278 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1lei s GLU 279 N -5.87 2.93 0.03 2.89 0.41 -0.71 -4.77 118.70 113.62 1lei s GLU 279 Ca 0.39 1.17 0.02 0.00 -0.41 0.00 0.00 54.97 56.15 1lei s GLU 279 Cb -0.23 -1.98 -0.02 0.00 -1.78 0.00 0.00 34.13 30.12 1lei s GLU 279 CO 0.48 -1.12 -0.08 -0.51 -0.49 0.00 0.00 175.26 173.54 1lei s LEU 280 N -5.08 2.21 0.44 1.80 1.43 -1.26 -0.88 118.68 117.33 1lei s LEU 280 Ca 0.62 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1lei s LEU 280 Cb -0.17 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1lei s LEU 280 CO 0.46 -0.14 0.68 -0.94 0.23 0.00 0.00 176.35 176.63 1lei s SER 281 N -1.30 6.05 0.50 2.29 1.04 -0.38 -4.74 113.70 117.15 1lei s SER 281 Ca -0.07 0.52 -0.23 0.00 0.48 0.00 0.00 55.95 56.65 1lei s SER 281 Cb -0.08 -1.86 -0.07 0.00 0.10 0.00 0.00 66.02 64.10 1lei s SER 281 CO 0.00 -0.58 1.21 -0.62 0.98 0.00 0.00 173.24 174.23 1lei n GLU 282 N -2.07 1.58 -2.21 4.02 1.02 -1.26 -4.59 120.64 117.13 1lei n GLU 282 Ca -0.00 0.58 -0.41 0.00 -0.02 0.00 0.00 57.16 57.30 1lei n GLU 282 Cb 0.57 -2.37 -0.03 0.00 -0.02 0.00 0.00 31.44 29.59 1lei n GLU 282 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1lei s PRO 283 N -2.52 4.41 0.06 3.49 0.04 -1.26 -4.75 135.00 134.47 1lei s PRO 283 Ca 0.68 2.09 0.03 0.00 0.04 0.00 0.00 61.00 63.84 1lei s PRO 283 Cb -0.46 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 1lei s PRO 283 CO 0.53 -0.15 0.04 1.41 0.04 0.00 0.00 177.00 178.86 1lei s MET 284 N -1.07 2.78 -0.02 4.56 1.75 0.63 -4.91 119.30 123.03 1lei s MET 284 Ca 0.51 -0.70 -0.22 0.00 -1.25 0.00 0.00 55.69 54.03 1lei s MET 284 Cb -0.37 -2.67 -0.05 0.00 2.84 0.00 0.00 34.83 34.58 1lei s MET 284 CO 0.45 0.58 0.64 -2.00 -0.65 0.00 0.00 175.02 174.03 1lei s GLU 285 N -2.15 4.37 0.05 4.11 2.12 -1.26 -0.66 118.70 125.28 1lei s GLU 285 Ca 0.26 0.80 0.06 0.00 0.36 0.00 0.00 54.97 56.44 1lei s GLU 285 Cb -0.12 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1lei s GLU 285 CO 0.18 0.27 -0.16 0.12 -0.54 0.00 0.00 175.26 175.13 1lei s PHE 286 N 0.12 1.38 -0.12 5.30 2.19 -0.11 -4.89 117.98 121.83 1lei s PHE 286 Ca 0.33 -0.38 0.02 0.00 0.33 0.00 0.00 56.93 57.23 1lei s PHE 286 Cb -0.18 -0.81 0.01 0.00 -1.31 0.00 0.00 43.02 40.74 1lei s PHE 286 CO 0.18 0.06 -0.18 -0.65 1.83 0.00 0.00 175.22 176.46 1lei s GLN 287 N -1.31 2.60 -0.05 10.12 -0.21 -0.07 -0.21 119.66 130.54 1lei s GLN 287 Ca 0.02 -0.70 -0.17 0.00 0.02 0.00 0.00 55.36 54.53 1lei s GLN 287 Cb -0.09 -2.15 -0.05 0.00 1.00 0.00 0.00 33.01 31.72 1lei s GLN 287 CO 0.02 -0.04 0.48 0.71 -2.12 0.00 0.00 175.29 174.33 1lei s TYR 288 N 0.91 3.63 0.40 0.91 1.51 -0.54 -1.69 117.35 122.48 1lei s TYR 288 Ca -0.07 1.00 0.08 0.00 -1.01 0.00 0.00 57.07 57.07 1lei s TYR 288 Cb -0.15 -2.47 -0.06 0.00 -0.11 0.00 0.00 41.96 39.17 1lei s TYR 288 CO -0.02 0.38 0.10 -0.51 -1.11 0.00 0.00 175.55 174.40 1lei s LEU 289 N -0.17 3.04 0.37 -1.29 1.43 0.84 -1.87 118.68 121.02 1lei s LEU 289 Ca 0.26 -1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 51.97 1lei s LEU 289 Cb -0.16 -1.30 -0.09 0.00 0.03 0.00 0.00 46.19 44.67 1lei s LEU 289 CO 0.13 -0.45 1.21 -2.84 0.23 0.00 0.00 176.35 174.62 1lei s PRO 290 N -3.82 4.17 0.00 1.29 0.02 -1.26 -1.32 135.00 134.08 1lei s PRO 290 Ca 0.38 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1lei s PRO 290 Cb 0.04 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.73 1lei s PRO 290 CO 0.21 -0.25 0.00 -0.40 -0.33 0.00 0.00 177.00 176.22