#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lei s PRO 40 N 0.00 3.83 0.16 1.61 0.04 -1.26 -4.73 135.00 134.64 1lei s PRO 40 Ca 0.00 0.23 -0.00 0.00 0.04 0.00 0.00 61.00 61.27 1lei s PRO 40 Cb 0.00 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1lei s PRO 40 CO 0.00 -0.64 0.06 1.52 0.04 0.00 0.00 177.00 177.98 1lei s TYR 41 N 2.66 1.04 0.38 0.56 1.13 -1.26 -4.81 117.35 117.06 1lei s TYR 41 Ca 0.25 -1.20 0.03 0.00 -1.41 0.00 0.00 57.07 54.74 1lei s TYR 41 Cb -0.15 -0.58 -0.01 0.00 -1.10 0.00 0.00 41.96 40.12 1lei s TYR 41 CO 0.13 -0.44 0.56 -1.17 -2.51 0.00 0.00 175.55 172.12 1lei s LEU 42 N -3.11 3.87 -0.08 -3.49 2.96 -1.26 -2.35 118.68 115.21 1lei s LEU 42 Ca 0.27 0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 54.04 1lei s LEU 42 Cb 0.07 -3.05 0.08 0.00 0.50 0.00 0.00 46.19 43.79 1lei s LEU 42 CO 0.04 -0.49 0.72 -1.58 -1.32 0.00 0.00 176.35 173.72 1lei s GLN 43 N -4.35 0.99 -0.15 1.98 0.74 -0.45 -4.92 119.66 113.50 1lei s GLN 43 Ca 0.45 0.32 -0.08 0.00 0.05 0.00 0.00 55.36 56.09 1lei s GLN 43 Cb -0.10 0.47 -0.04 0.00 1.10 0.00 0.00 33.01 34.44 1lei s GLN 43 CO 0.35 -0.29 0.14 -1.50 -0.55 0.00 0.00 175.29 173.43 1lei s ILE 44 N -1.03 5.46 -0.17 -2.34 2.07 -1.26 0.57 121.20 124.50 1lei s ILE 44 Ca -0.09 0.20 0.19 0.00 -1.41 0.00 0.00 60.65 59.54 1lei s ILE 44 Cb -0.01 -3.42 -0.29 0.00 0.13 0.00 0.00 42.46 38.88 1lei s ILE 44 CO 0.08 0.55 0.49 0.18 -1.91 0.00 0.00 174.94 174.33 1lei n LEU 45 N 2.56 0.15 -3.06 8.50 4.77 0.20 -4.85 117.00 125.26 1lei n LEU 45 Ca -0.18 -0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.63 1lei n LEU 45 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1lei n LEU 45 CO 0.33 0.04 0.00 -0.70 -1.33 0.00 0.00 177.39 175.73 1lei s GLU 46 N -3.25 0.92 0.51 3.23 2.12 -1.14 -4.91 118.70 116.17 1lei s GLU 46 Ca -0.05 -0.99 -0.18 0.00 0.36 0.00 0.00 54.97 54.11 1lei s GLU 46 Cb 0.13 -0.32 -0.14 0.00 0.26 0.00 0.00 34.13 34.06 1lei s GLU 46 CO 0.80 -1.28 0.02 1.04 -0.54 0.00 0.00 175.26 175.30 1lei n GLN 47 N 3.51 0.11 -2.18 4.30 1.13 -1.26 -3.74 117.38 119.24 1lei n GLN 47 Ca 0.17 0.04 -0.41 0.00 -1.94 0.00 0.00 57.00 54.86 1lei n GLN 47 Cb 0.53 -1.14 -0.03 0.00 0.11 0.00 0.00 30.24 29.71 1lei n GLN 47 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1lei s PRO 48 N -1.22 4.36 -0.02 -1.09 0.02 -1.26 -2.23 135.00 133.56 1lei s PRO 48 Ca 0.59 2.09 -0.31 0.00 0.02 0.00 0.00 61.00 63.40 1lei s PRO 48 Cb -0.49 -3.19 -0.09 0.00 0.02 0.00 0.00 34.50 30.75 1lei s PRO 48 CO 0.63 -0.30 1.99 1.17 -0.33 0.00 0.00 177.00 180.17 1lei n LYS 49 N 2.73 2.60 0.25 5.54 4.81 -1.03 -4.67 118.16 128.39 1lei n LYS 49 Ca 0.07 0.93 0.10 0.00 -0.87 0.00 0.00 58.31 58.54 1lei n LYS 49 Cb 0.42 -2.95 0.67 0.00 0.02 0.00 0.00 35.03 33.19 1lei n LYS 49 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1lei h GLN 50 N 10.85 0.00 -4.13 1.64 4.20 -1.90 -3.45 115.11 122.33 1lei h GLN 50 Ca -0.48 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.07 1lei h GLN 50 Cb 1.25 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.85 1lei h GLN 50 CO 0.95 0.11 -0.69 1.03 -0.67 0.00 0.00 178.83 179.56 1lei s ARG 51 N -4.51 0.46 0.00 1.46 0.52 -1.26 0.12 118.95 115.74 1lei s ARG 51 Ca -0.04 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.28 1lei s ARG 51 Cb 0.15 0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.75 1lei s ARG 51 CO 0.63 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.28 1lei n GLY 52 N 0.92 1.14 2.99 -3.53 0.00 -1.26 -5.05 105.19 100.39 1lei n GLY 52 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1lei n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lei s PHE 53 N -2.00 0.94 -0.17 1.61 5.36 -1.26 -4.91 117.98 117.55 1lei s PHE 53 Ca 0.00 -0.25 -0.07 0.00 -0.96 0.00 0.00 56.93 55.66 1lei s PHE 53 Cb 0.00 -0.69 -0.04 0.00 -0.34 0.00 0.00 43.02 41.95 1lei s PHE 53 CO 0.00 -0.12 0.06 0.50 -1.46 0.00 0.00 175.22 174.19 1lei s ARG 54 N 0.31 3.87 -0.34 10.12 3.52 -1.26 0.24 118.95 135.40 1lei s ARG 54 Ca -0.05 -0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 54.92 1lei s ARG 54 Cb -0.10 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1lei s ARG 54 CO 0.01 0.33 1.42 -0.06 -0.81 0.00 0.00 175.30 176.18 1lei s PHE 55 N 0.21 2.43 0.06 5.12 0.08 -1.26 -4.84 117.98 119.79 1lei s PHE 55 Ca 0.04 0.72 -0.30 0.00 0.12 0.00 0.00 56.93 57.51 1lei s PHE 55 Cb -0.12 -4.11 -0.05 0.00 -0.57 0.00 0.00 43.02 38.17 1lei s PHE 55 CO 0.01 -2.06 1.00 1.03 -0.10 0.00 0.00 175.22 175.10 1lei s ARG 56 N 4.66 4.61 0.84 0.44 3.00 -0.99 -4.39 118.95 127.12 1lei s ARG 56 Ca 0.62 1.49 -0.12 0.00 0.00 0.00 0.00 55.73 57.72 1lei s ARG 56 Cb -0.17 -3.40 0.10 0.00 0.00 0.00 0.00 34.95 31.48 1lei s ARG 56 CO 0.29 0.05 1.16 0.71 0.00 0.00 0.00 175.30 177.51 1lei s TYR 57 N 0.50 2.82 0.06 -0.53 2.02 -1.26 0.12 117.35 121.09 1lei s TYR 57 Ca 0.50 0.79 -0.31 0.00 -0.37 0.00 0.00 57.07 57.68 1lei s TYR 57 Cb -0.23 -3.45 -0.18 0.00 -0.40 0.00 0.00 41.96 37.69 1lei s TYR 57 CO 0.29 -1.95 1.51 0.28 -1.57 0.00 0.00 175.55 174.12 1lei h VAL 58 N -1.19 0.35 -1.00 0.71 2.07 -1.95 -2.59 116.25 112.65 1lei h VAL 58 Ca -0.47 -0.12 0.27 0.00 0.82 0.00 0.00 66.70 67.20 1lei h VAL 58 Cb 1.33 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1lei h VAL 58 CO 0.65 0.02 0.70 0.00 0.02 0.00 0.00 177.57 178.95 1lei h GLU 60 N 0.14 0.29 0.00 0.00 4.39 -1.83 -3.47 114.58 114.09 1lei h GLU 60 Ca 0.50 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.18 1lei h GLU 60 Cb 1.74 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1lei h GLU 60 CO -0.09 0.19 0.00 0.41 -1.16 0.00 0.00 179.01 178.36 1lei n GLY 61 N -1.36 1.51 3.84 -3.84 0.00 -0.19 -5.02 105.19 100.14 1lei n GLY 61 Ca 0.20 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1lei n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1lei s PRO 62 N -1.73 1.22 0.00 1.61 0.02 -1.26 -4.75 135.00 130.11 1lei s PRO 62 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 61.00 61.10 1lei s PRO 62 Cb 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1lei s PRO 62 CO 0.00 -2.10 0.00 -1.13 -0.33 0.00 0.00 177.00 173.44 1lei n SER 63 N -3.66 -6.64 0.00 2.53 3.41 -1.26 -4.96 113.62 103.05 1lei n SER 63 Ca 0.09 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1lei n SER 63 Cb 0.60 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1lei n SER 63 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1lei n HIS 64 N 1.51 0.00 0.00 7.33 8.25 -1.26 -5.14 115.22 125.91 1lei n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1lei n HIS 64 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 1lei n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lei n GLY 65 N 1.46 -0.64 0.00 -1.41 0.00 -1.26 -5.10 105.19 98.25 1lei n GLY 65 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1lei n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lei n GLY 66 N 0.00 2.01 0.71 -0.02 0.00 -1.26 -4.59 105.19 102.03 1lei n GLY 66 Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 1lei n GLY 66 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1lei n LEU 67 N 0.00 0.20 -4.87 0.99 7.94 -1.25 -4.74 117.00 115.26 1lei n LEU 67 Ca 0.00 0.19 -0.31 0.00 -1.11 0.00 0.00 56.01 54.78 1lei n LEU 67 Cb 0.00 -0.18 -0.00 0.00 0.53 0.00 0.00 43.42 43.77 1lei n LEU 67 CO 0.00 -0.16 0.66 -2.84 -1.11 0.00 0.00 177.39 173.94 1lei s PRO 68 N 0.93 3.69 0.17 1.96 0.02 -1.26 -4.71 135.00 135.79 1lei s PRO 68 Ca 0.23 0.72 -0.30 0.00 0.02 0.00 0.00 61.00 61.67 1lei s PRO 68 Cb -0.30 -2.14 -0.07 0.00 0.02 0.00 0.00 34.50 32.00 1lei s PRO 68 CO 0.15 -0.43 1.02 0.20 -0.33 0.00 0.00 177.00 177.61 1lei s GLY 69 N -3.86 2.96 0.27 0.52 0.00 -1.24 -2.46 107.32 103.52 1lei s GLY 69 Ca 0.55 0.70 -0.07 0.00 0.00 0.00 0.00 44.72 45.90 1lei s GLY 69 CO 0.46 1.49 1.58 0.00 0.00 0.00 0.00 173.10 176.64 1lei h ALA 70 N 5.05 0.75 -1.06 3.20 0.00 -1.69 -2.29 119.26 123.21 1lei h ALA 70 Ca -0.44 0.35 -0.77 0.00 0.00 0.00 0.00 54.91 54.05 1lei h ALA 70 Cb 1.21 0.65 -0.18 0.00 0.00 0.00 0.00 17.79 19.47 1lei h ALA 70 CO 0.71 -0.43 1.79 -1.13 0.00 0.00 0.00 179.25 180.19 1lei n SER 71 N -5.54 6.48 -2.21 0.00 3.41 -1.26 -4.63 113.62 109.87 1lei n SER 71 Ca 0.16 -3.25 -0.30 0.00 -0.26 0.00 0.00 58.87 55.23 1lei n SER 71 Cb 0.53 -1.37 0.05 0.00 -0.26 0.00 0.00 64.21 63.16 1lei n SER 71 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1lei n SER 72 N 2.28 6.33 -0.31 4.04 2.88 -0.86 -4.64 113.62 123.34 1lei n SER 72 Ca 0.44 -3.77 0.26 0.00 -1.33 0.00 0.00 58.87 54.48 1lei n SER 72 Cb 0.31 -0.67 0.44 0.00 -0.75 0.00 0.00 64.21 63.54 1lei n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1lei n GLU 73 N -0.80 -0.02 0.00 -1.46 -0.58 -1.26 -4.56 120.64 111.96 1lei n GLU 73 Ca 0.53 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 58.09 1lei n GLU 73 Cb 0.79 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1lei n GLU 73 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1lei n LYS 74 N -3.97 1.03 -0.28 3.49 4.76 -1.26 -4.96 118.16 116.97 1lei n LYS 74 Ca 0.26 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 1lei n LYS 74 Cb 1.03 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.22 1lei n LYS 74 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1lei n ASN 75 N 0.00 4.18 -0.85 4.39 6.94 -1.26 -4.01 115.26 124.65 1lei n ASN 75 Ca 0.00 -2.17 0.03 0.00 -0.02 0.00 0.00 54.58 52.42 1lei n ASN 75 Cb 0.00 -0.83 0.13 0.00 -2.36 0.00 0.00 39.78 36.72 1lei n ASN 75 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1lei n LYS 76 N 1.10 2.16 -2.17 -3.83 2.85 -1.26 -4.94 118.16 112.08 1lei n LYS 76 Ca 0.00 -1.05 -0.01 0.00 -1.05 0.00 0.00 58.31 56.21 1lei n LYS 76 Cb 0.48 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 1lei n LYS 76 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1lei n LYS 77 N 0.22 -0.04 0.00 -1.58 5.02 -1.26 -4.87 118.16 115.66 1lei n LYS 77 Ca 0.09 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1lei n LYS 77 Cb 0.49 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 1lei n LYS 77 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1lei n SER 78 N 0.56 -1.28 0.00 4.39 2.88 -1.26 -4.94 113.62 113.96 1lei n SER 78 Ca -0.01 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1lei n SER 78 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1lei n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lei n TYR 79 N -2.55 0.00 -2.03 0.66 0.18 -1.26 -3.73 117.16 108.43 1lei n TYR 79 Ca 0.00 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.43 1lei n TYR 79 Cb 0.00 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 38.99 1lei n TYR 79 CO 0.00 0.00 0.00 -2.14 -2.08 0.00 0.00 176.86 172.64 1lei s PRO 80 N -1.85 3.03 -0.21 -3.48 0.02 -1.26 -4.64 135.00 126.60 1lei s PRO 80 Ca 0.00 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 62.62 1lei s PRO 80 Cb 0.00 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.65 1lei s PRO 80 CO 0.00 -1.13 0.49 1.14 -0.33 0.00 0.00 177.00 177.17 1lei s GLN 81 N -3.44 0.44 0.22 5.54 -2.07 -1.25 -1.13 119.66 117.98 1lei s GLN 81 Ca 0.74 1.04 0.06 0.00 -1.82 0.00 0.00 55.36 55.38 1lei s GLN 81 Cb -0.27 0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 31.87 1lei s GLN 81 CO 0.33 -0.20 0.21 0.08 -1.32 0.00 0.00 175.29 174.39 1lei s VAL 82 N 2.09 4.62 -0.09 3.63 1.01 0.57 0.61 120.40 132.84 1lei s VAL 82 Ca -0.06 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 60.63 1lei s VAL 82 Cb -0.10 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.86 1lei s VAL 82 CO -0.15 -0.27 0.21 -0.75 0.00 0.00 0.00 175.10 174.14 1lei s LYS 83 N -3.65 0.20 -0.23 2.72 2.20 0.19 -0.44 119.74 120.74 1lei s LYS 83 Ca 0.33 0.39 -0.17 0.00 -0.36 0.00 0.00 55.97 56.15 1lei s LYS 83 Cb -0.09 -0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.18 1lei s LYS 83 CO 0.25 -0.10 0.47 0.42 -0.36 0.00 0.00 175.35 176.03 1lei s ILE 84 N 0.70 5.13 0.01 5.43 1.01 0.06 -1.34 121.20 132.19 1lei s ILE 84 Ca -0.05 0.82 -0.25 0.00 0.00 0.00 0.00 60.65 61.17 1lei s ILE 84 Cb -0.06 -3.79 -0.15 0.00 0.01 0.00 0.00 42.46 38.47 1lei s ILE 84 CO -0.04 0.17 1.11 0.00 0.00 0.00 0.00 174.94 176.18 1lei n ASN 86 N -5.31 3.33 -2.36 0.00 4.13 -1.26 -4.87 115.26 108.92 1lei n ASN 86 Ca -0.11 -2.77 -0.09 0.00 1.68 0.00 0.00 54.58 53.29 1lei n ASN 86 Cb 0.33 -1.44 -0.10 0.00 -1.54 0.00 0.00 39.78 37.04 1lei n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1lei n TYR 87 N 7.18 0.00 -2.53 3.10 -0.00 -1.26 -4.75 117.16 118.90 1lei n TYR 87 Ca 0.51 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.99 1lei n TYR 87 Cb 0.40 -0.27 0.01 0.00 -0.00 0.00 0.00 39.34 39.48 1lei n TYR 87 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1lei n VAL 88 N 2.84 5.52 0.00 2.97 0.24 -1.26 -4.99 118.33 123.64 1lei n VAL 88 Ca 0.29 -5.39 0.00 0.00 -2.04 0.00 0.00 64.34 57.20 1lei n VAL 88 Cb 0.12 -1.90 0.00 0.00 -1.47 0.00 0.00 33.84 30.59 1lei n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lei n GLY 89 N 1.03 1.08 3.73 7.63 0.00 -1.26 -4.21 105.19 113.19 1lei n GLY 89 Ca 0.45 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 46.43 1lei n GLY 89 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1lei s PRO 90 N 0.00 4.35 0.07 1.61 0.02 -1.26 -3.66 135.00 136.13 1lei s PRO 90 Ca 0.00 2.08 -0.06 0.00 0.02 0.00 0.00 61.00 63.04 1lei s PRO 90 Cb 0.00 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 1lei s PRO 90 CO 0.00 -0.36 0.10 0.00 -0.33 0.00 0.00 177.00 176.41 1lei s ALA 91 N 0.62 0.06 -0.08 -1.55 0.00 -1.26 -4.33 121.76 115.23 1lei s ALA 91 Ca 0.61 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1lei s ALA 91 Cb -0.37 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1lei s ALA 91 CO 0.34 -0.44 -0.01 0.21 0.00 0.00 0.00 175.76 175.86 1lei s LYS 92 N -3.77 0.74 -0.10 0.00 2.20 -0.79 -0.31 119.74 117.72 1lei s LYS 92 Ca 0.05 0.05 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 1lei s LYS 92 Cb 0.05 -1.08 0.01 0.00 -1.51 0.00 0.00 37.83 35.30 1lei s LYS 92 CO -0.10 -0.30 -0.20 0.08 -0.36 0.00 0.00 175.35 174.47 1lei s VAL 93 N 1.93 1.78 0.46 4.02 1.01 -1.16 0.39 120.40 128.83 1lei s VAL 93 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1lei s VAL 93 Cb -0.12 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1lei s VAL 93 CO -0.06 0.50 0.12 2.30 0.00 0.00 0.00 175.10 177.96 1lei n ILE 94 N 3.74 0.00 -3.60 2.22 -5.35 0.39 -1.58 119.36 115.18 1lei n ILE 94 Ca -0.20 -2.07 -0.03 0.00 -0.27 0.00 0.00 62.75 60.18 1lei n ILE 94 Cb 0.52 0.26 -0.06 0.00 -1.74 0.00 0.00 39.64 38.62 1lei n ILE 94 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1lei s VAL 95 N -2.56 -0.25 0.04 7.28 0.11 -0.55 -2.47 120.40 122.00 1lei s VAL 95 Ca 0.09 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.19 1lei s VAL 95 Cb -0.01 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1lei s VAL 95 CO 0.06 0.00 -0.14 0.00 -3.33 0.00 0.00 175.10 171.68 1lei s GLN 96 N 1.88 0.96 0.49 1.54 -2.07 -1.15 -1.68 119.66 119.62 1lei s GLN 96 Ca -0.08 -0.77 -0.21 0.00 -1.82 0.00 0.00 55.36 52.49 1lei s GLN 96 Cb -0.06 -0.97 -0.07 0.00 -1.09 0.00 0.00 33.01 30.82 1lei s GLN 96 CO -0.17 0.24 1.09 -0.51 -1.32 0.00 0.00 175.29 174.61 1lei s LEU 97 N -1.14 3.87 0.13 2.60 1.43 -1.26 -1.77 118.68 122.55 1lei s LEU 97 Ca 0.02 2.08 -0.04 0.00 -1.03 0.00 0.00 54.13 55.15 1lei s LEU 97 Cb -0.08 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 1lei s LEU 97 CO 0.01 -0.92 0.13 0.68 0.23 0.00 0.00 176.35 176.49 1lei s VAL 98 N -1.81 0.10 1.06 -1.59 -7.23 0.93 -3.14 120.40 108.72 1lei s VAL 98 Ca 0.68 -1.68 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 1lei s VAL 98 Cb -0.21 -1.89 0.22 0.00 0.56 0.00 0.00 36.38 35.06 1lei s VAL 98 CO 0.25 -0.47 1.07 0.42 -0.31 0.00 0.00 175.10 176.06 1lei s THR 99 N -4.00 2.09 -0.85 5.32 -4.23 -0.71 0.36 115.64 113.62 1lei s THR 99 Ca 0.19 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.80 1lei s THR 99 Cb 0.06 -2.34 0.06 0.00 1.34 0.00 0.00 72.50 71.63 1lei s THR 99 CO -0.01 -0.04 0.75 -3.20 -0.54 0.00 0.00 174.62 171.59 1lei n ASN 100 N -4.47 1.65 -2.70 3.99 5.15 -1.26 -4.50 115.26 113.13 1lei n ASN 100 Ca 0.05 -1.34 -0.08 0.00 -0.60 0.00 0.00 54.58 52.60 1lei n ASN 100 Cb 0.56 -0.01 0.07 0.00 -0.53 0.00 0.00 39.78 39.86 1lei n ASN 100 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lei n GLY 101 N 0.37 -2.00 0.23 8.20 0.00 -1.26 -4.95 105.19 105.78 1lei n GLY 101 Ca 0.04 -1.55 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 1lei n GLY 101 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1lei h LYS 102 N 0.00 0.73 -5.24 1.61 3.64 -2.03 -3.38 116.57 111.90 1lei h LYS 102 Ca -0.12 -0.07 -0.66 0.00 -1.27 0.00 0.00 60.65 58.52 1lei h LYS 102 Cb 0.35 -0.15 -0.16 0.00 -0.41 0.00 0.00 32.23 31.86 1lei h LYS 102 CO 0.08 0.54 0.16 -0.80 -2.27 0.00 0.00 179.45 177.17 1lei s ASN 103 N -5.79 6.27 0.02 4.20 0.01 -1.26 -5.03 114.94 113.36 1lei s ASN 103 Ca -0.13 -0.67 -0.30 0.00 -0.71 0.00 0.00 52.86 51.05 1lei s ASN 103 Cb 0.12 -2.32 -0.07 0.00 0.41 0.00 0.00 41.25 39.39 1lei s ASN 103 CO 0.76 -0.93 1.57 -0.63 -1.51 0.00 0.00 177.10 176.36 1lei s ILE 104 N 2.92 3.36 0.20 0.60 -1.09 -1.26 -4.88 121.20 121.04 1lei s ILE 104 Ca 0.20 0.72 0.02 0.00 -2.23 0.00 0.00 60.65 59.36 1lei s ILE 104 Cb -0.17 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1lei s ILE 104 CO 0.15 -0.01 0.21 1.41 -1.23 0.00 0.00 174.94 175.46 1lei n HIS 105 N 5.82 -0.68 -2.91 3.97 8.25 -1.26 -4.62 115.22 123.79 1lei n HIS 105 Ca 0.15 -1.52 -0.42 0.00 -0.26 0.00 0.00 57.72 55.68 1lei n HIS 105 Cb 0.42 0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.71 1lei n HIS 105 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1lei s LEU 106 N 0.00 4.08 0.59 2.41 1.43 -1.13 -1.74 118.68 124.32 1lei s LEU 106 Ca 0.21 0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 54.13 1lei s LEU 106 Cb 0.00 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 1lei s LEU 106 CO 0.15 -0.53 1.02 -2.28 0.23 0.00 0.00 176.35 174.94 1lei s HIS 107 N 2.86 3.50 -0.27 0.29 5.65 -1.19 -4.79 115.29 121.34 1lei s HIS 107 Ca 0.34 1.37 0.20 0.00 0.25 0.00 0.00 55.06 57.22 1lei s HIS 107 Cb -0.15 -2.77 0.29 0.00 -1.18 0.00 0.00 32.58 28.77 1lei s HIS 107 CO 0.08 -0.66 1.56 0.00 -0.65 0.00 0.00 174.74 175.08 1lei h ALA 108 N 0.05 0.86 -2.34 1.58 0.00 -1.91 -3.46 119.26 114.05 1lei h ALA 108 Ca -0.45 -0.20 -0.50 0.00 0.00 0.00 0.00 54.91 53.75 1lei h ALA 108 Cb 1.19 -0.04 0.13 0.00 0.00 0.00 0.00 17.79 19.07 1lei h ALA 108 CO 0.61 0.28 0.31 -1.01 0.00 0.00 0.00 179.25 179.44 1lei s HIS 109 N -3.14 2.62 0.01 0.00 3.76 -1.26 -4.79 115.29 112.48 1lei s HIS 109 Ca 0.05 1.40 -0.00 0.00 -0.15 0.00 0.00 55.06 56.36 1lei s HIS 109 Cb 0.06 -3.06 -0.01 0.00 1.11 0.00 0.00 32.58 30.68 1lei s HIS 109 CO 0.70 -1.87 -0.01 -1.54 -0.85 0.00 0.00 174.74 171.16 1lei s SER 110 N -3.52 0.12 -0.16 1.40 1.04 -1.18 -4.72 113.70 106.68 1lei s SER 110 Ca 0.61 -0.26 -0.29 0.00 0.48 0.00 0.00 55.95 56.49 1lei s SER 110 Cb -0.17 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1lei s SER 110 CO 0.56 -0.16 1.49 -0.76 0.98 0.00 0.00 173.24 175.35 1lei s LEU 111 N -0.77 4.11 -0.26 2.42 1.43 -0.93 -1.34 118.68 123.34 1lei s LEU 111 Ca -0.08 1.80 -0.14 0.00 -1.03 0.00 0.00 54.13 54.67 1lei s LEU 111 Cb -0.05 -3.53 -0.15 0.00 0.03 0.00 0.00 46.19 42.48 1lei s LEU 111 CO -0.00 -0.99 -0.19 1.33 0.23 0.00 0.00 176.35 176.73 1lei n VAL 112 N 5.79 1.54 0.00 -1.59 0.24 -0.33 -4.44 118.33 119.53 1lei n VAL 112 Ca 0.16 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1lei n VAL 112 Cb 0.44 -1.86 0.00 0.00 -1.47 0.00 0.00 33.84 30.95 1lei n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lei n GLY 113 N 1.43 -1.32 0.00 7.63 0.00 -1.25 -4.35 105.19 107.33 1lei n GLY 113 Ca -0.48 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1lei n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lei n LYS 114 N 0.00 0.00 -0.54 1.61 4.76 -0.95 -1.89 118.16 121.15 1lei n LYS 114 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1lei n LYS 114 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 1lei n LYS 114 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1lei n HIS 115 N 0.00 0.06 -3.59 2.13 8.25 -1.26 -4.77 115.22 116.03 1lei n HIS 115 Ca 0.00 -0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 56.21 1lei n HIS 115 Cb 0.00 -1.07 -0.11 0.00 1.12 0.00 0.00 29.99 29.93 1lei n HIS 115 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lei s GLU 117 N 1.62 2.03 -1.51 0.00 -1.05 -0.77 -4.78 118.70 114.24 1lei s GLU 117 Ca 0.04 -0.76 -0.11 0.00 -0.15 0.00 0.00 54.97 53.99 1lei s GLU 117 Cb -0.18 -1.80 0.07 0.00 -0.44 0.00 0.00 34.13 31.79 1lei s GLU 117 CO 0.07 0.36 0.89 -3.47 0.95 0.00 0.00 175.26 174.06 1lei n ASP 118 N 2.90 -3.86 0.00 0.83 -0.08 -1.26 -2.95 116.55 112.13 1lei n ASP 118 Ca -0.17 -0.82 0.00 0.00 -1.51 0.00 0.00 54.79 52.29 1lei n ASP 118 Cb 0.52 -3.77 0.00 0.00 2.34 0.00 0.00 41.12 40.22 1lei n ASP 118 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lei n GLY 119 N -1.66 3.07 3.24 0.27 0.00 -1.26 -5.05 105.19 103.80 1lei n GLY 119 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1lei n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lei s VAL 120 N -2.96 1.56 0.04 1.61 0.11 -1.15 -2.19 120.40 117.42 1lei s VAL 120 Ca 0.00 -1.32 -0.05 0.00 -2.93 0.00 0.00 61.98 57.69 1lei s VAL 120 Cb 0.00 -1.40 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 1lei s VAL 120 CO 0.00 0.04 0.27 0.00 -3.33 0.00 0.00 175.10 172.08 1lei s THR 122 N -1.41 0.55 0.35 0.00 2.01 -1.04 -1.48 115.64 114.62 1lei s THR 122 Ca 0.32 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1lei s THR 122 Cb -0.13 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1lei s THR 122 CO 0.20 0.17 0.25 0.68 -0.69 0.00 0.00 174.62 175.24 1lei s VAL 123 N 0.06 0.10 0.12 3.82 -7.23 -0.62 -4.73 120.40 111.93 1lei s VAL 123 Ca -0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1lei s VAL 123 Cb -0.05 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1lei s VAL 123 CO -0.00 0.00 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.71 1lei s THR 124 N -3.38 1.69 -0.01 5.32 2.01 -1.26 -2.96 115.64 117.04 1lei s THR 124 Ca 0.37 -1.66 0.02 0.00 0.31 0.00 0.00 61.69 60.73 1lei s THR 124 Cb 0.02 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 70.94 1lei s THR 124 CO 0.25 -0.17 0.81 0.00 -0.69 0.00 0.00 174.62 174.82 1lei n ALA 125 N 0.81 1.61 -0.36 7.40 0.00 0.57 -4.87 120.51 125.67 1lei n ALA 125 Ca -0.17 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1lei n ALA 125 Cb 0.55 -0.09 0.15 0.00 0.00 0.00 0.00 19.45 20.06 1lei n ALA 125 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1lei h GLY 126 N 0.00 1.44 0.00 0.00 0.00 -1.67 -3.36 103.07 99.47 1lei h GLY 126 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1lei h GLY 126 CO 0.00 0.43 0.00 -1.05 0.00 0.00 0.00 176.54 175.92 1lei n PRO 127 N -4.43 2.13 0.26 4.80 -0.02 -1.26 -4.18 135.00 132.29 1lei n PRO 127 Ca 0.13 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.76 1lei n PRO 127 Cb 0.09 0.00 0.77 0.00 -0.02 0.00 0.00 33.50 34.34 1lei n PRO 127 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1lei h LYS 128 N 0.00 0.00 0.00 -0.52 1.79 -1.96 -3.45 116.57 112.43 1lei h LYS 128 Ca 0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 1lei h LYS 128 Cb 0.00 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.56 1lei h LYS 128 CO 0.00 0.00 -0.32 -0.40 -1.08 0.00 0.00 179.45 177.65 1lei n ASP 129 N -2.61 0.58 -1.38 0.86 5.75 -1.26 -5.08 116.55 113.41 1lei n ASP 129 Ca -0.02 -2.52 -0.02 0.00 -0.01 0.00 0.00 54.79 52.23 1lei n ASP 129 Cb 0.21 0.87 0.11 0.00 -1.03 0.00 0.00 41.12 41.28 1lei n ASP 129 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1lei n MET 130 N -0.57 1.70 -3.82 0.11 2.81 -1.26 -4.72 117.12 111.37 1lei n MET 130 Ca -0.01 -3.23 -0.30 0.00 -1.81 0.00 0.00 57.70 52.35 1lei n MET 130 Cb 0.42 -1.40 -0.14 0.00 -0.71 0.00 0.00 33.22 31.39 1lei n MET 130 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1lei s VAL 131 N -2.88 1.76 0.40 2.03 1.01 -1.26 -0.76 120.40 120.69 1lei s VAL 131 Ca 0.39 -2.57 -0.20 0.00 0.00 0.00 0.00 61.98 59.59 1lei s VAL 131 Cb 0.38 -2.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.40 1lei s VAL 131 CO -0.06 -0.80 0.91 -0.69 0.00 0.00 0.00 175.10 174.45 1lei s VAL 132 N 0.43 4.43 0.39 2.92 1.01 0.41 -4.90 120.40 125.08 1lei s VAL 132 Ca 0.15 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1lei s VAL 132 Cb -0.23 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 1lei s VAL 132 CO -0.04 -0.24 0.01 0.61 0.00 0.00 0.00 175.10 175.44 1lei n GLY 133 N -0.45 3.67 2.62 4.51 0.00 -1.26 -0.32 105.19 113.96 1lei n GLY 133 Ca 0.06 -2.31 -0.15 0.00 0.00 0.00 0.00 46.02 43.62 1lei n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lei s PHE 134 N -2.47 -0.37 -0.14 1.61 0.08 -0.28 -4.89 117.98 111.52 1lei s PHE 134 Ca 0.02 -1.31 -0.15 0.00 0.12 0.00 0.00 56.93 55.61 1lei s PHE 134 Cb 0.00 -0.26 -0.05 0.00 -0.57 0.00 0.00 43.02 42.14 1lei s PHE 134 CO 0.01 -1.06 0.34 0.00 -0.10 0.00 0.00 175.22 174.42 1lei s ALA 135 N 0.61 3.57 -0.03 5.36 0.00 -1.26 -4.04 121.76 125.96 1lei s ALA 135 Ca 0.30 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 1lei s ALA 135 Cb 0.00 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.68 1lei s ALA 135 CO -0.11 0.09 0.06 -1.71 0.00 0.00 0.00 175.76 174.08 1lei n ASN 136 N 3.52 -6.41 -2.69 0.00 5.15 -1.26 -4.64 115.26 108.94 1lei n ASN 136 Ca -0.11 1.64 0.02 0.00 -0.60 0.00 0.00 54.58 55.54 1lei n ASN 136 Cb 0.52 -4.73 0.01 0.00 -0.53 0.00 0.00 39.78 35.04 1lei n ASN 136 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1lei s LEU 137 N -0.53 -0.07 1.08 1.20 2.34 -1.26 -2.24 118.68 119.20 1lei s LEU 137 Ca -0.07 -0.03 -0.13 0.00 0.06 0.00 0.00 54.13 53.96 1lei s LEU 137 Cb 0.00 0.11 0.23 0.00 -0.56 0.00 0.00 46.19 45.98 1lei s LEU 137 CO 0.18 -0.01 1.06 -0.83 -1.06 0.00 0.00 176.35 175.70 1lei s GLY 138 N 2.02 1.55 -0.33 -3.48 0.00 -1.26 -3.89 107.32 101.94 1lei s GLY 138 Ca 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.52 1lei s GLY 138 CO -0.17 0.37 0.07 -0.42 0.00 0.00 0.00 173.10 172.95 1lei s ILE 139 N -2.76 3.48 0.11 0.90 1.01 -1.26 -1.18 121.20 121.49 1lei s ILE 139 Ca 0.67 -1.25 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 1lei s ILE 139 Cb -0.21 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.19 1lei s ILE 139 CO 0.61 -0.17 1.24 -0.22 0.00 0.00 0.00 174.94 176.39 1lei s LEU 140 N 1.34 4.39 -0.20 2.97 2.96 -0.45 -2.34 118.68 127.35 1lei s LEU 140 Ca -0.03 2.14 -0.16 0.00 -0.22 0.00 0.00 54.13 55.87 1lei s LEU 140 Cb -0.20 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1lei s LEU 140 CO 0.01 -0.48 0.40 -2.28 -1.32 0.00 0.00 176.35 172.68 1lei s HIS 141 N 0.74 3.38 0.17 5.38 5.65 0.33 -3.10 115.29 127.84 1lei s HIS 141 Ca 0.58 0.62 -0.10 0.00 0.25 0.00 0.00 55.06 56.41 1lei s HIS 141 Cb -0.32 -2.52 -0.07 0.00 -1.18 0.00 0.00 32.58 28.49 1lei s HIS 141 CO 0.32 0.00 0.49 0.54 -0.65 0.00 0.00 174.74 175.44 1lei s VAL 142 N 1.27 4.98 0.67 0.89 0.11 -1.26 -4.06 120.40 123.00 1lei s VAL 142 Ca 0.19 0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 59.58 1lei s VAL 142 Cb -0.15 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 1lei s VAL 142 CO 0.08 0.09 1.10 0.28 -3.33 0.00 0.00 175.10 173.32 1lei s THR 143 N -1.63 3.31 0.17 5.04 -1.32 -1.26 -4.93 115.64 115.02 1lei s THR 143 Ca 0.41 0.58 -0.12 0.00 -1.21 0.00 0.00 61.69 61.35 1lei s THR 143 Cb -0.13 -3.10 0.06 0.00 -1.51 0.00 0.00 72.50 67.82 1lei s THR 143 CO 0.21 -0.41 1.71 0.11 -2.21 0.00 0.00 174.62 174.03 1lei h LYS 144 N -0.12 0.85 -0.97 7.08 1.57 -2.01 -2.73 116.57 120.25 1lei h LYS 144 Ca -0.46 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1lei h LYS 144 Cb 1.24 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 1lei h LYS 144 CO 0.54 0.74 0.62 0.87 -0.57 0.00 0.00 179.45 181.65 1lei h LYS 145 N 0.77 1.29 -0.49 3.15 1.57 -2.05 -2.28 116.57 118.54 1lei h LYS 145 Ca 0.19 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1lei h LYS 145 Cb 0.22 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1lei h LYS 145 CO -0.01 0.87 0.00 1.63 -0.57 0.00 0.00 179.45 181.37 1lei n LYS 146 N -4.37 1.45 0.20 3.15 5.02 -1.05 -4.18 118.16 118.37 1lei n LYS 146 Ca 0.11 -0.47 -0.09 0.00 -2.02 0.00 0.00 58.31 55.84 1lei n LYS 146 Cb 0.03 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 1lei n LYS 146 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1lei h VAL 147 N 0.69 0.00 -0.73 -0.18 3.04 -1.20 -2.30 116.25 115.57 1lei h VAL 147 Ca 0.00 -0.56 0.15 0.00 -1.01 0.00 0.00 66.70 65.28 1lei h VAL 147 Cb 0.43 0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 29.60 1lei h VAL 147 CO 0.04 0.00 0.22 0.15 -1.01 0.00 0.00 177.57 176.97 1lei h PHE 148 N -1.14 0.36 0.00 3.17 3.57 -1.79 0.57 116.94 121.69 1lei h PHE 148 Ca -0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1lei h PHE 148 Cb 0.44 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1lei h PHE 148 CO 0.00 -0.03 0.00 0.39 -2.23 0.00 0.00 178.31 176.45 1lei n GLU 149 N -5.09 0.00 -0.31 1.11 1.02 -1.24 -1.46 120.64 114.67 1lei n GLU 149 Ca 0.14 0.49 0.13 0.00 -0.02 0.00 0.00 57.16 57.90 1lei n GLU 149 Cb 0.43 -1.44 0.31 0.00 -0.02 0.00 0.00 31.44 30.72 1lei n GLU 149 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1lei h THR 150 N 0.00 0.49 0.08 2.62 2.02 -1.18 -1.27 112.91 115.67 1lei h THR 150 Ca 0.00 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1lei h THR 150 Cb 0.00 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1lei h THR 150 CO 0.00 0.08 -0.09 0.25 0.37 0.00 0.00 175.52 176.13 1lei h LEU 151 N 0.43 -0.24 -1.72 2.58 5.85 0.28 0.59 115.31 123.08 1lei h LEU 151 Ca 0.57 0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.52 1lei h LEU 151 Cb 1.07 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1lei h LEU 151 CO -0.52 -0.11 0.58 -0.08 -0.34 0.00 0.00 178.44 177.97 1lei h GLU 152 N -0.17 0.22 0.00 1.25 4.81 -0.90 0.41 114.58 120.20 1lei h GLU 152 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1lei h GLU 152 Cb 0.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1lei h GLU 152 CO -0.01 0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.42 1lei h ALA 153 N 1.61 1.00 -0.12 2.92 0.00 -0.79 -0.43 119.26 123.44 1lei h ALA 153 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1lei h ALA 153 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1lei h ALA 153 CO -0.10 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.69 1lei n ARG 154 N -2.99 1.62 -0.13 0.00 1.74 0.13 -3.40 116.66 113.63 1lei n ARG 154 Ca 0.02 -1.66 -0.24 0.00 -0.77 0.00 0.00 57.85 55.20 1lei n ARG 154 Cb 0.38 -1.34 -0.11 0.00 -1.02 0.00 0.00 32.46 30.37 1lei n ARG 154 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1lei n MET 155 N 0.96 0.62 -0.00 5.56 2.81 -0.11 -3.52 117.12 123.44 1lei n MET 155 Ca 0.11 0.21 -0.11 0.00 -1.81 0.00 0.00 57.70 56.11 1lei n MET 155 Cb 0.44 -1.51 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 1lei n MET 155 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1lei h THR 156 N -0.50 1.03 -0.13 2.03 1.35 -1.27 0.58 112.91 116.01 1lei h THR 156 Ca -0.63 -0.07 0.04 0.00 -0.55 0.00 0.00 66.41 65.19 1lei h THR 156 Cb 1.76 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1lei h THR 156 CO -0.25 0.03 0.20 -0.33 -0.25 0.00 0.00 175.52 174.92 1lei h GLU 157 N 0.13 0.00 -0.00 4.72 4.39 -1.75 0.93 114.58 123.00 1lei h GLU 157 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1lei h GLU 157 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1lei h GLU 157 CO -0.01 0.00 -0.05 0.00 -1.16 0.00 0.00 179.01 177.80 1lei n ALA 158 N -2.21 2.65 -0.06 3.43 0.00 0.17 -2.62 120.51 121.86 1lei n ALA 158 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 1lei n ALA 158 Cb 0.31 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 1lei n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lei n ILE 160 N -2.86 1.43 -3.65 0.00 -5.35 -0.30 -4.70 119.36 103.94 1lei n ILE 160 Ca -0.22 -0.74 -0.18 0.00 -0.27 0.00 0.00 62.75 61.34 1lei n ILE 160 Cb 0.74 -0.34 -0.16 0.00 -1.74 0.00 0.00 39.64 38.14 1lei n ILE 160 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1lei s ARG 161 N -1.92 0.03 0.05 6.28 1.81 -1.08 -4.74 118.95 119.39 1lei s ARG 161 Ca 0.29 0.47 -0.22 0.00 -1.72 0.00 0.00 55.73 54.55 1lei s ARG 161 Cb 0.22 -0.48 -0.10 0.00 -0.45 0.00 0.00 34.95 34.13 1lei s ARG 161 CO 0.09 -0.36 1.34 0.78 -0.68 0.00 0.00 175.30 176.46 1lei h GLY 162 N 8.37 -1.05 0.00 -3.53 0.00 -1.84 -3.09 103.07 101.94 1lei h GLY 162 Ca -0.13 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1lei h GLY 162 CO 0.16 -0.33 0.71 1.58 0.00 0.00 0.00 176.54 178.66 1lei n TYR 163 N -4.23 0.00 -3.61 5.60 0.18 -1.26 -3.01 117.16 110.83 1lei n TYR 163 Ca -0.07 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.35 1lei n TYR 163 Cb 0.28 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.16 1lei n TYR 163 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 1lei s ASN 164 N -2.43 6.35 0.00 9.48 0.02 -1.17 -4.97 114.94 122.23 1lei s ASN 164 Ca 0.00 0.41 0.00 0.00 -1.02 0.00 0.00 52.86 52.25 1lei s ASN 164 Cb 0.00 -2.15 0.00 0.00 0.02 0.00 0.00 41.25 39.12 1lei s ASN 164 CO 0.00 0.13 0.00 -2.65 0.02 0.00 0.00 177.10 174.60 1lei n PRO 165 N 3.54 1.22 -0.42 -0.60 -0.02 -1.26 -4.61 135.00 132.86 1lei n PRO 165 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1lei n PRO 165 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1lei n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lei n GLY 166 N 0.00 0.17 0.11 -1.23 0.00 -1.26 -4.76 105.19 98.22 1lei n GLY 166 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1lei n GLY 166 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lei n LEU 167 N 0.00 0.80 0.01 0.99 4.77 -1.26 -2.74 117.00 119.58 1lei n LEU 167 Ca 0.00 -0.70 0.11 0.00 -0.03 0.00 0.00 56.01 55.39 1lei n LEU 167 Cb 0.63 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 1lei n LEU 167 CO 0.00 0.17 -0.34 0.18 -1.33 0.00 0.00 177.39 176.08 1lei n LEU 168 N -0.53 0.44 -0.10 2.23 4.77 -1.26 -4.33 117.00 118.23 1lei n LEU 168 Ca 0.02 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 1lei n LEU 168 Cb 0.13 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 1lei n LEU 168 CO 0.09 0.04 -1.13 1.33 -1.33 0.00 0.00 177.39 176.39 1lei n VAL 169 N -2.08 1.17 0.00 4.08 0.24 -1.26 -2.84 118.33 117.64 1lei n VAL 169 Ca -0.00 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1lei n VAL 169 Cb 0.49 -0.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 1lei n VAL 169 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1lei n HIS 170 N -2.91 0.00 -0.30 6.34 -0.00 -1.24 -4.87 115.22 112.24 1lei n HIS 170 Ca -0.33 0.00 0.09 0.00 0.46 0.00 0.00 57.72 57.94 1lei n HIS 170 Cb 0.95 0.00 0.25 0.00 -0.12 0.00 0.00 29.99 31.07 1lei n HIS 170 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1lei h SER 171 N 0.00 0.48 0.00 0.26 4.64 -1.79 -0.61 113.55 116.54 1lei h SER 171 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1lei h SER 171 Cb 0.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1lei h SER 171 CO 0.00 0.16 0.00 0.47 -0.87 0.00 0.00 176.83 176.59 1lei n ASP 172 N -4.91 0.00 0.00 4.97 9.92 -1.26 -0.87 116.55 124.40 1lei n ASP 172 Ca 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 1lei n ASP 172 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1lei n ASP 172 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1lei n LEU 173 N -0.33 0.40 -0.60 0.64 4.77 -0.23 -4.80 117.00 116.84 1lei n LEU 173 Ca 0.00 -0.42 0.48 0.00 -0.03 0.00 0.00 56.01 56.04 1lei n LEU 173 Cb 0.00 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 41.88 1lei n LEU 173 CO 0.00 0.10 1.43 0.00 -1.33 0.00 0.00 177.39 177.58 1lei h ALA 174 N 0.00 3.57 0.00 -1.18 0.00 -0.81 -2.90 119.26 117.95 1lei h ALA 174 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 1lei h ALA 174 Cb 0.26 0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1lei h ALA 174 CO 0.00 -2.11 2.39 0.66 0.00 0.00 0.00 179.25 180.19 1lei n TYR 175 N -4.10 1.19 -1.99 0.00 4.02 -1.26 -2.42 117.16 112.60 1lei n TYR 175 Ca 0.40 -1.76 0.00 0.00 -0.01 0.00 0.00 57.90 56.53 1lei n TYR 175 Cb 1.80 -1.53 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 1lei n TYR 175 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1lei n LEU 176 N 4.41 0.00 -4.08 7.72 4.77 -1.10 -5.14 117.00 123.58 1lei n LEU 176 Ca 0.39 -0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.87 1lei n LEU 176 Cb 0.12 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1lei n LEU 176 CO 0.69 0.31 -1.19 0.00 -1.33 0.00 0.00 177.39 175.87 1lei n GLN 177 N 0.00 -0.09 -0.37 3.23 6.02 -1.02 -4.51 117.38 120.65 1lei n GLN 177 Ca 0.00 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.80 1lei n GLN 177 Cb 0.32 -1.16 -0.04 0.00 1.02 0.00 0.00 30.24 30.38 1lei n GLN 177 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lei n ALA 178 N -2.83 0.06 -3.15 -1.58 0.00 -1.16 -4.87 120.51 106.98 1lei n ALA 178 Ca -0.01 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1lei n ALA 178 Cb 0.58 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.41 1lei n ALA 178 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1lei s GLU 179 N 1.76 0.48 0.31 0.00 1.03 -1.26 -4.90 118.70 116.13 1lei s GLU 179 Ca 0.35 0.70 0.00 0.00 0.03 0.00 0.00 54.97 56.05 1lei s GLU 179 Cb -0.43 0.37 0.00 0.00 -0.80 0.00 0.00 34.13 33.26 1lei s GLU 179 CO 0.19 -0.69 0.00 0.41 -1.33 0.00 0.00 175.26 173.85 1lei n GLY 180 N 5.41 -1.96 3.45 -3.83 0.00 -1.26 -4.74 105.19 102.26 1lei n GLY 180 Ca 0.01 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 1lei n GLY 180 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lei s GLY 181 N -6.53 -0.11 0.00 -0.02 0.00 -1.26 -4.32 107.32 95.07 1lei s GLY 181 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1lei s GLY 181 CO 0.00 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.41 1lei n GLY 182 N -0.30 3.25 3.62 0.20 0.00 -1.26 -5.07 105.19 105.62 1lei n GLY 182 Ca -0.12 -0.92 -0.51 0.00 0.00 0.00 0.00 46.02 44.47 1lei n GLY 182 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lei n ASP 183 N 0.00 2.06 -3.39 1.61 9.92 -1.26 -4.97 116.55 120.51 1lei n ASP 183 Ca 0.00 1.10 -0.11 0.00 -0.53 0.00 0.00 54.79 55.26 1lei n ASP 183 Cb 0.00 -1.24 -0.02 0.00 -0.64 0.00 0.00 41.12 39.22 1lei n ASP 183 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lei s ARG 184 N 0.97 1.91 -0.24 -1.24 1.70 -1.26 -5.16 118.95 115.63 1lei s ARG 184 Ca 0.85 -1.47 -0.11 0.00 -0.47 0.00 0.00 55.73 54.53 1lei s ARG 184 Cb -0.90 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 33.95 1lei s ARG 184 CO 0.47 -0.84 0.18 -0.65 -1.08 0.00 0.00 175.30 173.39 1lei s GLN 185 N -3.15 4.08 0.37 3.89 -0.21 -1.26 -5.03 119.66 118.35 1lei s GLN 185 Ca 0.22 -0.22 -0.25 0.00 0.02 0.00 0.00 55.36 55.13 1lei s GLN 185 Cb -0.02 -3.54 -0.09 0.00 1.00 0.00 0.00 33.01 30.35 1lei s GLN 185 CO 0.14 0.05 1.03 -0.51 -2.12 0.00 0.00 175.29 173.87 1lei s LEU 186 N 1.08 4.23 -0.03 2.90 1.43 -1.26 -4.93 118.68 122.10 1lei s LEU 186 Ca 0.09 2.01 -0.40 0.00 -1.03 0.00 0.00 54.13 54.80 1lei s LEU 186 Cb -0.14 -4.09 -0.19 0.00 0.03 0.00 0.00 46.19 41.81 1lei s LEU 186 CO 0.05 -0.35 1.24 0.41 0.23 0.00 0.00 176.35 177.93 1lei n THR 187 N 0.21 0.02 0.32 5.49 -1.04 -1.26 -4.61 114.28 113.40 1lei n THR 187 Ca 0.04 -0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.09 1lei n THR 187 Cb 0.49 -0.36 0.20 0.00 -1.82 0.00 0.00 70.33 68.84 1lei n THR 187 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1lei n ASP 188 N 2.24 0.00 0.09 8.00 8.00 -1.26 0.62 116.55 134.24 1lei n ASP 188 Ca 0.21 0.47 -0.19 0.00 0.71 0.00 0.00 54.79 55.99 1lei n ASP 188 Cb 0.10 -0.48 -0.15 0.00 -0.02 0.00 0.00 41.12 40.58 1lei n ASP 188 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1lei h ARG 189 N 0.00 0.34 0.00 -1.24 2.43 -2.02 -3.31 114.38 110.57 1lei h ARG 189 Ca 0.00 -0.58 -0.18 0.00 -0.81 0.00 0.00 59.98 58.41 1lei h ARG 189 Cb 0.15 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1lei h ARG 189 CO 0.00 1.24 -1.55 -0.85 -1.51 0.00 0.00 179.97 177.30 1lei n GLU 190 N -3.55 0.63 0.24 0.20 0.28 -0.40 -4.08 120.64 113.96 1lei n GLU 190 Ca -0.16 0.18 0.08 0.00 -0.16 0.00 0.00 57.16 57.11 1lei n GLU 190 Cb 1.06 -1.77 0.59 0.00 1.43 0.00 0.00 31.44 32.75 1lei n GLU 190 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1lei h LYS 191 N 0.00 0.00 -0.06 3.44 3.64 0.04 -2.69 116.57 120.95 1lei h LYS 191 Ca -0.20 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1lei h LYS 191 Cb 1.64 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1lei h LYS 191 CO 0.04 0.14 -0.04 1.49 -2.27 0.00 0.00 179.45 178.81 1lei h GLU 192 N 0.00 0.13 0.00 1.90 4.81 -1.71 -2.65 114.58 117.06 1lei h GLU 192 Ca -0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1lei h GLU 192 Cb 0.27 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1lei h GLU 192 CO 0.02 0.55 -0.01 -0.84 -0.73 0.00 0.00 179.01 178.00 1lei h ILE 193 N -0.28 0.15 -0.04 2.32 3.07 -1.67 -0.22 117.51 120.84 1lei h ILE 193 Ca 0.01 -0.06 -0.02 0.00 1.55 0.00 0.00 64.86 66.33 1lei h ILE 193 Cb 0.52 1.05 -0.00 0.00 -0.27 0.00 0.00 36.82 38.12 1lei h ILE 193 CO 0.01 0.01 -0.07 0.40 -1.05 0.00 0.00 178.15 177.45 1lei h ILE 194 N 0.00 1.42 0.00 0.16 1.08 -1.21 0.80 117.51 119.76 1lei h ILE 194 Ca -0.00 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1lei h ILE 194 Cb 0.05 2.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1lei h ILE 194 CO 0.00 0.36 0.00 -1.14 -0.69 0.00 0.00 178.15 176.68 1lei n ARG 195 N -4.72 0.08 -0.02 2.37 0.63 -0.34 -2.25 116.66 112.40 1lei n ARG 195 Ca -0.08 0.20 -0.19 0.00 -0.92 0.00 0.00 57.85 56.86 1lei n ARG 195 Cb 0.32 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.59 1lei n ARG 195 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1lei n GLN 196 N -1.43 0.73 -0.24 -0.14 6.02 -0.24 -3.51 117.38 118.57 1lei n GLN 196 Ca 0.05 0.24 -0.08 0.00 -0.01 0.00 0.00 57.00 57.20 1lei n GLN 196 Cb 0.16 -1.68 0.04 0.00 1.02 0.00 0.00 30.24 29.78 1lei n GLN 196 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lei h ALA 197 N 0.18 0.90 0.27 -1.58 0.00 -0.49 -2.22 119.26 116.31 1lei h ALA 197 Ca -0.44 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1lei h ALA 197 Cb 2.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1lei h ALA 197 CO 0.06 0.67 -0.28 0.00 0.00 0.00 0.00 179.25 179.69 1lei h ALA 198 N 1.05 -0.57 -0.76 0.00 0.00 -1.61 0.10 119.26 117.48 1lei h ALA 198 Ca 0.21 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1lei h ALA 198 Cb 0.44 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1lei h ALA 198 CO 0.01 -0.86 0.50 0.28 0.00 0.00 0.00 179.25 179.18 1lei h VAL 199 N -0.58 0.96 0.00 0.00 2.07 -1.57 0.18 116.25 117.31 1lei h VAL 199 Ca -0.01 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1lei h VAL 199 Cb 0.54 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1lei h VAL 199 CO -0.06 0.13 -0.26 0.00 0.02 0.00 0.00 177.57 177.40 1lei n GLN 200 N -4.49 0.01 0.00 1.57 1.13 -0.85 -3.58 117.38 111.17 1lei n GLN 200 Ca 0.12 0.01 0.04 0.00 -1.94 0.00 0.00 57.00 55.23 1lei n GLN 200 Cb 0.30 -1.51 -0.00 0.00 0.11 0.00 0.00 30.24 29.14 1lei n GLN 200 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1lei n GLN 201 N -1.53 2.15 0.04 -1.09 6.02 0.30 -4.47 117.38 118.81 1lei n GLN 201 Ca 0.06 -0.56 -0.20 0.00 -0.01 0.00 0.00 57.00 56.29 1lei n GLN 201 Cb 0.34 -1.04 -0.14 0.00 1.02 0.00 0.00 30.24 30.42 1lei n GLN 201 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1lei h THR 202 N 0.95 0.88 -0.75 5.09 2.02 -0.77 -3.34 112.91 116.99 1lei h THR 202 Ca 0.00 -2.54 0.20 0.00 0.77 0.00 0.00 66.41 64.84 1lei h THR 202 Cb 0.29 2.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.32 1lei h THR 202 CO 0.00 0.83 0.53 0.11 0.37 0.00 0.00 175.52 177.36 1lei h LYS 203 N 0.08 0.11 -0.16 6.66 1.57 -1.78 -2.99 116.57 120.06 1lei h LYS 203 Ca -0.34 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.26 1lei h LYS 203 Cb 2.06 -0.02 -0.26 0.00 0.08 0.00 0.00 32.23 34.09 1lei h LYS 203 CO 0.14 0.07 -0.83 0.39 -0.57 0.00 0.00 179.45 178.66 1lei n GLU 204 N -4.37 1.30 -2.94 3.15 -0.58 -1.26 -5.06 120.64 110.88 1lei n GLU 204 Ca 0.15 -2.97 -0.41 0.00 -0.42 0.00 0.00 57.16 53.51 1lei n GLU 204 Cb 0.74 -1.11 -0.04 0.00 -0.57 0.00 0.00 31.44 30.46 1lei n GLU 204 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1lei s MET 205 N -2.17 4.36 -0.43 3.49 1.75 -1.13 -5.02 119.30 120.14 1lei s MET 205 Ca 0.37 0.98 -0.19 0.00 -1.25 0.00 0.00 55.69 55.60 1lei s MET 205 Cb 0.38 -3.52 0.02 0.00 2.84 0.00 0.00 34.83 34.55 1lei s MET 205 CO -0.09 -0.16 0.55 0.34 -0.65 0.00 0.00 175.02 175.00 1lei s ASP 206 N 1.03 6.26 0.00 1.11 3.68 -1.26 -4.94 116.67 122.54 1lei s ASP 206 Ca 0.39 -0.53 0.31 0.00 2.13 0.00 0.00 52.55 54.85 1lei s ASP 206 Cb -0.17 -2.27 1.64 0.00 -1.45 0.00 0.00 42.92 40.66 1lei s ASP 206 CO 0.16 -0.69 2.11 0.18 0.13 0.00 0.00 175.17 177.05 1lei n LEU 207 N 5.95 0.00 0.07 -1.34 4.77 -1.26 -3.47 117.00 121.72 1lei n LEU 207 Ca -0.04 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1lei n LEU 207 Cb 0.47 -0.20 0.21 0.00 -2.33 0.00 0.00 43.42 41.57 1lei n LEU 207 CO 0.50 -0.00 0.45 0.77 -1.33 0.00 0.00 177.39 177.79 1lei h SER 208 N 0.00 0.00 -3.99 -1.43 4.64 -1.96 -3.46 113.55 107.35 1lei h SER 208 Ca 0.00 -0.16 -0.31 0.00 -0.47 0.00 0.00 61.79 60.85 1lei h SER 208 Cb 0.20 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.02 1lei h SER 208 CO 0.00 0.08 -0.75 0.54 -0.87 0.00 0.00 176.83 175.83 1lei s VAL 209 N -3.16 0.40 0.18 0.95 0.11 -1.23 -1.05 120.40 116.61 1lei s VAL 209 Ca 0.07 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 58.79 1lei s VAL 209 Cb 0.13 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1lei s VAL 209 CO 0.70 0.06 0.15 0.68 -3.33 0.00 0.00 175.10 173.35 1lei s VAL 210 N -0.25 0.04 0.14 2.04 -7.23 -0.76 -4.65 120.40 109.72 1lei s VAL 210 Ca 0.01 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1lei s VAL 210 Cb -0.03 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1lei s VAL 210 CO -0.00 -0.16 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.47 1lei s ARG 211 N -4.10 0.97 -0.18 4.82 0.52 0.16 -0.71 118.95 120.43 1lei s ARG 211 Ca 0.31 -1.43 -0.08 0.00 -0.52 0.00 0.00 55.73 54.01 1lei s ARG 211 Cb 0.06 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.29 1lei s ARG 211 CO 0.08 -0.09 0.10 -0.51 0.02 0.00 0.00 175.30 174.90 1lei s LEU 212 N -3.10 4.04 -0.54 2.53 1.02 -1.26 -0.05 118.68 121.32 1lei s LEU 212 Ca 0.18 0.19 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 1lei s LEU 212 Cb 0.06 -2.03 0.14 0.00 0.02 0.00 0.00 46.19 44.38 1lei s LEU 212 CO -0.00 0.21 0.33 -0.32 0.02 0.00 0.00 176.35 176.58 1lei s MET 213 N 0.19 2.26 0.04 1.70 1.75 -0.73 -0.27 119.30 124.24 1lei s MET 213 Ca 0.07 -2.33 -0.27 0.00 -1.25 0.00 0.00 55.69 51.90 1lei s MET 213 Cb -0.12 -3.59 -0.05 0.00 2.84 0.00 0.00 34.83 33.91 1lei s MET 213 CO -0.00 -1.12 0.87 -0.06 -0.65 0.00 0.00 175.02 174.05 1lei s PHE 214 N 0.25 3.72 -0.02 4.11 0.08 -0.72 -2.95 117.98 122.46 1lei s PHE 214 Ca 0.14 1.60 -0.01 0.00 0.12 0.00 0.00 56.93 58.78 1lei s PHE 214 Cb -0.22 -2.96 0.01 0.00 -0.57 0.00 0.00 43.02 39.29 1lei s PHE 214 CO -0.03 0.17 0.05 0.99 -0.10 0.00 0.00 175.22 176.29 1lei s THR 215 N 0.30 -0.02 -0.10 0.64 2.01 -1.03 -1.07 115.64 116.37 1lei s THR 215 Ca 0.44 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1lei s THR 215 Cb -0.21 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1lei s THR 215 CO 0.26 0.03 -0.20 0.00 -0.69 0.00 0.00 174.62 174.02 1lei s ALA 216 N 0.43 2.35 -0.11 7.40 0.00 -1.26 -0.46 121.76 130.10 1lei s ALA 216 Ca -0.03 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1lei s ALA 216 Cb -0.05 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 1lei s ALA 216 CO -0.01 0.30 -0.17 -0.06 0.00 0.00 0.00 175.76 175.82 1lei s PHE 217 N 0.24 2.72 0.50 0.00 0.08 0.16 -0.97 117.98 120.70 1lei s PHE 217 Ca -0.13 -0.71 0.05 0.00 0.12 0.00 0.00 56.93 56.26 1lei s PHE 217 Cb -0.16 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1lei s PHE 217 CO 0.07 -0.23 0.69 -0.51 -0.10 0.00 0.00 175.22 175.14 1lei s LEU 218 N 0.23 3.43 0.29 -0.37 1.43 0.13 -1.88 118.68 121.95 1lei s LEU 218 Ca -0.11 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1lei s LEU 218 Cb -0.16 -2.58 -0.10 0.00 0.03 0.00 0.00 46.19 43.38 1lei s LEU 218 CO 0.06 -1.02 1.32 -2.84 0.23 0.00 0.00 176.35 174.10 1lei s PRO 219 N -4.57 4.36 0.00 1.29 0.02 -1.26 -2.04 135.00 132.80 1lei s PRO 219 Ca 0.57 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1lei s PRO 219 Cb -0.09 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1lei s PRO 219 CO 0.36 -0.22 0.00 -0.40 -0.33 0.00 0.00 177.00 176.41 1lei n ASP 220 N 1.40 0.00 0.04 2.53 3.85 -1.18 -4.70 116.55 118.49 1lei n ASP 220 Ca 0.02 0.00 0.03 0.00 -0.71 0.00 0.00 54.79 54.13 1lei n ASP 220 Cb 0.42 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.12 1lei n ASP 220 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1lei n SER 221 N 0.00 0.79 -1.32 -1.12 3.41 -1.26 -4.17 113.62 109.94 1lei n SER 221 Ca 0.00 0.33 -0.04 0.00 -0.26 0.00 0.00 58.87 58.90 1lei n SER 221 Cb 0.00 0.35 0.22 0.00 -0.26 0.00 0.00 64.21 64.52 1lei n SER 221 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1lei n THR 222 N -2.80 2.62 -1.21 6.66 -2.24 -1.26 -4.92 114.28 111.12 1lei n THR 222 Ca -0.08 -2.34 -0.07 0.00 -2.27 0.00 0.00 64.05 59.29 1lei n THR 222 Cb 0.76 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1lei n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lei n GLY 223 N -0.90 0.88 3.33 3.38 0.00 -1.26 -4.98 105.19 105.64 1lei n GLY 223 Ca 0.35 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1lei n GLY 223 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lei s SER 224 N -2.53 5.60 -0.61 1.61 0.01 -1.26 -4.83 113.70 111.69 1lei s SER 224 Ca 0.00 -1.11 -0.21 0.00 1.31 0.00 0.00 55.95 55.93 1lei s SER 224 Cb 0.00 -1.97 -0.21 0.00 0.21 0.00 0.00 66.02 64.05 1lei s SER 224 CO 0.00 -0.39 1.71 0.49 0.41 0.00 0.00 173.24 175.46 1lei n PHE 225 N 4.93 0.50 -0.64 2.43 0.99 -1.26 -3.11 117.46 121.30 1lei n PHE 225 Ca -0.12 -0.19 0.02 0.00 -0.00 0.00 0.00 57.45 57.16 1lei n PHE 225 Cb 0.45 -1.72 0.03 0.00 -1.00 0.00 0.00 39.48 37.24 1lei n PHE 225 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1lei n THR 226 N 7.51 0.82 -2.76 4.37 -2.24 -0.87 -4.64 114.28 116.47 1lei n THR 226 Ca 0.32 -0.89 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 1lei n THR 226 Cb 0.45 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1lei n THR 226 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1lei s ARG 227 N -1.00 3.53 0.10 -0.78 3.00 -0.86 -4.83 118.95 118.10 1lei s ARG 227 Ca 0.06 -1.35 -0.31 0.00 -1.00 0.00 0.00 55.73 53.13 1lei s ARG 227 Cb 0.05 -4.98 -0.07 0.00 0.00 0.00 0.00 34.95 29.95 1lei s ARG 227 CO 0.01 -1.96 1.31 0.50 0.00 0.00 0.00 175.30 175.16 1lei s ARG 228 N 3.85 4.37 -0.01 5.12 3.52 -1.26 0.22 118.95 134.76 1lei s ARG 228 Ca 0.37 1.96 0.01 0.00 -0.13 0.00 0.00 55.73 57.94 1lei s ARG 228 Cb -0.04 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1lei s ARG 228 CO -0.07 -0.36 0.00 -0.51 -0.81 0.00 0.00 175.30 173.56 1lei s LEU 229 N 1.05 3.53 -0.48 -0.88 1.43 -0.15 -4.98 118.68 118.20 1lei s LEU 229 Ca 0.62 0.02 -0.45 0.00 -1.03 0.00 0.00 54.13 53.28 1lei s LEU 229 Cb -0.34 -2.00 -0.19 0.00 0.03 0.00 0.00 46.19 43.69 1lei s LEU 229 CO 0.30 0.29 1.58 1.21 0.23 0.00 0.00 176.35 179.96 1lei n GLU 230 N 1.50 0.00 -1.48 1.70 4.07 -1.26 -4.31 120.64 120.85 1lei n GLU 230 Ca -0.15 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.63 1lei n GLU 230 Cb 0.53 -1.45 0.07 0.00 -0.06 0.00 0.00 31.44 30.52 1lei n GLU 230 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1lei s PRO 231 N 3.08 2.54 -0.07 5.31 0.02 -1.26 -4.43 135.00 140.18 1lei s PRO 231 Ca 1.03 1.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.25 1lei s PRO 231 Cb -1.45 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 31.17 1lei s PRO 231 CO 0.79 -1.43 0.03 0.14 -0.33 0.00 0.00 177.00 176.19 1lei s VAL 232 N -2.71 0.16 0.39 3.83 -7.23 -0.23 -4.99 120.40 109.61 1lei s VAL 232 Ca 0.63 0.20 -0.20 0.00 -1.81 0.00 0.00 61.98 60.80 1lei s VAL 232 Cb -0.18 -0.40 -0.10 0.00 0.56 0.00 0.00 36.38 36.25 1lei s VAL 232 CO 0.50 0.17 0.89 0.68 -0.31 0.00 0.00 175.10 177.03 1lei s VAL 233 N 2.06 4.46 0.00 1.32 -7.23 -1.26 -1.75 120.40 118.00 1lei s VAL 233 Ca 0.05 1.36 0.00 0.00 -1.81 0.00 0.00 61.98 61.58 1lei s VAL 233 Cb -0.13 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.18 1lei s VAL 233 CO -0.05 -0.25 0.00 -1.54 -0.31 0.00 0.00 175.10 172.96 1lei n SER 234 N -0.47 0.00 -4.75 4.85 3.41 0.63 -4.97 113.62 112.32 1lei n SER 234 Ca 0.06 -0.90 -0.40 0.00 -0.26 0.00 0.00 58.87 57.37 1lei n SER 234 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1lei n SER 234 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1lei s ASP 235 N -1.00 7.65 0.09 4.04 -0.00 -1.26 -4.72 116.67 121.47 1lei s ASP 235 Ca 0.00 1.95 -0.33 0.00 -0.00 0.00 0.00 52.55 54.17 1lei s ASP 235 Cb 0.00 -2.61 -0.13 0.00 -0.00 0.00 0.00 42.92 40.18 1lei s ASP 235 CO 0.00 0.16 1.71 0.00 -0.00 0.00 0.00 175.17 177.03 1lei n ALA 236 N 1.51 1.44 -2.71 5.23 0.00 -1.26 -4.70 120.51 120.02 1lei n ALA 236 Ca -0.02 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.43 1lei n ALA 236 Cb 0.47 -2.44 -0.07 0.00 0.00 0.00 0.00 19.45 17.41 1lei n ALA 236 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lei s ILE 237 N 2.04 5.25 -0.14 0.00 1.01 0.11 -4.51 121.20 124.96 1lei s ILE 237 Ca 0.83 0.69 -0.03 0.00 0.00 0.00 0.00 60.65 62.14 1lei s ILE 237 Cb -0.64 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 1lei s ILE 237 CO 0.41 0.33 -0.04 -0.31 0.00 0.00 0.00 174.94 175.33 1lei s TYR 238 N 0.78 3.01 -0.04 3.97 1.51 0.12 -1.84 117.35 124.87 1lei s TYR 238 Ca 0.19 -0.25 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1lei s TYR 238 Cb -0.14 -1.92 -0.06 0.00 -0.11 0.00 0.00 41.96 39.73 1lei s TYR 238 CO 0.07 0.02 1.68 0.34 -1.11 0.00 0.00 175.55 176.55 1lei s ASP 239 N 0.17 6.65 -1.11 2.29 2.15 -0.21 -4.32 116.67 122.28 1lei s ASP 239 Ca -0.02 2.29 -0.07 0.00 0.43 0.00 0.00 52.55 55.18 1lei s ASP 239 Cb -0.14 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 39.87 1lei s ASP 239 CO 0.03 -0.93 2.48 -1.54 -0.17 0.00 0.00 175.17 175.04 1lei n SER 240 N 7.02 6.28 0.00 -0.34 3.41 0.65 -2.61 113.62 128.03 1lei n SER 240 Ca 0.17 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1lei n SER 240 Cb 0.42 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1lei n SER 240 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1lei n LYS 241 N 3.85 0.38 -2.49 4.33 4.81 -1.26 -4.56 118.16 123.22 1lei n LYS 241 Ca 0.56 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.58 1lei n LYS 241 Cb 0.21 -0.18 -0.02 0.00 0.02 0.00 0.00 35.03 35.05 1lei n LYS 241 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1lei s ALA 242 N -0.82 2.93 0.38 3.14 0.00 -1.07 -4.86 121.76 121.46 1lei s ALA 242 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1lei s ALA 242 Cb 0.00 -4.05 0.12 0.00 0.00 0.00 0.00 23.12 19.19 1lei s ALA 242 CO 0.00 -2.73 0.63 -2.30 0.00 0.00 0.00 175.76 171.36 1lei n PRO 243 N 8.48 0.02 -1.07 0.00 -0.02 -1.26 0.38 135.00 141.53 1lei n PRO 243 Ca 0.11 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1lei n PRO 243 Cb 0.49 -1.51 0.24 0.00 -0.02 0.00 0.00 33.50 32.70 1lei n PRO 243 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1lei n ASN 244 N -1.85 4.14 0.00 2.55 6.94 -1.26 -4.24 115.26 121.54 1lei n ASN 244 Ca 0.03 -3.43 0.00 0.00 -0.02 0.00 0.00 54.58 51.16 1lei n ASN 244 Cb 0.66 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 1lei n ASN 244 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1lei n ALA 245 N -0.66 0.57 -1.87 -2.53 0.00 0.16 -4.98 120.51 111.19 1lei n ALA 245 Ca 0.47 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 1lei n ALA 245 Cb 1.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.88 1lei n ALA 245 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1lei s SER 246 N 0.00 6.56 -0.02 0.00 1.04 -1.14 -4.62 113.70 115.53 1lei s SER 246 Ca 0.00 1.51 -0.30 0.00 0.48 0.00 0.00 55.95 57.64 1lei s SER 246 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 1lei s SER 246 CO 0.00 -0.62 1.28 0.54 0.98 0.00 0.00 173.24 175.42 1lei s ASN 247 N -3.25 6.98 0.50 7.02 2.20 -1.26 -4.99 114.94 122.14 1lei s ASN 247 Ca 0.58 1.96 -0.20 0.00 -0.94 0.00 0.00 52.86 54.26 1lei s ASN 247 Cb -0.10 -2.56 -0.08 0.00 -2.00 0.00 0.00 41.25 36.51 1lei s ASN 247 CO 0.35 -0.62 1.04 -0.76 -2.94 0.00 0.00 177.10 174.17 1lei s LEU 248 N 2.09 3.79 -0.29 3.54 1.43 -1.26 -4.92 118.68 123.07 1lei s LEU 248 Ca 0.59 1.92 -0.19 0.00 -1.03 0.00 0.00 54.13 55.42 1lei s LEU 248 Cb -0.28 -4.56 0.13 0.00 0.03 0.00 0.00 46.19 41.51 1lei s LEU 248 CO 0.25 -0.84 0.93 -0.75 0.23 0.00 0.00 176.35 176.17 1lei s LYS 249 N -3.36 0.48 -0.22 1.70 2.20 -1.26 -4.48 119.74 114.80 1lei s LYS 249 Ca 0.67 0.75 -0.20 0.00 -0.36 0.00 0.00 55.97 56.82 1lei s LYS 249 Cb -0.16 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.27 1lei s LYS 249 CO 0.23 -0.09 0.62 0.42 -0.36 0.00 0.00 175.35 176.17 1lei s ILE 250 N 1.07 5.01 -0.08 5.43 1.01 -1.26 -2.30 121.20 130.08 1lei s ILE 250 Ca -0.06 1.14 -0.00 0.00 0.00 0.00 0.00 60.65 61.73 1lei s ILE 250 Cb -0.04 -3.93 -0.25 0.00 0.01 0.00 0.00 42.46 38.24 1lei s ILE 250 CO -0.13 0.08 0.52 0.58 0.00 0.00 0.00 174.94 175.99 1lei h VAL 251 N 5.28 0.76 -1.03 2.92 2.07 -0.40 -3.48 116.25 122.36 1lei h VAL 251 Ca -0.29 -2.51 0.29 0.00 0.82 0.00 0.00 66.70 65.00 1lei h VAL 251 Cb 1.13 2.51 -0.25 0.00 -1.52 0.00 0.00 31.29 33.17 1lei h VAL 251 CO 0.77 0.76 0.98 0.00 0.02 0.00 0.00 177.57 180.10 1lei s ARG 252 N -2.58 0.02 0.06 1.57 1.70 -1.08 -5.01 118.95 113.64 1lei s ARG 252 Ca -0.15 -0.00 0.07 0.00 -0.47 0.00 0.00 55.73 55.18 1lei s ARG 252 Cb 0.07 0.01 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 1lei s ARG 252 CO 0.80 -0.01 -0.19 -1.64 -1.08 0.00 0.00 175.30 173.18 1lei s MET 253 N -1.45 1.14 0.44 3.89 -1.94 -1.26 -0.51 119.30 119.61 1lei s MET 253 Ca 0.11 -0.98 0.28 0.00 -1.71 0.00 0.00 55.69 53.40 1lei s MET 253 Cb -0.01 -1.27 0.97 0.00 2.01 0.00 0.00 34.83 36.53 1lei s MET 253 CO -0.06 0.31 1.82 0.38 -0.01 0.00 0.00 175.02 177.46 1lei h ASP 254 N 4.56 0.00 -3.57 3.03 2.03 -1.72 -3.43 116.42 117.32 1lei h ASP 254 Ca -0.43 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 55.67 1lei h ASP 254 Cb 1.17 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 39.38 1lei h ASP 254 CO 0.42 0.00 -0.54 -0.13 -1.03 0.00 0.00 179.24 177.96 1lei s ARG 255 N -3.43 0.16 -0.04 4.15 0.52 -1.26 -5.03 118.95 114.02 1lei s ARG 255 Ca 0.04 0.35 0.09 0.00 -0.52 0.00 0.00 55.73 55.69 1lei s ARG 255 Cb 0.08 -0.05 0.24 0.00 0.52 0.00 0.00 34.95 35.75 1lei s ARG 255 CO 0.56 -0.10 1.19 0.25 0.02 0.00 0.00 175.30 177.22 1lei n THR 256 N 3.69 1.28 -3.82 0.02 -2.24 -1.26 -4.97 114.28 106.98 1lei n THR 256 Ca -0.20 -1.26 -0.11 0.00 -2.27 0.00 0.00 64.05 60.21 1lei n THR 256 Cb 0.55 0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 1lei n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lei s ALA 257 N -1.46 -0.50 0.29 6.98 0.00 -1.26 -0.81 121.76 125.00 1lei s ALA 257 Ca 0.20 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.89 1lei s ALA 257 Cb 0.13 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.48 1lei s ALA 257 CO 0.09 -0.32 0.70 0.20 0.00 0.00 0.00 175.76 176.43 1lei s GLY 258 N -1.78 0.03 0.31 0.00 0.00 0.33 -4.94 107.32 101.26 1lei s GLY 258 Ca -0.09 -0.42 -0.27 0.00 0.00 0.00 0.00 44.72 43.94 1lei s GLY 258 CO -0.01 -0.17 0.97 0.00 0.00 0.00 0.00 173.10 173.89 1lei h VAL 260 N 2.72 0.00 -0.06 0.00 -1.51 -1.73 -0.65 116.25 115.02 1lei h VAL 260 Ca -0.47 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.92 1lei h VAL 260 Cb 1.20 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 1lei h VAL 260 CO 0.65 0.00 -0.37 0.74 -1.23 0.00 0.00 177.57 177.37 1lei h THR 261 N 0.00 1.28 -0.58 7.19 2.02 -1.91 -0.18 112.91 120.73 1lei h THR 261 Ca 0.00 -1.35 0.05 0.00 0.77 0.00 0.00 66.41 65.88 1lei h THR 261 Cb 0.18 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1lei h THR 261 CO 0.00 0.40 -0.07 0.61 0.37 0.00 0.00 175.52 176.83 1lei n GLY 262 N -0.37 -2.05 1.80 2.16 0.00 -0.25 -4.34 105.19 102.13 1lei n GLY 262 Ca -0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1lei n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lei n GLY 263 N -0.99 0.44 3.74 -0.02 0.00 0.83 -4.91 105.19 104.29 1lei n GLY 263 Ca 0.00 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1lei n GLY 263 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lei s GLU 264 N -1.83 3.96 0.23 1.61 2.02 -1.26 -4.77 118.70 118.66 1lei s GLU 264 Ca 0.00 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 1lei s GLU 264 Cb 0.00 -3.31 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 1lei s GLU 264 CO 0.00 0.41 1.24 -2.00 0.02 0.00 0.00 175.26 174.92 1lei s GLU 265 N 0.04 4.46 -0.01 1.61 2.12 -1.26 -0.26 118.70 125.39 1lei s GLU 265 Ca 0.09 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.40 1lei s GLU 265 Cb -0.11 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.10 1lei s GLU 265 CO -0.00 -0.11 0.01 0.42 -0.54 0.00 0.00 175.26 175.03 1lei s ILE 266 N -0.34 0.06 -0.26 -3.70 1.01 0.11 -4.93 121.20 113.14 1lei s ILE 266 Ca 0.52 0.08 -0.14 0.00 0.00 0.00 0.00 60.65 61.11 1lei s ILE 266 Cb -0.35 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1lei s ILE 266 CO 0.40 0.08 0.33 -0.31 0.00 0.00 0.00 174.94 175.44 1lei s TYR 267 N 0.63 3.25 -0.11 3.97 1.51 -1.26 -1.33 117.35 124.02 1lei s TYR 267 Ca -0.06 0.36 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1lei s TYR 267 Cb -0.08 -2.51 0.01 0.00 -0.11 0.00 0.00 41.96 39.26 1lei s TYR 267 CO -0.02 -0.18 -0.22 -1.17 -1.11 0.00 0.00 175.55 172.86 1lei s LEU 268 N 1.90 2.03 -0.17 -1.29 2.96 0.54 -1.68 118.68 122.96 1lei s LEU 268 Ca 0.13 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.42 1lei s LEU 268 Cb -0.16 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 1lei s LEU 268 CO 0.10 0.11 0.08 -0.76 -1.32 0.00 0.00 176.35 174.56 1lei s LEU 269 N 0.60 3.96 0.00 -0.68 1.43 0.33 -0.14 118.68 124.18 1lei s LEU 269 Ca -0.13 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1lei s LEU 269 Cb -0.17 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1lei s LEU 269 CO 0.04 0.21 0.14 0.00 0.23 0.00 0.00 176.35 176.97 1lei s ASP 271 N -2.13 4.89 -0.07 0.00 1.01 -0.97 -4.65 116.67 114.75 1lei s ASP 271 Ca 0.19 -0.02 -0.40 0.00 0.71 0.00 0.00 52.55 53.04 1lei s ASP 271 Cb 0.01 -0.67 -0.18 0.00 1.01 0.00 0.00 42.92 43.09 1lei s ASP 271 CO 0.14 -1.46 1.33 1.17 0.21 0.00 0.00 175.17 176.55 1lei n LYS 272 N -2.62 0.58 -4.10 8.23 3.00 -1.26 -4.72 118.16 117.27 1lei n LYS 272 Ca 0.10 0.21 -0.10 0.00 -0.00 0.00 0.00 58.31 58.52 1lei n LYS 272 Cb 0.60 -1.79 -0.08 0.00 0.00 0.00 0.00 35.03 33.76 1lei n LYS 272 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1lei s VAL 273 N 1.03 0.03 -0.23 3.15 -7.23 -1.02 -4.92 120.40 111.22 1lei s VAL 273 Ca 0.91 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1lei s VAL 273 Cb -1.15 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 33.58 1lei s VAL 273 CO 0.57 -0.14 -0.07 -1.10 -0.31 0.00 0.00 175.10 174.05 1lei s GLN 274 N -4.07 2.96 0.19 4.82 -0.21 -1.26 -4.68 119.66 117.40 1lei s GLN 274 Ca 0.28 -0.89 0.02 0.00 0.02 0.00 0.00 55.36 54.79 1lei s GLN 274 Cb 0.05 -2.94 0.12 0.00 1.00 0.00 0.00 33.01 31.23 1lei s GLN 274 CO 0.07 -0.34 0.77 0.36 -2.12 0.00 0.00 175.29 174.03 1lei n LYS 275 N 4.69 0.02 -0.00 2.91 2.85 -1.26 0.42 118.16 127.79 1lei n LYS 275 Ca -0.17 0.32 0.04 0.00 -1.05 0.00 0.00 58.31 57.46 1lei n LYS 275 Cb 0.48 -2.10 -0.06 0.00 -0.65 0.00 0.00 35.03 32.70 1lei n LYS 275 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1lei n ASP 276 N -1.52 1.52 -2.60 -5.58 8.00 -1.26 -4.57 116.55 110.55 1lei n ASP 276 Ca -0.00 -0.39 -0.24 0.00 0.71 0.00 0.00 54.79 54.86 1lei n ASP 276 Cb 0.54 1.19 -0.00 0.00 -0.02 0.00 0.00 41.12 42.83 1lei n ASP 276 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1lei n ASP 277 N -1.49 4.13 -3.78 -2.24 4.64 0.17 -4.97 116.55 113.01 1lei n ASP 277 Ca 0.00 -3.56 -0.12 0.00 -1.38 0.00 0.00 54.79 49.73 1lei n ASP 277 Cb 0.19 -0.49 -0.08 0.00 -1.04 0.00 0.00 41.12 39.69 1lei n ASP 277 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1lei s ILE 278 N -4.96 0.07 -0.03 5.18 1.10 -1.20 -3.03 121.20 118.33 1lei s ILE 278 Ca 0.45 -0.62 -0.29 0.00 -0.51 0.00 0.00 60.65 59.68 1lei s ILE 278 Cb 0.39 -0.75 0.07 0.00 0.15 0.00 0.00 42.46 42.31 1lei s ILE 278 CO -0.15 -0.34 0.64 0.00 -2.11 0.00 0.00 174.94 172.98 1lei s GLN 279 N -1.92 1.04 -0.28 3.50 -2.07 -0.97 -4.83 119.66 114.14 1lei s GLN 279 Ca -0.10 0.17 -0.08 0.00 -1.82 0.00 0.00 55.36 53.54 1lei s GLN 279 Cb -0.03 0.49 -0.02 0.00 -1.09 0.00 0.00 33.01 32.36 1lei s GLN 279 CO 0.00 -0.33 0.10 0.42 -1.32 0.00 0.00 175.29 174.17 1lei s ILE 280 N -1.37 4.40 -0.11 3.63 1.01 -1.26 -1.73 121.20 125.77 1lei s ILE 280 Ca -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1lei s ILE 280 Cb -0.00 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 1lei s ILE 280 CO 0.08 0.21 -0.08 -0.60 0.00 0.00 0.00 174.94 174.55 1lei s ARG 281 N 1.60 3.14 -0.10 2.79 3.52 -0.10 -0.77 118.95 129.03 1lei s ARG 281 Ca 0.05 -0.57 -0.02 0.00 -0.13 0.00 0.00 55.73 55.06 1lei s ARG 281 Cb -0.16 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.51 1lei s ARG 281 CO 0.05 0.45 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.91 1lei s PHE 282 N -0.22 3.12 0.09 5.12 0.40 0.16 -0.22 117.98 126.43 1lei s PHE 282 Ca 0.03 0.09 -0.08 0.00 -0.60 0.00 0.00 56.93 56.37 1lei s PHE 282 Cb -0.13 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 1lei s PHE 282 CO 0.03 0.35 0.16 1.52 0.70 0.00 0.00 175.22 177.98 1lei s TYR 283 N -0.58 0.22 -0.05 0.36 -0.85 0.20 -0.88 117.35 115.76 1lei s TYR 283 Ca 0.10 -0.66 -0.03 0.00 -0.52 0.00 0.00 57.07 55.95 1lei s TYR 283 Cb -0.12 -0.11 0.03 0.00 0.38 0.00 0.00 41.96 42.14 1lei s TYR 283 CO 0.02 -0.53 0.12 -2.00 -1.52 0.00 0.00 175.55 171.65 1lei s GLU 284 N -3.87 0.10 -0.78 -3.49 2.12 -0.78 -1.44 118.70 110.56 1lei s GLU 284 Ca 0.06 0.26 -0.15 0.00 0.36 0.00 0.00 54.97 55.50 1lei s GLU 284 Cb 0.05 -0.08 0.19 0.00 0.26 0.00 0.00 34.13 34.55 1lei s GLU 284 CO -0.10 -0.10 0.77 -1.21 -0.54 0.00 0.00 175.26 174.08 1lei s GLU 285 N 0.68 3.47 0.00 4.30 2.02 -1.26 -3.63 118.70 124.28 1lei s GLU 285 Ca -0.05 -2.17 0.00 0.00 0.02 0.00 0.00 54.97 52.76 1lei s GLU 285 Cb -0.07 -4.46 0.00 0.00 0.10 0.00 0.00 34.13 29.70 1lei s GLU 285 CO -0.03 -1.38 0.00 0.39 0.02 0.00 0.00 175.26 174.26 1lei n GLU 286 N 4.68 -0.46 0.04 1.61 -0.58 -1.26 -4.38 120.64 120.28 1lei n GLU 286 Ca 0.09 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.71 1lei n GLU 286 Cb 0.46 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.24 1lei n GLU 286 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1lei h GLU 287 N 0.00 -0.11 -2.02 3.49 5.08 -2.01 -3.04 114.58 115.97 1lei h GLU 287 Ca 0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1lei h GLU 287 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1lei h GLU 287 CO 0.00 0.26 -0.10 -1.71 -1.00 0.00 0.00 179.01 176.45 1lei n ASN 288 N -4.97 4.92 -2.12 1.42 4.05 -1.26 -4.79 115.26 112.51 1lei n ASN 288 Ca -0.08 -2.34 -0.03 0.00 0.45 0.00 0.00 54.58 52.58 1lei n ASN 288 Cb 0.22 -1.13 -0.03 0.00 1.23 0.00 0.00 39.78 40.07 1lei n ASN 288 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1lei n GLY 289 N 1.85 -4.49 3.51 8.20 0.00 -1.16 -4.69 105.19 108.41 1lei n GLY 289 Ca 0.13 0.81 -0.31 0.00 0.00 0.00 0.00 46.02 46.64 1lei n GLY 289 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lei n GLY 290 N 1.09 -0.44 0.28 -0.02 0.00 -1.19 -4.54 105.19 100.36 1lei n GLY 290 Ca -0.22 0.57 0.11 0.00 0.00 0.00 0.00 46.02 46.47 1lei n GLY 290 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1lei n VAL 291 N 6.70 0.00 -2.85 1.61 3.14 -1.25 -4.63 118.33 121.05 1lei n VAL 291 Ca 0.64 -0.14 -0.40 0.00 -2.96 0.00 0.00 64.34 61.48 1lei n VAL 291 Cb 0.13 1.12 -0.05 0.00 -1.06 0.00 0.00 33.84 33.97 1lei n VAL 291 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 1lei s TRP 292 N -2.71 3.81 0.05 1.45 -0.00 -1.24 -5.01 118.94 115.29 1lei s TRP 292 Ca 0.14 1.67 -0.16 0.00 -0.00 0.00 0.00 56.10 57.75 1lei s TRP 292 Cb 0.17 -2.93 0.03 0.00 -0.00 0.00 0.00 33.47 30.74 1lei s TRP 292 CO 0.70 0.28 0.37 -1.83 -0.00 0.00 0.00 176.95 176.47 1lei s GLU 293 N -0.23 0.88 0.10 5.86 -1.05 -1.26 -1.86 118.70 121.15 1lei s GLU 293 Ca 0.42 -0.42 -0.09 0.00 -0.15 0.00 0.00 54.97 54.73 1lei s GLU 293 Cb -0.22 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1lei s GLU 293 CO 0.27 -0.30 0.23 0.20 0.95 0.00 0.00 175.26 176.61 1lei s GLY 294 N -2.04 0.12 0.04 -3.83 0.00 -0.06 -4.97 107.32 96.58 1lei s GLY 294 Ca -0.05 -0.60 0.05 0.00 0.00 0.00 0.00 44.72 44.12 1lei s GLY 294 CO -0.03 -0.76 -0.16 -1.36 0.00 0.00 0.00 173.10 170.79 1lei s PHE 295 N -3.87 1.38 0.32 1.90 0.40 -1.26 0.38 117.98 117.22 1lei s PHE 295 Ca 0.07 -0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 55.76 1lei s PHE 295 Cb 0.04 -0.82 -0.10 0.00 0.51 0.00 0.00 43.02 42.65 1lei s PHE 295 CO -0.09 0.05 1.40 0.20 0.70 0.00 0.00 175.22 177.47 1lei s GLY 296 N -1.11 2.76 -0.15 4.36 0.00 0.05 -4.17 107.32 109.07 1lei s GLY 296 Ca 0.03 1.36 -0.19 0.00 0.00 0.00 0.00 44.72 45.93 1lei s GLY 296 CO 0.01 2.12 0.51 -0.35 0.00 0.00 0.00 173.10 175.39 1lei s ASP 297 N -0.13 6.66 -0.27 1.64 2.15 -0.13 -4.68 116.67 121.92 1lei s ASP 297 Ca 0.53 0.78 -0.28 0.00 0.43 0.00 0.00 52.55 54.02 1lei s ASP 297 Cb -0.42 -2.30 0.18 0.00 -0.30 0.00 0.00 42.92 40.08 1lei s ASP 297 CO 0.52 -0.08 1.30 0.72 -0.17 0.00 0.00 175.17 177.47 1lei s PHE 298 N 1.02 -0.13 0.65 -5.34 -0.71 -1.26 -1.46 117.98 110.75 1lei s PHE 298 Ca 0.26 0.25 -0.03 0.00 -1.04 0.00 0.00 56.93 56.37 1lei s PHE 298 Cb -0.15 0.48 0.06 0.00 -1.21 0.00 0.00 43.02 42.19 1lei s PHE 298 CO 0.10 -0.10 0.92 0.45 -1.34 0.00 0.00 175.22 175.26 1lei s SER 299 N -0.67 4.95 0.43 1.98 0.15 -1.26 -4.99 113.70 114.29 1lei s SER 299 Ca 0.06 0.22 0.23 0.00 0.70 0.00 0.00 55.95 57.16 1lei s SER 299 Cb -0.02 -0.94 0.88 0.00 -1.71 0.00 0.00 66.02 64.23 1lei s SER 299 CO -0.08 -1.45 1.81 -0.65 1.20 0.00 0.00 173.24 174.07 1lei h PRO 300 N -0.34 0.00 0.00 5.44 0.11 -1.99 -2.52 132.00 132.71 1lei h PRO 300 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1lei h PRO 300 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1lei h PRO 300 CO 0.56 0.24 0.00 0.25 -0.21 0.00 0.00 178.00 178.84 1lei n THR 301 N -3.41 1.18 1.60 -1.15 -2.24 -1.26 -0.92 114.28 108.09 1lei n THR 301 Ca 0.00 0.37 0.15 0.00 -2.27 0.00 0.00 64.05 62.30 1lei n THR 301 Cb 0.44 -1.26 0.66 0.00 -2.10 0.00 0.00 70.33 68.07 1lei n THR 301 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1lei n ASP 302 N -1.81 0.78 -4.49 3.42 10.43 -0.95 -4.71 116.55 119.22 1lei n ASP 302 Ca 0.02 -1.08 -0.43 0.00 2.57 0.00 0.00 54.79 55.87 1lei n ASP 302 Cb 0.13 -0.01 -0.09 0.00 1.84 0.00 0.00 41.12 42.99 1lei n ASP 302 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1lei s VAL 303 N -2.15 5.14 -0.32 2.53 1.01 -0.10 -2.45 120.40 124.06 1lei s VAL 303 Ca 0.38 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.72 1lei s VAL 303 Cb 0.21 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1lei s VAL 303 CO 0.39 -0.35 0.97 -2.28 0.00 0.00 0.00 175.10 173.84 1lei s HIS 304 N 2.01 3.17 -1.37 5.22 2.46 0.16 -4.32 115.29 122.62 1lei s HIS 304 Ca 0.10 1.05 -0.14 0.00 0.47 0.00 0.00 55.06 56.55 1lei s HIS 304 Cb -0.17 -3.52 0.14 0.00 -0.13 0.00 0.00 32.58 28.89 1lei s HIS 304 CO 0.12 -0.70 0.34 0.54 -2.47 0.00 0.00 174.74 172.58 1lei n ARG 305 N 6.63 -0.82 -0.40 2.88 5.12 -1.26 -0.45 116.66 128.36 1lei n ARG 305 Ca 0.09 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1lei n ARG 305 Cb 0.47 -3.36 0.00 0.00 -1.16 0.00 0.00 32.46 28.41 1lei n ARG 305 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1lei n GLN 306 N -3.33 0.00 0.00 5.56 6.02 -1.26 -4.73 117.38 119.63 1lei n GLN 306 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 1lei n GLN 306 Cb 0.39 -4.23 0.03 0.00 1.02 0.00 0.00 30.24 27.46 1lei n GLN 306 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1lei n PHE 307 N -2.00 0.00 -3.65 1.08 3.72 0.41 -2.42 117.46 114.60 1lei n PHE 307 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1lei n PHE 307 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 1lei n PHE 307 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lei s ALA 308 N -1.11 -1.30 -0.03 4.37 0.00 -1.06 -1.36 121.76 121.26 1lei s ALA 308 Ca 0.12 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1lei s ALA 308 Cb 0.09 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1lei s ALA 308 CO 0.18 -0.30 -0.06 0.42 0.00 0.00 0.00 175.76 176.00 1lei s ILE 309 N -0.93 0.61 -0.21 0.00 1.01 0.80 0.37 121.20 122.85 1lei s ILE 309 Ca -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 1lei s ILE 309 Cb -0.03 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.85 1lei s ILE 309 CO 0.06 0.22 -0.07 0.54 0.00 0.00 0.00 174.94 175.69 1lei s VAL 310 N 0.57 3.13 0.34 2.92 0.11 -1.03 -0.34 120.40 126.10 1lei s VAL 310 Ca -0.08 -0.58 0.05 0.00 -2.93 0.00 0.00 61.98 58.44 1lei s VAL 310 Cb -0.11 -2.41 -0.02 0.00 -1.53 0.00 0.00 36.38 32.30 1lei s VAL 310 CO 0.00 0.44 0.19 2.22 -3.33 0.00 0.00 175.10 174.63 1lei n PHE 311 N 4.76 -0.26 -4.96 1.54 1.16 -0.44 -4.85 117.46 114.41 1lei n PHE 311 Ca -0.19 -2.48 -0.32 0.00 -1.87 0.00 0.00 57.45 52.59 1lei n PHE 311 Cb 0.51 0.12 -0.15 0.00 -1.61 0.00 0.00 39.48 38.35 1lei n PHE 311 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1lei s LYS 312 N -3.34 2.99 0.49 3.97 1.02 -0.53 0.07 119.74 124.40 1lei s LYS 312 Ca 0.27 -0.76 -0.24 0.00 0.02 0.00 0.00 55.97 55.26 1lei s LYS 312 Cb 0.01 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.82 1lei s LYS 312 CO 0.19 0.33 1.41 0.25 -0.92 0.00 0.00 175.35 176.61 1lei n THR 313 N 3.16 3.20 -3.08 2.17 -2.24 0.64 -0.95 114.28 117.18 1lei n THR 313 Ca -0.18 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.75 1lei n THR 313 Cb 0.52 -1.78 -0.06 0.00 -2.10 0.00 0.00 70.33 66.91 1lei n THR 313 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1lei s PRO 314 N -2.62 4.19 0.25 -0.78 0.04 -1.26 -0.12 135.00 134.71 1lei s PRO 314 Ca 0.65 0.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.22 1lei s PRO 314 Cb -0.44 -2.70 -0.12 0.00 0.04 0.00 0.00 34.50 31.29 1lei s PRO 314 CO 0.54 0.29 1.67 0.21 0.04 0.00 0.00 177.00 179.76 1lei s LYS 315 N -2.36 4.11 0.76 4.56 2.20 -1.26 -4.52 119.74 123.23 1lei s LYS 315 Ca 0.48 2.61 -0.11 0.00 -0.36 0.00 0.00 55.97 58.59 1lei s LYS 315 Cb -0.14 -3.05 0.05 0.00 -1.51 0.00 0.00 37.83 33.18 1lei s LYS 315 CO 0.20 -0.71 1.09 -0.47 -0.36 0.00 0.00 175.35 175.09 1lei s TYR 316 N 0.64 2.66 0.17 4.03 5.04 -0.08 -4.96 117.35 124.84 1lei s TYR 316 Ca 0.70 1.54 -0.14 0.00 -2.44 0.00 0.00 57.07 56.73 1lei s TYR 316 Cb -0.49 -3.03 0.12 0.00 0.35 0.00 0.00 41.96 38.91 1lei s TYR 316 CO 0.40 -1.71 1.77 1.57 -1.34 0.00 0.00 175.55 176.23 1lei h LYS 317 N -1.01 0.40 -4.48 4.97 2.10 -1.93 -3.36 116.57 113.26 1lei h LYS 317 Ca -0.44 -0.02 -0.68 0.00 -2.00 0.00 0.00 60.65 57.51 1lei h LYS 317 Cb 1.23 -0.09 -0.37 0.00 -0.90 0.00 0.00 32.23 32.10 1lei h LYS 317 CO 0.52 0.26 -0.60 0.34 -2.00 0.00 0.00 179.45 177.98 1lei s ASP 318 N -5.44 5.07 -0.00 7.07 2.15 -1.26 -4.93 116.67 119.32 1lei s ASP 318 Ca -0.13 -2.14 0.00 0.00 0.43 0.00 0.00 52.55 50.71 1lei s ASP 318 Cb 0.13 -1.76 0.01 0.00 -0.30 0.00 0.00 42.92 41.00 1lei s ASP 318 CO 0.73 -0.47 0.53 1.33 -0.17 0.00 0.00 175.17 177.11 1lei n VAL 319 N 4.39 0.03 -0.03 1.11 0.24 -1.26 -3.08 118.33 119.73 1lei n VAL 319 Ca 0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1lei n VAL 319 Cb 0.41 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1lei n VAL 319 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1lei n ASN 320 N -0.00 1.24 -4.63 -1.34 5.03 -1.26 -4.76 115.26 109.54 1lei n ASN 320 Ca 0.00 -1.27 -0.34 0.00 0.87 0.00 0.00 54.58 53.84 1lei n ASN 320 Cb 0.26 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 39.13 1lei n ASN 320 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1lei n ILE 321 N -0.14 1.95 0.25 2.41 -5.35 -1.18 -4.94 119.36 112.37 1lei n ILE 321 Ca 0.00 -0.26 0.03 0.00 -0.27 0.00 0.00 62.75 62.25 1lei n ILE 321 Cb 0.08 -1.07 -0.03 0.00 -1.74 0.00 0.00 39.64 36.87 1lei n ILE 321 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1lei n THR 322 N -3.08 0.00 -4.37 7.28 -2.24 -1.26 -4.63 114.28 105.98 1lei n THR 322 Ca 0.12 -0.36 -0.21 0.00 -2.27 0.00 0.00 64.05 61.34 1lei n THR 322 Cb 0.50 0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 1lei n THR 322 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1lei s LYS 323 N -1.55 0.98 0.55 -0.78 2.36 -1.26 -4.88 119.74 115.16 1lei s LYS 323 Ca 0.02 -0.82 -0.19 0.00 -2.55 0.00 0.00 55.97 52.43 1lei s LYS 323 Cb 0.04 -1.02 -0.08 0.00 -1.05 0.00 0.00 37.83 35.72 1lei s LYS 323 CO 0.23 0.25 0.69 -2.30 1.55 0.00 0.00 175.35 175.77 1lei n PRO 324 N 1.80 0.71 -4.03 4.03 -0.02 -1.26 -4.74 135.00 131.49 1lei n PRO 324 Ca -0.18 0.27 -0.31 0.00 -2.02 0.00 0.00 63.50 61.25 1lei n PRO 324 Cb 0.54 -1.84 -0.15 0.00 -0.02 0.00 0.00 33.50 32.03 1lei n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lei s ALA 325 N -1.59 2.32 0.08 3.55 0.00 0.19 -4.96 121.76 121.36 1lei s ALA 325 Ca 0.69 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 1lei s ALA 325 Cb -0.47 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 1lei s ALA 325 CO 0.53 -1.11 0.91 0.45 0.00 0.00 0.00 175.76 176.53 1lei s SER 326 N 1.23 7.41 0.05 0.00 0.15 -1.26 -0.83 113.70 120.44 1lei s SER 326 Ca -0.07 1.68 0.01 0.00 0.70 0.00 0.00 55.95 58.28 1lei s SER 326 Cb -0.19 -2.55 -0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1lei s SER 326 CO -0.06 -0.07 0.05 1.33 1.20 0.00 0.00 173.24 175.70 1lei n VAL 327 N 2.92 0.00 -4.61 4.45 0.24 0.70 -4.97 118.33 117.06 1lei n VAL 327 Ca 0.01 -0.37 -0.27 0.00 -2.04 0.00 0.00 64.34 61.68 1lei n VAL 327 Cb 0.50 0.19 -0.14 0.00 -1.47 0.00 0.00 33.84 32.92 1lei n VAL 327 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1lei s PHE 328 N -2.78 1.96 -0.03 6.34 0.08 -0.52 0.34 117.98 123.38 1lei s PHE 328 Ca 0.06 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.79 1lei s PHE 328 Cb 0.00 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.29 1lei s PHE 328 CO 0.04 0.14 -0.23 0.08 -0.10 0.00 0.00 175.22 175.16 1lei s VAL 329 N -0.89 2.34 0.01 -0.44 1.01 0.88 0.59 120.40 123.90 1lei s VAL 329 Ca 0.09 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 1lei s VAL 329 Cb -0.09 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1lei s VAL 329 CO 0.03 0.58 0.33 0.00 0.00 0.00 0.00 175.10 176.04 1lei s GLN 330 N -0.66 0.76 -0.01 2.72 -2.07 0.70 0.17 119.66 121.26 1lei s GLN 330 Ca 0.10 -0.31 -0.23 0.00 -1.82 0.00 0.00 55.36 53.10 1lei s GLN 330 Cb -0.10 0.34 -0.05 0.00 -1.09 0.00 0.00 33.01 32.11 1lei s GLN 330 CO -0.00 -0.23 0.70 -0.51 -1.32 0.00 0.00 175.29 173.93 1lei s LEU 331 N -1.66 4.39 -0.05 2.60 2.01 -1.26 -0.92 118.68 123.78 1lei s LEU 331 Ca -0.09 1.28 0.00 0.00 0.01 0.00 0.00 54.13 55.32 1lei s LEU 331 Cb -0.03 -3.10 0.03 0.00 0.01 0.00 0.00 46.19 43.09 1lei s LEU 331 CO 0.01 -0.02 -0.01 -0.60 1.01 0.00 0.00 176.35 176.73 1lei s ARG 332 N 0.28 0.57 -0.05 1.70 3.52 -0.71 -0.79 118.95 123.47 1lei s ARG 332 Ca 0.37 0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.69 1lei s ARG 332 Cb -0.19 -0.75 -0.04 0.00 -1.56 0.00 0.00 34.95 32.41 1lei s ARG 332 CO 0.20 -0.17 1.32 0.50 -0.81 0.00 0.00 175.30 176.34 1lei s ARG 333 N 1.28 4.29 0.25 5.12 3.52 0.46 -2.30 118.95 131.58 1lei s ARG 333 Ca -0.06 1.82 0.22 0.00 -0.13 0.00 0.00 55.73 57.59 1lei s ARG 333 Cb -0.13 -3.63 0.97 0.00 -1.56 0.00 0.00 34.95 30.60 1lei s ARG 333 CO -0.02 -0.57 1.67 1.17 -0.81 0.00 0.00 175.30 176.74 1lei n LYS 334 N 5.63 0.17 -0.03 5.12 4.81 -1.17 -1.22 118.16 131.47 1lei n LYS 334 Ca 0.13 0.45 -0.01 0.00 -0.87 0.00 0.00 58.31 58.01 1lei n LYS 334 Cb 0.45 -1.85 -0.00 0.00 0.02 0.00 0.00 35.03 33.64 1lei n LYS 334 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1lei h SER 335 N 0.00 0.00 -0.61 3.14 4.64 -1.90 -3.39 113.55 115.43 1lei h SER 335 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lei h SER 335 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1lei h SER 335 CO 0.00 0.26 0.00 -0.90 -0.87 0.00 0.00 176.83 175.32 1lei n ASP 336 N -3.30 5.12 -3.86 4.97 3.85 -1.25 -4.93 116.55 117.15 1lei n ASP 336 Ca -0.01 -2.65 -0.29 0.00 -0.71 0.00 0.00 54.79 51.14 1lei n ASP 336 Cb 0.03 -0.63 -0.05 0.00 -1.35 0.00 0.00 41.12 39.13 1lei n ASP 336 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1lei n LEU 337 N 0.90 -0.72 -4.83 -2.12 4.77 -0.36 -4.90 117.00 109.74 1lei n LEU 337 Ca 0.26 -0.67 -0.37 0.00 -0.03 0.00 0.00 56.01 55.20 1lei n LEU 337 Cb 1.01 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 1lei n LEU 337 CO 0.27 0.09 0.19 -0.70 -1.33 0.00 0.00 177.39 175.91 1lei s GLU 338 N -6.50 4.01 0.49 3.23 2.56 -1.23 -4.82 118.70 116.44 1lei s GLU 338 Ca 0.56 0.51 0.04 0.00 0.00 0.00 0.00 54.97 56.08 1lei s GLU 338 Cb -0.32 -3.13 -0.02 0.00 2.00 0.00 0.00 34.13 32.65 1lei s GLU 338 CO 0.69 0.61 0.10 0.95 -0.56 0.00 0.00 175.26 177.05 1lei s THR 339 N -1.21 1.53 0.40 -1.70 -4.23 -1.26 -0.40 115.64 108.76 1lei s THR 339 Ca 0.30 -1.87 0.08 0.00 -1.18 0.00 0.00 61.69 59.02 1lei s THR 339 Cb -0.17 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1lei s THR 339 CO 0.17 0.00 0.30 -0.94 -0.54 0.00 0.00 174.62 173.61 1lei s SER 340 N -3.93 4.91 -0.08 3.99 1.04 0.03 -4.64 113.70 115.02 1lei s SER 340 Ca 0.20 -0.78 -0.36 0.00 0.48 0.00 0.00 55.95 55.49 1lei s SER 340 Cb 0.02 -0.63 -0.14 0.00 0.10 0.00 0.00 66.02 65.38 1lei s SER 340 CO 0.11 -0.55 1.73 1.21 0.98 0.00 0.00 173.24 176.73 1lei n GLU 341 N -1.41 1.79 -1.73 4.02 4.07 -1.26 -4.60 120.64 121.52 1lei n GLU 341 Ca 0.01 0.65 -0.41 0.00 -0.06 0.00 0.00 57.16 57.35 1lei n GLU 341 Cb 0.62 -2.42 0.01 0.00 -0.06 0.00 0.00 31.44 29.59 1lei n GLU 341 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1lei n PRO 342 N 5.29 2.17 -5.15 5.31 -0.04 -1.26 -4.81 135.00 136.51 1lei n PRO 342 Ca 0.22 0.77 -0.32 0.00 -0.04 0.00 0.00 63.50 64.13 1lei n PRO 342 Cb 0.24 -2.48 -0.16 0.00 -0.04 0.00 0.00 33.50 31.06 1lei n PRO 342 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1lei s LYS 343 N -2.17 2.70 0.14 0.54 2.20 0.46 -4.89 119.74 118.72 1lei s LYS 343 Ca 0.58 -0.85 -0.31 0.00 -0.36 0.00 0.00 55.97 55.04 1lei s LYS 343 Cb -0.50 -2.26 -0.08 0.00 -1.51 0.00 0.00 37.83 33.47 1lei s LYS 343 CO 0.60 0.37 1.39 -1.25 -0.36 0.00 0.00 175.35 176.10 1lei s PRO 344 N -0.12 4.32 -0.04 4.03 0.04 -1.26 0.30 135.00 142.26 1lei s PRO 344 Ca -0.04 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.11 1lei s PRO 344 Cb -0.14 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.20 1lei s PRO 344 CO 0.04 -0.41 -0.04 0.12 0.04 0.00 0.00 177.00 176.75 1lei s PHE 345 N 0.82 0.70 -0.16 0.56 2.19 0.15 -4.82 117.98 117.42 1lei s PHE 345 Ca 0.63 -0.18 -0.11 0.00 0.33 0.00 0.00 56.93 57.59 1lei s PHE 345 Cb -0.38 -0.65 -0.05 0.00 -1.31 0.00 0.00 43.02 40.64 1lei s PHE 345 CO 0.33 -0.19 0.21 -1.17 1.83 0.00 0.00 175.22 176.23 1lei s LEU 346 N 0.98 4.26 -0.21 6.12 2.96 0.01 -0.21 118.68 132.58 1lei s LEU 346 Ca -0.10 0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 54.15 1lei s LEU 346 Cb -0.14 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 1lei s LEU 346 CO -0.00 0.18 0.05 -0.31 -1.32 0.00 0.00 176.35 174.95 1lei s TYR 347 N 0.16 3.12 0.12 5.38 4.12 -0.01 -0.51 117.35 129.73 1lei s TYR 347 Ca 0.13 -0.25 0.10 0.00 0.02 0.00 0.00 57.07 57.08 1lei s TYR 347 Cb -0.12 -2.14 -0.04 0.00 -1.52 0.00 0.00 41.96 38.14 1lei s TYR 347 CO 0.02 -0.14 -0.23 1.52 0.02 0.00 0.00 175.55 176.73 1lei s TYR 348 N 1.00 2.40 0.43 2.71 1.13 -0.42 0.57 117.35 125.18 1lei s TYR 348 Ca 0.03 -0.34 -0.22 0.00 -1.41 0.00 0.00 57.07 55.14 1lei s TYR 348 Cb -0.14 -1.30 -0.12 0.00 -1.10 0.00 0.00 41.96 39.30 1lei s TYR 348 CO 0.03 0.34 0.54 -2.30 -2.51 0.00 0.00 175.55 171.65 1lei n PRO 349 N 0.93 0.58 0.00 -3.49 -0.02 -1.26 -2.14 135.00 129.60 1lei n PRO 349 Ca -0.17 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 61.66 1lei n PRO 349 Cb 0.53 -1.53 0.81 0.00 -0.02 0.00 0.00 33.50 33.29 1lei n PRO 349 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63