#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jul s ARG 3 N 0.00 1.24 -0.32 -0.52 0.52 -0.37 -4.77 118.95 114.73 1jul s ARG 3 Ca 0.00 -0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.85 1jul s ARG 3 Cb 0.00 -1.88 0.01 0.00 0.52 0.00 0.00 34.95 33.60 1jul s ARG 3 CO 0.00 -2.06 1.14 -0.47 0.02 0.00 0.00 175.30 173.93 1jul s TYR 4 N -3.64 2.99 0.45 -0.53 5.04 -1.26 -4.99 117.35 115.41 1jul s TYR 4 Ca 0.67 1.06 0.05 0.00 -2.44 0.00 0.00 57.07 56.42 1jul s TYR 4 Cb -0.09 -3.81 -0.05 0.00 0.35 0.00 0.00 41.96 38.37 1jul s TYR 4 CO 0.51 -1.08 0.07 -0.51 -1.34 0.00 0.00 175.55 173.20 1jul s LEU 5 N 3.91 2.74 0.17 6.97 1.43 -1.26 -5.11 118.68 127.53 1jul s LEU 5 Ca 0.49 -1.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1jul s LEU 5 Cb -0.13 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1jul s LEU 5 CO 0.19 -0.63 0.12 -1.59 0.23 0.00 0.00 176.35 174.67 1jul s LYS 6 N -3.83 1.10 4.07 1.70 -2.85 -1.26 -4.76 119.74 113.91 1jul s LYS 6 Ca 0.27 -1.53 0.00 0.00 -1.00 0.00 0.00 55.97 53.71 1jul s LYS 6 Cb 0.06 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1jul s LYS 6 CO 0.15 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.66 1jul n GLY 7 N -0.20 1.08 0.25 0.59 0.00 -1.26 -2.58 105.19 103.07 1jul n GLY 7 Ca -0.01 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.48 1jul n GLY 7 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1jul h TRP 8 N 0.00 0.00 -0.63 1.61 5.08 -1.97 -2.27 115.95 117.77 1jul h TRP 8 Ca 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.89 1jul h TRP 8 Cb 0.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 1jul h TRP 8 CO 0.00 0.10 0.09 -0.07 -1.28 0.00 0.00 178.44 177.28 1jul h LEU 9 N 0.00 1.00 -0.53 0.11 3.38 -1.91 -0.17 115.31 117.19 1jul h LEU 9 Ca -0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1jul h LEU 9 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1jul h LEU 9 CO 0.01 1.01 0.22 0.50 0.09 0.00 0.00 178.44 180.27 1jul h LYS 10 N 0.98 0.79 -0.04 1.13 3.64 -1.14 -1.93 116.57 120.00 1jul h LYS 10 Ca 0.19 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1jul h LYS 10 Cb 0.44 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1jul h LYS 10 CO 0.01 0.68 0.01 0.22 -2.27 0.00 0.00 179.45 178.11 1jul h ASP 11 N 0.72 0.06 -0.05 4.20 3.58 -1.22 -2.10 116.42 121.60 1jul h ASP 11 Ca 0.18 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 1jul h ASP 11 Cb 0.18 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1jul h ASP 11 CO -0.02 0.23 -0.07 1.62 -2.88 0.00 0.00 179.24 178.12 1jul h VAL 12 N -0.12 1.17 -0.36 2.25 3.04 -0.97 -0.69 116.25 120.57 1jul h VAL 12 Ca 0.01 -0.70 -0.15 0.00 -1.01 0.00 0.00 66.70 64.86 1jul h VAL 12 Cb 0.19 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 1jul h VAL 12 CO -0.00 0.23 -0.35 0.58 -1.01 0.00 0.00 177.57 177.01 1jul h VAL 13 N 0.29 1.28 -0.55 1.51 2.07 -1.26 -1.34 116.25 118.24 1jul h VAL 13 Ca 0.06 -1.52 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 1jul h VAL 13 Cb 0.32 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1jul h VAL 13 CO 0.01 0.50 0.01 1.56 0.02 0.00 0.00 177.57 179.68 1jul h GLN 14 N 0.67 0.94 -0.94 1.57 4.20 -0.89 -0.98 115.11 119.68 1jul h GLN 14 Ca 0.06 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.51 1jul h GLN 14 Cb 0.94 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.57 1jul h GLN 14 CO 0.09 0.93 0.62 -0.07 -0.67 0.00 0.00 178.83 179.73 1jul h LEU 15 N 0.87 1.07 -0.52 1.46 3.38 -0.90 -2.60 115.31 118.06 1jul h LEU 15 Ca 0.16 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1jul h LEU 15 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1jul h LEU 15 CO 0.02 0.77 -0.60 0.28 0.09 0.00 0.00 178.44 179.01 1jul h SER 16 N 1.26 0.53 -0.78 -0.43 0.02 -0.81 -2.72 113.55 110.61 1jul h SER 16 Ca 0.35 -0.30 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1jul h SER 16 Cb -0.13 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 1jul h SER 16 CO -0.08 1.00 0.51 -0.07 -1.14 0.00 0.00 176.83 177.05 1jul h LEU 17 N 0.35 0.86 -2.49 5.07 3.38 -0.81 -2.28 115.31 119.38 1jul h LEU 17 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jul h LEU 17 Cb 1.14 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1jul h LEU 17 CO 0.11 0.61 0.00 -2.11 0.09 0.00 0.00 178.44 177.14 1jul n ARG 18 N -4.43 2.74 -2.22 1.13 1.85 -1.09 -4.95 116.66 109.70 1jul n ARG 18 Ca 0.09 -2.39 -0.42 0.00 -1.00 0.00 0.00 57.85 54.13 1jul n ARG 18 Cb 0.07 -1.59 -0.03 0.00 -1.05 0.00 0.00 32.46 29.86 1jul n ARG 18 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1jul s ARG 19 N -1.31 4.25 0.57 2.89 3.52 -0.86 -5.00 118.95 123.02 1jul s ARG 19 Ca 0.44 1.95 -0.19 0.00 -0.13 0.00 0.00 55.73 57.80 1jul s ARG 19 Cb 0.24 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 1jul s ARG 19 CO 0.28 -0.66 1.14 -2.14 -0.81 0.00 0.00 175.30 173.11 1jul s PRO 20 N 2.96 3.20 0.52 5.12 0.02 -1.26 -4.99 135.00 140.57 1jul s PRO 20 Ca 0.64 1.61 -0.09 0.00 0.02 0.00 0.00 61.00 63.18 1jul s PRO 20 Cb -0.30 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 1jul s PRO 20 CO 0.25 -0.97 0.89 -1.54 -0.33 0.00 0.00 177.00 175.29 1jul s SER 21 N -1.88 6.31 -0.16 2.53 1.04 -1.26 -5.06 113.70 115.21 1jul s SER 21 Ca 0.72 1.17 -0.08 0.00 0.48 0.00 0.00 55.95 58.25 1jul s SER 21 Cb -0.24 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 1jul s SER 21 CO 0.30 -0.66 0.11 0.12 0.98 0.00 0.00 173.24 174.09 1jul s PHE 22 N -2.85 3.43 -0.53 5.02 5.36 -1.26 -5.06 117.98 122.10 1jul s PHE 22 Ca 0.51 0.35 -0.23 0.00 -0.96 0.00 0.00 56.93 56.60 1jul s PHE 22 Cb -0.11 -2.04 0.04 0.00 -0.34 0.00 0.00 43.02 40.57 1jul s PHE 22 CO 0.46 0.44 0.87 0.50 -1.46 0.00 0.00 175.22 176.02 1jul s ARG 23 N -0.21 3.32 0.17 10.12 3.52 -1.26 -4.87 118.95 129.73 1jul s ARG 23 Ca 0.10 -0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 55.18 1jul s ARG 23 Cb -0.12 -4.04 0.05 0.00 -1.56 0.00 0.00 34.95 29.28 1jul s ARG 23 CO 0.01 -1.38 0.54 0.00 -0.81 0.00 0.00 175.30 173.65 1jul s ALA 24 N 3.65 -1.24 -0.04 6.12 0.00 -1.26 -5.12 121.76 123.87 1jul s ALA 24 Ca 0.28 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.42 1jul s ALA 24 Cb -0.13 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1jul s ALA 24 CO 0.19 -0.77 -0.22 0.45 0.00 0.00 0.00 175.76 175.41 1jul s SER 25 N -2.81 2.71 0.13 0.00 0.15 -1.24 -4.79 113.70 107.85 1jul s SER 25 Ca 0.04 -0.44 -0.31 0.00 0.70 0.00 0.00 55.95 55.94 1jul s SER 25 Cb -0.01 -0.57 -0.09 0.00 -1.71 0.00 0.00 66.02 63.65 1jul s SER 25 CO -0.09 0.24 1.53 -0.60 1.20 0.00 0.00 173.24 175.52 1jul s ARG 26 N -0.27 4.24 0.00 5.44 3.52 -1.18 -4.84 118.95 125.86 1jul s ARG 26 Ca 0.01 2.27 0.11 0.00 -0.13 0.00 0.00 55.73 58.00 1jul s ARG 26 Cb -0.11 -3.26 0.08 0.00 -1.56 0.00 0.00 34.95 30.10 1jul s ARG 26 CO 0.01 -0.58 0.84 0.00 -0.81 0.00 0.00 175.30 174.76 1jul n GLN 27 N 4.28 0.70 -4.16 5.12 -0.00 -1.26 -5.02 117.38 117.04 1jul n GLN 27 Ca 0.14 -1.13 -0.10 0.00 -0.00 0.00 0.00 57.00 55.90 1jul n GLN 27 Cb 0.40 -1.21 -0.10 0.00 -0.00 0.00 0.00 30.24 29.33 1jul n GLN 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 1jul s ARG 28 N -0.99 0.82 0.74 2.61 1.70 -1.26 -5.12 118.95 117.45 1jul s ARG 28 Ca 0.13 -1.34 -0.09 0.00 -0.47 0.00 0.00 55.73 53.96 1jul s ARG 28 Cb 0.09 -0.08 0.06 0.00 -0.57 0.00 0.00 34.95 34.45 1jul s ARG 28 CO 0.15 -0.07 1.08 -1.25 -1.08 0.00 0.00 175.30 174.13 1jul s PRO 29 N -3.88 2.23 -0.13 3.89 0.04 -1.26 -5.01 135.00 130.88 1jul s PRO 29 Ca 0.13 -0.01 -0.29 0.00 0.04 0.00 0.00 61.00 60.86 1jul s PRO 29 Cb 0.06 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1jul s PRO 29 CO -0.05 -1.32 1.04 0.42 0.04 0.00 0.00 177.00 177.14 1jul s ILE 30 N -3.37 4.68 -0.40 0.56 -1.09 -1.26 -4.98 121.20 115.35 1jul s ILE 30 Ca 0.60 1.98 -0.06 0.00 -2.23 0.00 0.00 60.65 60.94 1jul s ILE 30 Cb -0.11 -4.27 0.09 0.00 -1.58 0.00 0.00 42.46 36.59 1jul s ILE 30 CO 0.47 -0.05 0.20 -0.63 -1.23 0.00 0.00 174.94 173.71 1jul s ILE 31 N 2.39 3.70 0.09 2.92 1.01 -1.26 -5.06 121.20 124.98 1jul s ILE 31 Ca 0.48 -1.64 -0.32 0.00 0.00 0.00 0.00 60.65 59.17 1jul s ILE 31 Cb -0.18 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 38.84 1jul s ILE 31 CO 0.15 -0.52 1.83 -0.24 0.00 0.00 0.00 174.94 176.16 1jul n SER 32 N 4.76 3.87 -0.01 3.58 2.88 -1.26 -4.38 113.62 123.05 1jul n SER 32 Ca -0.08 0.99 -0.16 0.00 -1.33 0.00 0.00 58.87 58.29 1jul n SER 32 Cb 0.42 -1.51 -0.11 0.00 -0.75 0.00 0.00 64.21 62.26 1jul n SER 32 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1jul h LEU 33 N 8.49 0.36 -1.19 2.46 5.85 -1.93 -2.43 115.31 126.92 1jul h LEU 33 Ca -0.47 -0.78 -0.05 0.00 0.84 0.00 0.00 57.88 57.42 1jul h LEU 33 Cb 1.23 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1jul h LEU 33 CO 0.94 1.09 -0.00 -0.55 -0.34 0.00 0.00 178.44 179.58 1jul h ASN 34 N -0.33 0.52 -0.37 1.25 -0.00 -1.91 -1.16 115.58 113.57 1jul h ASN 34 Ca -0.05 -0.10 -0.16 0.00 -0.00 0.00 0.00 56.30 55.99 1jul h ASN 34 Cb 1.15 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 39.33 1jul h ASN 34 CO 0.08 0.59 -0.37 -0.33 -0.00 0.00 0.00 177.43 177.40 1jul h GLU 35 N 0.53 0.93 -0.02 4.14 5.08 -1.97 -2.36 114.58 120.91 1jul h GLU 35 Ca 0.11 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 1jul h GLU 35 Cb 0.34 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1jul h GLU 35 CO 0.01 1.13 -0.40 -0.09 -1.00 0.00 0.00 179.01 178.66 1jul h ARG 36 N 0.76 0.04 -0.49 2.33 2.43 -1.03 -1.40 114.38 117.02 1jul h ARG 36 Ca 0.07 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1jul h ARG 36 Cb 0.96 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 1jul h ARG 36 CO 0.09 0.44 0.05 0.82 -1.51 0.00 0.00 179.97 179.86 1jul h ILE 37 N 0.03 1.25 -0.53 1.20 2.04 -0.98 -0.51 117.51 120.02 1jul h ILE 37 Ca 0.00 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.84 1jul h ILE 37 Cb 0.73 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1jul h ILE 37 CO 0.05 0.35 0.15 -0.07 0.00 0.00 0.00 178.15 178.63 1jul h LEU 38 N 0.70 0.74 -0.04 1.44 3.38 -0.97 -0.60 115.31 119.96 1jul h LEU 38 Ca 0.15 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jul h LEU 38 Cb 0.44 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1jul h LEU 38 CO 0.02 0.72 0.02 -0.08 0.09 0.00 0.00 178.44 179.21 1jul h GLU 39 N 0.78 0.06 -0.84 1.13 4.81 -0.76 -1.56 114.58 118.21 1jul h GLU 39 Ca 0.18 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1jul h GLU 39 Cb 0.26 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1jul h GLU 39 CO -0.01 0.11 0.52 0.74 -0.73 0.00 0.00 179.01 179.65 1jul h PHE 40 N -0.01 1.09 -0.61 0.92 -1.00 -0.70 -2.07 116.94 114.56 1jul h PHE 40 Ca 0.02 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.83 1jul h PHE 40 Cb 0.07 -0.36 -0.04 0.00 3.61 0.00 0.00 35.95 39.23 1jul h PHE 40 CO -0.05 0.72 0.36 -0.91 -1.61 0.00 0.00 178.31 176.82 1jul h ASN 41 N 1.14 0.58 0.78 2.17 2.35 -0.80 0.34 115.58 122.13 1jul h ASN 41 Ca 0.30 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1jul h ASN 41 Cb -0.07 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1jul h ASN 41 CO -0.06 0.40 -0.37 0.07 -1.65 0.00 0.00 177.43 175.82 1jul h LYS 42 N 0.71 0.00 -0.00 0.81 2.10 -0.94 -1.76 116.57 117.49 1jul h LYS 42 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1jul h LYS 42 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1jul h LYS 42 CO -0.12 0.37 -0.29 0.54 -2.00 0.00 0.00 179.45 177.95 1jul n ARG 43 N -3.58 0.05 -3.26 0.07 1.74 -0.81 -4.94 116.66 105.94 1jul n ARG 43 Ca -0.00 -0.02 -0.17 0.00 -0.77 0.00 0.00 57.85 56.89 1jul n ARG 43 Cb 0.49 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.49 1jul n ARG 43 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1jul n ASN 44 N -1.45 -4.40 -4.52 0.55 4.05 0.96 -5.01 115.26 105.43 1jul n ASN 44 Ca 0.07 -0.42 -0.34 0.00 0.45 0.00 0.00 54.58 54.34 1jul n ASN 44 Cb 0.33 -3.92 -0.12 0.00 1.23 0.00 0.00 39.78 37.30 1jul n ASN 44 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1jul s ILE 45 N -3.25 4.04 0.13 -1.44 -1.09 0.10 -5.01 121.20 114.68 1jul s ILE 45 Ca 0.32 -0.30 -0.32 0.00 -2.23 0.00 0.00 60.65 58.12 1jul s ILE 45 Cb -0.14 -2.78 -0.11 0.00 -1.58 0.00 0.00 42.46 37.84 1jul s ILE 45 CO 0.55 0.48 1.81 0.41 -1.23 0.00 0.00 174.94 176.96 1jul n THR 46 N 3.59 0.30 -3.37 2.92 -1.04 -1.26 -4.29 114.28 111.12 1jul n THR 46 Ca -0.17 -0.05 -0.44 0.00 -2.04 0.00 0.00 64.05 61.35 1jul n THR 46 Cb 0.52 -2.05 -0.08 0.00 -1.82 0.00 0.00 70.33 66.90 1jul n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jul s ALA 47 N 2.45 3.49 -0.16 2.41 0.00 -1.26 -4.86 121.76 123.82 1jul s ALA 47 Ca 0.81 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1jul s ALA 47 Cb -0.51 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1jul s ALA 47 CO 0.37 -1.67 -0.08 0.42 0.00 0.00 0.00 175.76 174.81 1jul s ILE 48 N 1.87 3.35 -0.39 0.00 1.01 -1.26 -1.42 121.20 124.36 1jul s ILE 48 Ca 0.07 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 1jul s ILE 48 Cb -0.21 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.81 1jul s ILE 48 CO 0.09 0.49 0.45 -0.63 0.00 0.00 0.00 174.94 175.34 1jul s ILE 49 N 0.70 5.08 -0.02 2.92 1.01 0.13 -1.40 121.20 129.62 1jul s ILE 49 Ca -0.04 -0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 1jul s ILE 49 Cb -0.15 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1jul s ILE 49 CO 0.02 -0.30 0.81 0.00 0.00 0.00 0.00 174.94 175.46 1jul s ALA 50 N 2.20 3.28 -0.14 9.38 0.00 -0.41 -1.47 121.76 134.61 1jul s ALA 50 Ca 0.14 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 1jul s ALA 50 Cb -0.16 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1jul s ALA 50 CO 0.13 -0.10 0.01 -2.00 0.00 0.00 0.00 175.76 173.80 1jul s GLU 51 N 0.66 3.50 -0.24 0.00 2.12 -0.24 -0.70 118.70 123.80 1jul s GLU 51 Ca 0.42 -0.41 -0.07 0.00 0.36 0.00 0.00 54.97 55.28 1jul s GLU 51 Cb -0.19 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1jul s GLU 51 CO 0.23 0.44 0.05 -0.47 -0.54 0.00 0.00 175.26 174.97 1jul s TYR 52 N -0.15 3.07 -0.24 5.30 5.04 -0.03 -4.60 117.35 125.73 1jul s TYR 52 Ca 0.05 -0.49 -0.10 0.00 -2.44 0.00 0.00 57.07 54.10 1jul s TYR 52 Cb -0.12 -2.21 0.10 0.00 0.35 0.00 0.00 41.96 40.08 1jul s TYR 52 CO 0.02 -0.37 0.54 -1.59 -1.34 0.00 0.00 175.55 172.81 1jul s LYS 53 N 1.53 0.48 0.34 4.97 -2.85 -1.26 -2.80 119.74 120.14 1jul s LYS 53 Ca 0.06 1.19 0.18 0.00 -1.00 0.00 0.00 55.97 56.40 1jul s LYS 53 Cb -0.15 0.46 0.31 0.00 -2.06 0.00 0.00 37.83 36.39 1jul s LYS 53 CO 0.03 -0.21 1.56 0.00 0.10 0.00 0.00 175.35 176.83 1jul h ARG 54 N 7.82 0.00 -3.58 1.78 3.08 -1.77 -3.44 114.38 118.27 1jul h ARG 54 Ca -0.21 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.75 1jul h ARG 54 Cb 1.13 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.03 1jul h ARG 54 CO 0.14 0.36 -0.30 0.21 -1.07 0.00 0.00 179.97 179.31 1jul s LYS 55 N -3.16 0.84 -0.06 0.04 2.20 -1.21 -0.48 119.74 117.90 1jul s LYS 55 Ca 0.04 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 1jul s LYS 55 Cb 0.08 0.35 0.11 0.00 -1.51 0.00 0.00 37.83 36.86 1jul s LYS 55 CO 0.71 -0.27 0.97 -1.54 -0.36 0.00 0.00 175.35 174.85 1jul s SER 56 N -2.52 -0.32 0.00 1.43 1.04 -1.22 -4.33 113.70 107.78 1jul s SER 56 Ca 0.00 0.05 0.14 0.00 0.48 0.00 0.00 55.95 56.62 1jul s SER 56 Cb 0.02 0.32 0.69 0.00 0.10 0.00 0.00 66.02 67.16 1jul s SER 56 CO -0.08 -0.51 1.40 -0.81 0.98 0.00 0.00 173.24 174.22 1jul n PRO 57 N -0.10 0.16 -2.63 4.02 -0.04 -1.26 -3.61 135.00 131.54 1jul n PRO 57 Ca -0.07 0.17 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1jul n PRO 57 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1jul n PRO 57 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jul n SER 58 N -1.33 3.48 0.00 3.54 3.41 -1.26 -5.05 113.62 116.41 1jul n SER 58 Ca 0.06 -3.37 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 1jul n SER 58 Cb 0.12 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1jul n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jul n GLY 59 N -0.28 0.90 3.93 5.00 0.00 -1.24 -5.12 105.19 108.38 1jul n GLY 59 Ca 0.28 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 1jul n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jul s LEU 60 N 0.00 3.89 0.58 0.99 1.43 -1.26 -4.54 118.68 119.78 1jul s LEU 60 Ca 0.00 0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 53.53 1jul s LEU 60 Cb 0.00 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 1jul s LEU 60 CO 0.00 -0.38 1.33 -1.81 0.23 0.00 0.00 176.35 175.72 1jul s ASP 61 N -3.99 5.02 -0.07 2.29 1.11 -1.26 -4.82 116.67 114.96 1jul s ASP 61 Ca 0.43 2.71 -0.00 0.00 0.18 0.00 0.00 52.55 55.86 1jul s ASP 61 Cb -0.10 -2.63 0.03 0.00 1.07 0.00 0.00 42.92 41.29 1jul s ASP 61 CO 0.38 -1.73 -0.02 -0.69 1.18 0.00 0.00 175.17 174.29 1jul s VAL 62 N -1.34 0.52 -0.26 -1.27 1.01 0.36 -5.01 120.40 114.40 1jul s VAL 62 Ca 0.76 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 1jul s VAL 62 Cb -0.39 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1jul s VAL 62 CO 0.44 0.26 0.17 -0.70 0.00 0.00 0.00 175.10 175.28 1jul s GLU 63 N 1.58 3.98 -0.18 2.72 2.12 -1.26 -4.41 118.70 123.25 1jul s GLU 63 Ca -0.00 -0.31 -0.14 0.00 0.36 0.00 0.00 54.97 54.88 1jul s GLU 63 Cb -0.13 -3.60 0.05 0.00 0.26 0.00 0.00 34.13 30.71 1jul s GLU 63 CO -0.04 -0.09 0.45 0.50 -0.54 0.00 0.00 175.26 175.55 1jul s ARG 64 N 1.48 0.50 0.13 4.30 3.52 -1.26 -5.12 118.95 122.49 1jul s ARG 64 Ca 0.07 0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 56.06 1jul s ARG 64 Cb -0.15 0.17 -0.10 0.00 -1.56 0.00 0.00 34.95 33.31 1jul s ARG 64 CO 0.08 -0.10 1.67 0.34 -0.81 0.00 0.00 175.30 176.49 1jul s ASP 65 N 0.65 6.54 0.25 -2.12 2.15 -1.26 -4.90 116.67 117.97 1jul s ASP 65 Ca -0.03 2.62 -0.05 0.00 0.43 0.00 0.00 52.55 55.52 1jul s ASP 65 Cb -0.05 -2.58 0.28 0.00 -0.30 0.00 0.00 42.92 40.27 1jul s ASP 65 CO -0.04 -0.90 1.86 1.55 -0.17 0.00 0.00 175.17 177.47 1jul h PRO 66 N 7.72 1.15 -0.13 4.34 0.13 -1.99 -2.26 132.00 140.95 1jul h PRO 66 Ca -0.43 -0.15 -0.09 0.00 -0.87 0.00 0.00 66.00 64.45 1jul h PRO 66 Cb 1.21 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1jul h PRO 66 CO 0.93 0.87 -0.28 0.82 -0.23 0.00 0.00 178.00 180.10 1jul h ILE 67 N 1.15 1.37 -0.70 -3.56 1.08 -1.96 -1.14 117.51 113.75 1jul h ILE 67 Ca 0.28 -1.56 -0.04 0.00 -0.39 0.00 0.00 64.86 63.14 1jul h ILE 67 Cb 0.08 2.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 1jul h ILE 67 CO -0.04 0.46 0.26 -0.33 -0.69 0.00 0.00 178.15 177.82 1jul h GLU 68 N 0.01 1.06 -0.41 2.37 4.39 -1.96 0.53 114.58 120.58 1jul h GLU 68 Ca 0.00 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1jul h GLU 68 Cb 0.88 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1jul h GLU 68 CO 0.06 0.89 0.20 -0.92 -1.16 0.00 0.00 179.01 178.09 1jul h TYR 69 N 1.01 0.59 -0.59 4.33 3.20 -1.39 -1.78 116.97 122.34 1jul h TYR 69 Ca 0.23 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.97 1jul h TYR 69 Cb 0.24 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1jul h TYR 69 CO 0.02 0.48 -0.03 0.77 -1.64 0.00 0.00 178.16 177.76 1jul h SER 70 N 0.53 1.05 0.45 -2.11 0.02 -0.85 -1.09 113.55 111.55 1jul h SER 70 Ca 0.14 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 1jul h SER 70 Cb 0.11 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1jul h SER 70 CO -0.02 1.12 -0.49 0.11 -1.14 0.00 0.00 176.83 176.40 1jul h LYS 71 N 0.97 0.05 -0.06 3.45 1.57 -0.77 -0.28 116.57 121.50 1jul h LYS 71 Ca 0.17 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1jul h LYS 71 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1jul h LYS 71 CO 0.04 0.53 -0.08 0.35 -0.57 0.00 0.00 179.45 179.72 1jul h PHE 72 N 0.04 0.19 0.00 -1.35 3.57 -1.13 -3.19 116.94 115.08 1jul h PHE 72 Ca -0.00 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1jul h PHE 72 Cb 0.89 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1jul h PHE 72 CO 0.00 0.64 -0.19 0.52 -2.23 0.00 0.00 178.31 177.06 1jul h MET 73 N -0.31 0.00 -0.23 1.11 2.86 -1.03 -2.56 114.93 114.77 1jul h MET 73 Ca 0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1jul h MET 73 Cb 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1jul h MET 73 CO 0.02 0.19 0.18 1.49 1.06 0.00 0.00 176.91 179.85 1jul h GLU 74 N 0.00 0.00 0.00 1.72 4.81 -1.03 0.51 114.58 120.60 1jul h GLU 74 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jul h GLU 74 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1jul h GLU 74 CO 0.02 0.00 -0.18 0.54 -0.73 0.00 0.00 179.01 178.66 1jul n ARG 75 N -4.30 0.20 0.00 1.92 1.74 -0.96 -4.57 116.66 110.69 1jul n ARG 75 Ca 0.03 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1jul n ARG 75 Cb 0.33 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1jul n ARG 75 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1jul n TYR 76 N -2.04 0.00 -2.72 -1.55 4.01 -0.77 -5.10 117.16 108.99 1jul n TYR 76 Ca 0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.46 1jul n TYR 76 Cb 0.41 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 1jul n TYR 76 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jul s ALA 77 N -1.45 3.00 0.18 -0.72 0.00 0.10 -4.82 121.76 118.05 1jul s ALA 77 Ca 0.00 0.44 0.14 0.00 0.00 0.00 0.00 51.96 52.54 1jul s ALA 77 Cb 0.00 -3.17 0.43 0.00 0.00 0.00 0.00 23.12 20.38 1jul s ALA 77 CO 0.00 -0.01 1.63 -0.24 0.00 0.00 0.00 175.76 177.14 1jul h VAL 78 N 1.75 1.18 -2.02 0.00 3.04 -1.54 -3.46 116.25 115.19 1jul h VAL 78 Ca -0.49 -1.97 0.27 0.00 -1.01 0.00 0.00 66.70 63.50 1jul h VAL 78 Cb 1.19 2.12 -0.08 0.00 -2.01 0.00 0.00 31.29 32.51 1jul h VAL 78 CO 0.60 0.52 0.74 -0.83 -1.01 0.00 0.00 177.57 177.60 1jul s GLY 79 N -4.44 -0.18 0.08 3.17 0.00 -1.23 -4.25 107.32 100.47 1jul s GLY 79 Ca -0.00 0.18 0.09 0.00 0.00 0.00 0.00 44.72 44.99 1jul s GLY 79 CO 0.73 2.12 -0.23 1.08 0.00 0.00 0.00 173.10 176.80 1jul s LEU 80 N -3.30 2.40 -0.21 0.66 1.43 -0.24 -1.29 118.68 118.12 1jul s LEU 80 Ca 0.20 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1jul s LEU 80 Cb 0.01 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.88 1jul s LEU 80 CO 0.00 0.22 -0.12 -0.55 0.23 0.00 0.00 176.35 176.13 1jul s SER 81 N -1.67 3.82 -0.22 2.29 0.15 0.12 -0.02 113.70 118.17 1jul s SER 81 Ca 0.14 -0.70 -0.03 0.00 0.70 0.00 0.00 55.95 56.06 1jul s SER 81 Cb -0.10 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1jul s SER 81 CO 0.05 -0.05 -0.07 -0.63 1.20 0.00 0.00 173.24 173.74 1jul s ILE 82 N 1.33 3.05 0.06 6.45 -1.09 -0.33 -0.85 121.20 129.83 1jul s ILE 82 Ca 0.03 -0.66 -0.31 0.00 -2.23 0.00 0.00 60.65 57.48 1jul s ILE 82 Cb -0.15 -2.40 -0.06 0.00 -1.58 0.00 0.00 42.46 38.27 1jul s ILE 82 CO -0.08 0.41 1.27 -0.76 -1.23 0.00 0.00 174.94 174.55 1jul s LEU 83 N 1.42 4.36 0.00 2.97 2.01 -1.12 -0.83 118.68 127.49 1jul s LEU 83 Ca 0.05 2.10 0.03 0.00 0.01 0.00 0.00 54.13 56.32 1jul s LEU 83 Cb -0.14 -3.58 0.02 0.00 0.01 0.00 0.00 46.19 42.49 1jul s LEU 83 CO -0.05 -0.55 0.52 0.35 1.01 0.00 0.00 176.35 177.63 1jul n THR 84 N 4.03 0.00 -2.27 5.49 -2.24 -0.54 -3.67 114.28 115.08 1jul n THR 84 Ca 0.10 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 1jul n THR 84 Cb 0.45 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 1jul n THR 84 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1jul s GLU 85 N -0.39 4.30 -0.01 -0.78 -6.30 -1.26 -3.71 118.70 110.56 1jul s GLU 85 Ca 0.03 1.91 -0.19 0.00 -2.50 0.00 0.00 54.97 54.22 1jul s GLU 85 Cb 0.02 -3.56 -0.31 0.00 0.00 0.00 0.00 34.13 30.28 1jul s GLU 85 CO 0.05 -0.55 0.97 0.93 0.02 0.00 0.00 175.26 176.68 1jul h GLU 86 N 7.75 0.42 0.01 4.30 5.08 -1.92 0.18 114.58 130.39 1jul h GLU 86 Ca -0.37 -0.66 -0.00 0.00 -1.00 0.00 0.00 59.36 57.33 1jul h GLU 86 Cb 1.18 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1jul h GLU 86 CO 0.90 1.30 -0.00 -0.22 -1.00 0.00 0.00 179.01 179.98 1jul h LYS 87 N -0.12 -0.01 0.00 2.33 3.64 -1.92 -2.68 116.57 117.81 1jul h LYS 87 Ca -0.17 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1jul h LYS 87 Cb 1.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.59 1jul h LYS 87 CO 0.19 0.67 -1.32 0.66 -2.27 0.00 0.00 179.45 177.38 1jul n TYR 88 N -4.77 0.74 0.03 1.91 4.01 -1.26 -4.43 117.16 113.39 1jul n TYR 88 Ca -0.09 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1jul n TYR 88 Cb 0.34 -0.88 -0.00 0.00 -0.31 0.00 0.00 39.34 38.49 1jul n TYR 88 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1jul n PHE 89 N -2.62 0.00 -2.88 -0.72 3.01 -1.24 -3.38 117.46 109.64 1jul n PHE 89 Ca -0.03 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.21 1jul n PHE 89 Cb 0.61 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.10 1jul n PHE 89 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1jul n ASN 90 N -0.51 -5.91 -4.63 4.37 2.85 -1.01 -3.30 115.26 107.13 1jul n ASN 90 Ca 0.00 -0.22 -0.24 0.00 -0.11 0.00 0.00 54.58 54.01 1jul n ASN 90 Cb 0.01 -4.82 0.12 0.00 1.24 0.00 0.00 39.78 36.33 1jul n ASN 90 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1jul s GLY 91 N -2.53 1.76 -0.06 8.20 0.00 0.60 -4.82 107.32 110.48 1jul s GLY 91 Ca 0.23 -1.69 -0.29 0.00 0.00 0.00 0.00 44.72 42.97 1jul s GLY 91 CO 0.28 -1.10 0.83 -1.35 0.00 0.00 0.00 173.10 171.77 1jul s SER 92 N -4.75 -0.48 0.36 1.64 1.04 -1.24 -3.90 113.70 106.37 1jul s SER 92 Ca 0.67 0.36 0.06 0.00 0.48 0.00 0.00 55.95 57.52 1jul s SER 92 Cb -0.05 0.43 0.68 0.00 0.10 0.00 0.00 66.02 67.18 1jul s SER 92 CO 0.45 -0.56 1.90 1.88 0.98 0.00 0.00 173.24 177.90 1jul h TYR 93 N 2.50 0.45 -0.77 5.02 0.05 -1.92 -2.81 116.97 119.49 1jul h TYR 93 Ca -0.23 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.46 1jul h TYR 93 Cb 1.19 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.76 1jul h TYR 93 CO 0.30 0.46 0.31 0.93 -1.05 0.00 0.00 178.16 179.12 1jul h GLU 94 N 0.42 1.15 -0.54 4.88 4.39 -1.98 -0.52 114.58 122.38 1jul h GLU 94 Ca 0.09 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1jul h GLU 94 Cb 0.31 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1jul h GLU 94 CO 0.01 0.93 0.17 1.15 -1.16 0.00 0.00 179.01 180.12 1jul h THR 95 N 1.12 1.23 -0.43 1.13 2.02 -1.91 -1.15 112.91 114.91 1jul h THR 95 Ca 0.26 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1jul h THR 95 Cb 0.21 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1jul h THR 95 CO -0.02 0.29 0.23 0.25 0.37 0.00 0.00 175.52 176.64 1jul h LEU 96 N 0.74 0.55 -0.46 2.58 6.46 -1.32 -1.42 115.31 122.45 1jul h LEU 96 Ca 0.17 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1jul h LEU 96 Cb 0.27 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1jul h LEU 96 CO -0.01 0.50 0.29 -0.09 -0.62 0.00 0.00 178.44 178.51 1jul h ARG 97 N 0.56 0.57 -0.40 1.25 2.43 -0.83 0.94 114.38 118.90 1jul h ARG 97 Ca 0.15 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1jul h ARG 97 Cb 0.08 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1jul h ARG 97 CO -0.02 0.38 0.11 0.87 -1.51 0.00 0.00 179.97 179.80 1jul h LYS 98 N 0.59 0.63 -0.23 0.20 1.79 -1.00 -2.28 116.57 116.27 1jul h LYS 98 Ca 0.17 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1jul h LYS 98 Cb -0.04 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1jul h LYS 98 CO -0.06 0.64 0.07 0.82 -1.08 0.00 0.00 179.45 179.85 1jul h ILE 99 N 0.51 1.19 -0.16 1.86 2.04 -1.07 -2.79 117.51 119.09 1jul h ILE 99 Ca 0.13 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1jul h ILE 99 Cb 0.28 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1jul h ILE 99 CO -0.00 0.20 0.09 0.00 0.00 0.00 0.00 178.15 178.44 1jul h ALA 100 N 0.90 1.87 0.00 1.87 0.00 -0.76 0.39 119.26 123.52 1jul h ALA 100 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jul h ALA 100 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jul h ALA 100 CO -0.00 0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.80 1jul n SER 101 N -4.50 0.59 -0.06 0.00 7.64 -0.86 -4.08 113.62 112.35 1jul n SER 101 Ca -0.01 0.56 -0.04 0.00 1.01 0.00 0.00 58.87 60.40 1jul n SER 101 Cb 0.09 -0.72 -0.14 0.00 -1.01 0.00 0.00 64.21 62.43 1jul n SER 101 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1jul n SER 102 N -2.07 0.67 -4.50 6.43 7.64 0.07 -5.03 113.62 116.83 1jul n SER 102 Ca 0.06 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.69 1jul n SER 102 Cb 0.38 1.20 -0.10 0.00 -1.01 0.00 0.00 64.21 64.68 1jul n SER 102 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1jul s VAL 103 N -2.68 2.04 -0.13 0.44 -7.23 -0.84 -4.97 120.40 107.02 1jul s VAL 103 Ca -0.08 -2.19 0.18 0.00 -1.81 0.00 0.00 61.98 58.08 1jul s VAL 103 Cb 0.07 -2.55 0.29 0.00 0.56 0.00 0.00 36.38 34.76 1jul s VAL 103 CO 0.74 -0.25 1.15 -1.20 -0.31 0.00 0.00 175.10 175.22 1jul n SER 104 N -0.70 2.24 -4.96 4.85 7.64 -1.26 -4.84 113.62 116.59 1jul n SER 104 Ca -0.05 -3.11 -0.23 0.00 1.01 0.00 0.00 58.87 56.48 1jul n SER 104 Cb 0.63 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1jul n SER 104 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1jul s ILE 105 N -2.81 5.26 0.43 0.44 -4.36 -1.26 -5.04 121.20 113.86 1jul s ILE 105 Ca 0.31 -0.80 -0.26 0.00 -0.26 0.00 0.00 60.65 59.65 1jul s ILE 105 Cb 0.28 -3.81 -0.09 0.00 1.25 0.00 0.00 42.46 40.08 1jul s ILE 105 CO 0.02 -0.26 1.39 -0.81 0.24 0.00 0.00 174.94 175.52 1jul n PRO 106 N -1.11 2.21 -4.39 0.37 -0.04 -1.26 -4.83 135.00 125.95 1jul n PRO 106 Ca -0.08 0.78 -0.31 0.00 -0.04 0.00 0.00 63.50 63.85 1jul n PRO 106 Cb 0.56 -2.56 -0.16 0.00 -0.04 0.00 0.00 33.50 31.30 1jul n PRO 106 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jul s ILE 107 N -1.18 1.86 -0.23 0.52 1.01 -1.26 -1.08 121.20 120.83 1jul s ILE 107 Ca 0.60 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 1jul s ILE 107 Cb -0.47 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1jul s ILE 107 CO 0.59 0.51 0.34 -0.22 0.00 0.00 0.00 174.94 176.16 1jul s LEU 108 N 1.08 4.10 -0.26 2.97 2.96 0.96 -0.44 118.68 130.06 1jul s LEU 108 Ca -0.02 0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 53.99 1jul s LEU 108 Cb -0.14 -2.40 -0.00 0.00 0.50 0.00 0.00 46.19 44.14 1jul s LEU 108 CO -0.06 -0.09 0.86 -0.32 -1.32 0.00 0.00 176.35 175.42 1jul s MET 109 N 1.55 4.13 -0.36 1.98 -2.45 -0.35 -1.19 119.30 122.61 1jul s MET 109 Ca 0.15 0.91 -0.12 0.00 -1.25 0.00 0.00 55.69 55.38 1jul s MET 109 Cb -0.15 -3.67 0.01 0.00 1.25 0.00 0.00 34.83 32.27 1jul s MET 109 CO 0.08 -0.59 0.23 0.21 1.05 0.00 0.00 175.02 176.00 1jul s LYS 110 N 2.96 3.15 0.00 4.11 2.47 -0.01 -2.52 119.74 129.91 1jul s LYS 110 Ca 0.36 -0.87 0.00 0.00 -1.56 0.00 0.00 55.97 53.90 1jul s LYS 110 Cb -0.15 -3.78 0.00 0.00 -1.46 0.00 0.00 37.83 32.45 1jul s LYS 110 CO 0.09 -0.58 0.00 -3.47 0.16 0.00 0.00 175.35 171.55 1jul n ASP 111 N 5.06 0.00 -4.03 1.43 -0.08 -1.26 -1.47 116.55 116.21 1jul n ASP 111 Ca -0.12 -0.92 -0.33 0.00 -1.51 0.00 0.00 54.79 51.91 1jul n ASP 111 Cb 0.48 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.84 1jul n ASP 111 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1jul s PHE 112 N -7.77 3.59 -0.22 -0.67 0.40 -1.26 -4.86 117.98 107.19 1jul s PHE 112 Ca 0.00 -3.06 -0.29 0.00 -0.60 0.00 0.00 56.93 52.98 1jul s PHE 112 Cb 0.00 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.50 1jul s PHE 112 CO 0.00 -0.71 1.09 0.42 0.70 0.00 0.00 175.22 176.72 1jul s ILE 113 N -0.93 4.58 0.00 0.64 1.01 -1.26 -4.80 121.20 120.44 1jul s ILE 113 Ca 0.23 1.90 0.00 0.00 0.00 0.00 0.00 60.65 62.78 1jul s ILE 113 Cb -0.12 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1jul s ILE 113 CO -0.10 -0.18 0.14 1.33 0.00 0.00 0.00 174.94 176.13 1jul n VAL 114 N 5.36 0.00 -3.78 2.92 0.24 -1.26 -4.79 118.33 117.02 1jul n VAL 114 Ca 0.12 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 1jul n VAL 114 Cb 0.46 1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.94 1jul n VAL 114 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1jul s LYS 115 N -0.32 0.80 0.30 7.34 -2.85 -1.26 -4.92 119.74 118.83 1jul s LYS 115 Ca 0.00 -0.59 0.03 0.00 -1.00 0.00 0.00 55.97 54.41 1jul s LYS 115 Cb 0.00 0.34 0.61 0.00 -2.06 0.00 0.00 37.83 36.72 1jul s LYS 115 CO 0.00 -0.25 1.86 0.93 0.10 0.00 0.00 175.35 177.98 1jul h GLU 116 N 3.19 0.91 0.00 1.78 5.08 -1.99 -2.47 114.58 121.08 1jul h GLU 116 Ca -0.32 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1jul h GLU 116 Cb 1.20 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1jul h GLU 116 CO 0.48 0.60 -0.01 0.66 -1.00 0.00 0.00 179.01 179.74 1jul h SER 117 N 0.94 0.00 0.60 1.42 4.64 -1.98 0.06 113.55 119.23 1jul h SER 117 Ca 0.47 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.68 1jul h SER 117 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1jul h SER 117 CO -0.23 0.01 -0.54 1.56 -0.87 0.00 0.00 176.83 176.76 1jul h GLN 118 N 0.00 0.00 -0.06 4.77 4.20 -1.82 0.65 115.11 122.84 1jul h GLN 118 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1jul h GLN 118 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1jul h GLN 118 CO 0.00 0.54 -0.79 0.82 -0.67 0.00 0.00 178.83 178.73 1jul h ILE 119 N 0.00 1.38 -0.42 2.54 2.04 -1.13 -1.62 117.51 120.30 1jul h ILE 119 Ca -0.01 -2.21 -0.02 0.00 1.00 0.00 0.00 64.86 63.63 1jul h ILE 119 Cb 0.98 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 1jul h ILE 119 CO 0.07 0.67 0.18 0.44 0.00 0.00 0.00 178.15 179.51 1jul h ASP 120 N 0.29 0.57 -0.10 1.72 3.32 -0.98 -1.07 116.42 120.17 1jul h ASP 120 Ca -0.05 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 56.88 1jul h ASP 120 Cb 1.39 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1jul h ASP 120 CO 0.14 0.56 -0.08 0.44 -1.72 0.00 0.00 179.24 178.58 1jul h ASP 121 N 0.53 -0.25 -0.42 6.45 3.32 -0.75 0.66 116.42 125.97 1jul h ASP 121 Ca 0.14 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.29 1jul h ASP 121 Cb 0.16 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1jul h ASP 121 CO -0.01 -0.11 0.16 0.00 -1.72 0.00 0.00 179.24 177.55 1jul h ALA 122 N 0.99 0.51 -0.10 3.45 0.00 -1.05 -0.09 119.26 122.97 1jul h ALA 122 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jul h ALA 122 Cb 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jul h ALA 122 CO -0.15 -0.23 0.04 -0.92 0.00 0.00 0.00 179.25 177.99 1jul h TYR 123 N 0.33 0.14 -0.12 0.00 3.20 -0.93 -0.32 116.97 119.26 1jul h TYR 123 Ca 0.20 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1jul h TYR 123 Cb 0.17 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1jul h TYR 123 CO -0.15 0.22 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.53 1jul h ASN 124 N 0.02 0.19 1.43 -2.11 -0.26 -0.60 -2.75 115.58 111.49 1jul h ASN 124 Ca 0.03 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1jul h ASN 124 Cb 0.14 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1jul h ASN 124 CO -0.00 0.36 -0.01 0.18 -1.06 0.00 0.00 177.43 176.90 1jul n LEU 125 N -4.27 0.75 0.00 1.61 4.32 -0.07 -3.12 117.00 116.22 1jul n LEU 125 Ca -0.01 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 1jul n LEU 125 Cb 0.28 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1jul n LEU 125 CO 0.38 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 176.99 1jul n GLY 126 N 1.32 0.97 3.78 -0.72 0.00 -1.04 -4.29 105.19 105.22 1jul n GLY 126 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1jul n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jul s ALA 127 N -2.00 2.69 -0.12 4.61 0.00 -0.16 -4.86 121.76 121.92 1jul s ALA 127 Ca 0.00 0.69 0.21 0.00 0.00 0.00 0.00 51.96 52.86 1jul s ALA 127 Cb 0.00 -3.32 -0.20 0.00 0.00 0.00 0.00 23.12 19.60 1jul s ALA 127 CO 0.00 -0.78 0.64 -0.25 0.00 0.00 0.00 175.76 175.38 1jul n ASP 128 N -1.51 0.37 -3.36 0.00 8.00 0.42 -4.53 116.55 115.94 1jul n ASP 128 Ca 0.11 0.15 -0.08 0.00 0.71 0.00 0.00 54.79 55.67 1jul n ASP 128 Cb 0.52 1.17 0.00 0.00 -0.02 0.00 0.00 41.12 42.79 1jul n ASP 128 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1jul s THR 129 N -3.27 0.00 0.11 -3.53 -1.32 -0.99 -4.60 115.64 102.05 1jul s THR 129 Ca -0.05 -1.03 0.03 0.00 -1.21 0.00 0.00 61.69 59.42 1jul s THR 129 Cb 0.11 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.58 1jul s THR 129 CO 0.85 0.00 -0.08 0.68 -2.21 0.00 0.00 174.62 173.87 1jul s VAL 130 N -3.06 0.83 -0.07 5.08 -7.23 -1.26 -1.21 120.40 113.48 1jul s VAL 130 Ca 0.14 -1.95 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 1jul s VAL 130 Cb -0.05 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 1jul s VAL 130 CO 0.10 -0.82 0.31 -0.22 -0.31 0.00 0.00 175.10 174.15 1jul s LEU 131 N -3.04 4.39 -0.10 1.32 2.96 -1.05 -1.34 118.68 121.82 1jul s LEU 131 Ca 0.13 0.72 0.02 0.00 -0.22 0.00 0.00 54.13 54.77 1jul s LEU 131 Cb 0.04 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.35 1jul s LEU 131 CO -0.03 0.29 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.37 1jul s LEU 132 N -0.67 1.79 -0.32 -0.68 1.43 -0.29 -4.51 118.68 115.42 1jul s LEU 132 Ca 0.20 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1jul s LEU 132 Cb -0.14 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 1jul s LEU 132 CO 0.08 0.04 0.18 -0.63 0.23 0.00 0.00 176.35 176.25 1jul s ILE 133 N 0.85 4.76 0.19 -0.59 1.01 -1.26 -0.86 121.20 125.30 1jul s ILE 133 Ca -0.09 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 1jul s ILE 133 Cb -0.15 -3.44 0.10 0.00 0.01 0.00 0.00 42.46 38.97 1jul s ILE 133 CO 0.00 0.03 1.81 0.58 0.00 0.00 0.00 174.94 177.37 1jul h VAL 134 N 5.63 1.03 0.00 2.92 2.07 -1.81 -2.98 116.25 123.11 1jul h VAL 134 Ca -0.32 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1jul h VAL 134 Cb 1.15 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1jul h VAL 134 CO 0.62 0.12 0.00 2.29 0.02 0.00 0.00 177.57 180.62 1jul n LYS 135 N -4.79 0.06 0.00 1.57 2.85 -1.26 -2.37 118.16 114.22 1jul n LYS 135 Ca 0.05 0.45 0.07 0.00 -1.05 0.00 0.00 58.31 57.83 1jul n LYS 135 Cb 0.10 -1.66 -0.03 0.00 -0.65 0.00 0.00 35.03 32.79 1jul n LYS 135 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1jul n ILE 136 N -1.79 0.00 -4.40 0.58 -5.35 -1.13 -4.85 119.36 102.42 1jul n ILE 136 Ca 0.01 -0.28 -0.28 0.00 -0.27 0.00 0.00 62.75 61.93 1jul n ILE 136 Cb 0.09 1.11 -0.12 0.00 -1.74 0.00 0.00 39.64 38.98 1jul n ILE 136 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jul s LEU 137 N -2.20 2.40 0.81 7.28 1.43 -1.00 -1.24 118.68 126.16 1jul s LEU 137 Ca 0.10 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 1jul s LEU 137 Cb 0.11 -1.21 0.08 0.00 0.03 0.00 0.00 46.19 45.20 1jul s LEU 137 CO 0.44 0.15 1.13 0.42 0.23 0.00 0.00 176.35 178.72 1jul s THR 138 N -1.38 2.57 0.28 5.49 -4.23 -1.26 -4.74 115.64 112.37 1jul s THR 138 Ca 0.18 0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 1jul s THR 138 Cb -0.09 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 70.93 1jul s THR 138 CO 0.08 -0.24 1.94 -0.08 -0.54 0.00 0.00 174.62 175.78 1jul h GLU 139 N -1.08 1.17 -0.42 3.99 4.81 -1.99 -1.42 114.58 119.65 1jul h GLU 139 Ca -0.47 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 58.61 1jul h GLU 139 Cb 1.30 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1jul h GLU 139 CO 0.63 0.79 -0.00 -0.09 -0.73 0.00 0.00 179.01 179.61 1jul h ARG 140 N 1.20 0.74 -0.56 1.92 2.43 -2.00 -2.11 114.38 116.00 1jul h ARG 140 Ca 0.32 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1jul h ARG 140 Cb -0.11 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1jul h ARG 140 CO -0.07 0.82 0.15 0.93 -1.51 0.00 0.00 179.97 180.30 1jul h GLU 141 N 0.58 0.89 -0.02 0.20 5.08 -1.87 -1.70 114.58 117.74 1jul h GLU 141 Ca 0.12 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1jul h GLU 141 Cb 0.49 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jul h GLU 141 CO 0.02 0.82 0.01 -0.07 -1.00 0.00 0.00 179.01 178.80 1jul h LEU 142 N 0.80 0.03 -0.89 1.33 3.38 -1.17 -0.39 115.31 118.39 1jul h LEU 142 Ca 0.18 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1jul h LEU 142 Cb 0.32 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1jul h LEU 142 CO -0.00 0.02 0.38 -0.08 0.09 0.00 0.00 178.44 178.85 1jul h GLU 143 N 0.03 1.18 -0.44 1.13 4.22 -1.33 -0.79 114.58 118.58 1jul h GLU 143 Ca 0.01 -0.18 -0.05 0.00 0.08 0.00 0.00 59.36 59.22 1jul h GLU 143 Cb -0.00 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1jul h GLU 143 CO -0.00 0.92 0.09 1.03 -2.18 0.00 0.00 179.01 178.86 1jul h SER 144 N 1.17 0.68 0.17 1.04 0.87 -1.05 -1.46 113.55 114.97 1jul h SER 144 Ca 0.28 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.47 1jul h SER 144 Cb 0.13 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1jul h SER 144 CO -0.03 0.75 -0.47 -0.07 -0.53 0.00 0.00 176.83 176.48 1jul h LEU 145 N 0.58 0.38 -0.24 2.23 3.38 -0.86 -1.76 115.31 119.03 1jul h LEU 145 Ca 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1jul h LEU 145 Cb 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1jul h LEU 145 CO 0.01 0.80 0.07 0.25 0.09 0.00 0.00 178.44 179.65 1jul h LEU 146 N 0.29 0.35 -0.75 1.67 5.85 -1.00 0.02 115.31 121.73 1jul h LEU 146 Ca 0.02 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1jul h LEU 146 Cb 0.93 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1jul h LEU 146 CO 0.08 0.47 0.44 -0.08 -0.34 0.00 0.00 178.44 179.00 1jul h GLU 147 N 0.21 1.02 -0.43 1.25 4.81 -1.18 -0.61 114.58 119.65 1jul h GLU 147 Ca 0.08 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1jul h GLU 147 Cb 0.25 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1jul h GLU 147 CO -0.00 0.73 0.07 -0.92 -0.73 0.00 0.00 179.01 178.17 1jul h TYR 148 N 1.02 0.75 -0.52 0.92 3.20 -1.12 -1.85 116.97 119.37 1jul h TYR 148 Ca 0.27 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1jul h TYR 148 Cb -0.02 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1jul h TYR 148 CO -0.01 0.72 0.19 0.00 -1.64 0.00 0.00 178.16 177.42 1jul h ALA 149 N 0.94 0.68 0.00 1.82 0.00 -0.67 -2.48 119.26 119.55 1jul h ALA 149 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jul h ALA 149 Cb 0.37 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jul h ALA 149 CO 0.01 0.31 -0.09 0.00 0.00 0.00 0.00 179.25 179.47 1jul h ARG 150 N 0.70 0.00 0.00 0.00 3.08 -0.93 -1.18 114.38 116.05 1jul h ARG 150 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1jul h ARG 150 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1jul h ARG 150 CO -0.01 0.09 0.00 0.66 -1.07 0.00 0.00 179.97 179.64 1jul h SER 151 N 0.00 0.00 0.28 7.04 4.64 -0.85 -0.84 113.55 123.82 1jul h SER 151 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jul h SER 151 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1jul h SER 151 CO 0.01 0.00 -0.55 -1.22 -0.87 0.00 0.00 176.83 174.20 1jul n TYR 152 N -2.93 0.00 -0.25 4.77 4.01 -0.50 -4.94 117.16 117.32 1jul n TYR 152 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1jul n TYR 152 Cb 0.25 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1jul n TYR 152 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jul n GLY 153 N 1.46 0.87 3.86 2.72 0.00 -0.32 -5.04 105.19 108.75 1jul n GLY 153 Ca 0.07 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1jul n GLY 153 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jul s MET 154 N -0.73 3.72 -0.39 1.61 -1.94 -0.90 -4.97 119.30 115.70 1jul s MET 154 Ca 0.00 0.15 -0.04 0.00 -1.71 0.00 0.00 55.69 54.09 1jul s MET 154 Cb 0.00 -3.13 0.09 0.00 2.01 0.00 0.00 34.83 33.80 1jul s MET 154 CO 0.00 0.67 0.18 -2.00 -0.01 0.00 0.00 175.02 173.85 1jul s GLU 155 N -1.42 2.24 0.61 2.03 2.56 -1.26 -3.17 118.70 120.29 1jul s GLU 155 Ca 0.25 -1.62 -0.17 0.00 0.00 0.00 0.00 54.97 53.43 1jul s GLU 155 Cb -0.14 -3.56 -0.02 0.00 2.00 0.00 0.00 34.13 32.41 1jul s GLU 155 CO 0.13 -0.96 1.13 -1.25 -0.56 0.00 0.00 175.26 173.76 1jul s PRO 156 N 1.24 2.99 -0.29 4.30 0.04 -1.26 -4.71 135.00 137.31 1jul s PRO 156 Ca 0.04 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1jul s PRO 156 Cb -0.22 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1jul s PRO 156 CO -0.02 -1.13 0.68 -1.17 0.04 0.00 0.00 177.00 175.40 1jul s LEU 157 N -4.37 4.11 -0.39 -3.56 2.96 -0.45 -4.44 118.68 112.54 1jul s LEU 157 Ca 0.71 0.58 -0.13 0.00 -0.22 0.00 0.00 54.13 55.07 1jul s LEU 157 Cb -0.23 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.57 1jul s LEU 157 CO 0.35 -0.48 0.26 -0.63 -1.32 0.00 0.00 176.35 174.53 1jul s ILE 158 N 2.67 5.05 -0.08 6.68 1.01 -0.28 -1.14 121.20 135.12 1jul s ILE 158 Ca 0.28 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 60.05 1jul s ILE 158 Cb -0.15 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1jul s ILE 158 CO 0.11 -0.23 0.74 -0.70 0.00 0.00 0.00 174.94 174.86 1jul s GLU 159 N 1.65 4.42 0.21 2.79 2.12 -0.04 -0.68 118.70 129.18 1jul s GLU 159 Ca 0.04 0.93 0.11 0.00 0.36 0.00 0.00 54.97 56.41 1jul s GLU 159 Cb -0.19 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 1jul s GLU 159 CO 0.09 -0.00 -0.21 0.96 -0.54 0.00 0.00 175.26 175.56 1jul s ILE 160 N 1.01 2.21 0.00 -3.70 -4.36 0.19 -2.27 121.20 114.28 1jul s ILE 160 Ca 0.39 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1jul s ILE 160 Cb -0.18 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.44 1jul s ILE 160 CO 0.18 -0.27 0.00 -3.20 0.24 0.00 0.00 174.94 171.89 1jul n ASN 161 N 0.01 0.62 -3.33 4.36 4.05 -1.26 -1.45 115.26 118.26 1jul n ASN 161 Ca -0.10 -0.05 -0.15 0.00 0.45 0.00 0.00 54.58 54.72 1jul n ASN 161 Cb 0.58 0.23 -0.05 0.00 1.23 0.00 0.00 39.78 41.77 1jul n ASN 161 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1jul s ASP 162 N -0.35 0.91 0.25 1.20 1.47 -1.26 -4.93 116.67 113.96 1jul s ASP 162 Ca 0.00 -1.48 -0.06 0.00 1.18 0.00 0.00 52.55 52.19 1jul s ASP 162 Cb 0.00 0.64 0.27 0.00 -0.34 0.00 0.00 42.92 43.49 1jul s ASP 162 CO 0.00 -1.25 1.92 -0.33 0.68 0.00 0.00 175.17 176.19 1jul h GLU 163 N 2.14 1.28 -0.68 2.11 5.08 -1.99 -1.93 114.58 120.59 1jul h GLU 163 Ca -0.28 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1jul h GLU 163 Cb 1.24 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1jul h GLU 163 CO 0.39 0.87 0.27 -0.97 -1.00 0.00 0.00 179.01 178.57 1jul h ASN 164 N 1.31 0.94 -0.49 1.42 -1.24 -1.99 -0.52 115.58 115.00 1jul h ASN 164 Ca 0.35 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 1jul h ASN 164 Cb -0.11 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.67 1jul h ASN 164 CO -0.07 0.85 0.27 0.44 -1.29 0.00 0.00 177.43 177.64 1jul h ASP 165 N 0.97 0.62 -0.37 1.15 3.32 -1.89 -2.25 116.42 117.97 1jul h ASP 165 Ca 0.23 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1jul h ASP 165 Cb 0.21 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1jul h ASP 165 CO -0.02 0.53 0.22 0.25 -1.72 0.00 0.00 179.24 178.50 1jul h LEU 166 N 0.66 0.45 -0.51 1.55 5.85 -0.93 -0.47 115.31 121.90 1jul h LEU 166 Ca 0.17 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1jul h LEU 166 Cb 0.05 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1jul h LEU 166 CO -0.03 0.38 0.24 -0.78 -0.34 0.00 0.00 178.44 177.91 1jul h ASP 167 N 0.48 0.32 -0.62 1.25 3.58 -0.92 -1.39 116.42 119.12 1jul h ASP 167 Ca 0.13 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 1jul h ASP 167 Cb 0.02 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1jul h ASP 167 CO -0.02 0.22 0.07 0.40 -2.88 0.00 0.00 179.24 177.02 1jul h ILE 168 N 0.46 1.26 -0.66 2.25 2.04 -1.10 -1.18 117.51 120.58 1jul h ILE 168 Ca 0.23 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1jul h ILE 168 Cb 0.18 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1jul h ILE 168 CO -0.19 0.40 0.36 0.00 0.00 0.00 0.00 178.15 178.72 1jul h ALA 169 N 1.07 0.85 -0.36 1.87 0.00 -0.61 -2.05 119.26 120.04 1jul h ALA 169 Ca 0.19 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1jul h ALA 169 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jul h ALA 169 CO 0.02 0.37 -0.13 -0.07 0.00 0.00 0.00 179.25 179.44 1jul h LEU 170 N 0.91 0.74 -1.59 0.00 4.07 -1.07 -1.90 115.31 116.47 1jul h LEU 170 Ca 0.23 -0.39 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 1jul h LEU 170 Cb 0.05 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 1jul h LEU 170 CO -0.04 0.96 0.19 0.03 -1.08 0.00 0.00 178.44 178.50 1jul h ARG 171 N 0.51 0.45 -0.04 1.13 3.08 -0.98 -2.12 114.38 116.42 1jul h ARG 171 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1jul h ARG 171 Cb 0.66 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1jul h ARG 171 CO 0.04 0.34 0.00 0.44 -1.07 0.00 0.00 179.97 179.72 1jul n ILE 172 N -4.45 0.03 -2.03 2.04 -5.35 -0.79 -4.94 119.36 103.88 1jul n ILE 172 Ca 0.02 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1jul n ILE 172 Cb 0.09 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 1jul n ILE 172 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jul n GLY 173 N 1.10 0.64 3.77 3.28 0.00 -0.80 -4.95 105.19 108.23 1jul n GLY 173 Ca 0.19 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1jul n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jul s ALA 174 N -2.31 3.19 0.00 4.61 0.00 -0.72 -4.94 121.76 121.58 1jul s ALA 174 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1jul s ALA 174 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1jul s ALA 174 CO 0.00 -0.67 0.06 0.54 0.00 0.00 0.00 175.76 175.69 1jul n ARG 175 N 0.08 4.83 -3.69 0.00 1.74 -1.26 -4.86 116.66 113.49 1jul n ARG 175 Ca 0.04 -0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 1jul n ARG 175 Cb 0.45 -0.49 -0.16 0.00 -1.02 0.00 0.00 32.46 31.25 1jul n ARG 175 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1jul s PHE 176 N -0.71 1.11 -0.11 -1.55 5.36 -1.26 -1.58 117.98 119.25 1jul s PHE 176 Ca 0.00 -1.17 0.02 0.00 -0.96 0.00 0.00 56.93 54.82 1jul s PHE 176 Cb 0.00 -1.25 -0.01 0.00 -0.34 0.00 0.00 43.02 41.42 1jul s PHE 176 CO 0.00 -0.75 -0.18 0.42 -1.46 0.00 0.00 175.22 173.25 1jul s ILE 177 N 1.83 2.64 -0.20 3.12 1.01 -0.42 -1.12 121.20 128.06 1jul s ILE 177 Ca 0.05 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1jul s ILE 177 Cb -0.17 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1jul s ILE 177 CO -0.20 0.55 0.07 -0.83 0.00 0.00 0.00 174.94 174.53 1jul s GLY 178 N 0.19 1.88 -0.44 6.18 0.00 0.14 -1.21 107.32 114.06 1jul s GLY 178 Ca -0.11 -0.85 -0.12 0.00 0.00 0.00 0.00 44.72 43.64 1jul s GLY 178 CO 0.06 0.19 0.32 -0.42 0.00 0.00 0.00 173.10 173.26 1jul s ILE 179 N 0.73 4.75 -0.30 0.90 1.09 0.00 -0.64 121.20 127.72 1jul s ILE 179 Ca 0.04 -1.20 -0.21 0.00 -1.10 0.00 0.00 60.65 58.18 1jul s ILE 179 Cb -0.13 -3.85 -0.01 0.00 -1.06 0.00 0.00 42.46 37.40 1jul s ILE 179 CO 0.02 -0.53 0.65 0.21 -0.10 0.00 0.00 174.94 175.20 1jul s ASN 180 N 2.32 6.52 0.28 3.58 3.84 -0.53 -1.73 114.94 129.23 1jul s ASN 180 Ca 0.03 0.47 0.25 0.00 0.21 0.00 0.00 52.86 53.83 1jul s ASN 180 Cb -0.23 -2.34 0.97 0.00 -0.55 0.00 0.00 41.25 39.09 1jul s ASN 180 CO 0.05 -0.50 1.75 0.77 -2.79 0.00 0.00 177.10 176.38 1jul h SER 181 N 8.17 0.00 -3.34 -4.21 4.64 -1.69 -3.42 113.55 113.69 1jul h SER 181 Ca -0.26 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.45 1jul h SER 181 Cb 1.11 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.08 1jul h SER 181 CO 0.81 0.00 -0.49 -0.60 -0.87 0.00 0.00 176.83 175.68 1jul s ARG 182 N -3.30 4.16 -0.28 4.77 3.52 -1.26 -0.83 118.95 125.73 1jul s ARG 182 Ca 0.05 -0.23 -0.29 0.00 -0.13 0.00 0.00 55.73 55.13 1jul s ARG 182 Cb 0.10 -3.45 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 1jul s ARG 182 CO 0.46 0.24 1.16 0.34 -0.81 0.00 0.00 175.30 176.70 1jul s ASP 183 N 0.53 6.88 0.44 -2.12 -1.08 0.41 -4.91 116.67 116.82 1jul s ASP 183 Ca 0.08 1.23 0.12 0.00 -0.52 0.00 0.00 52.55 53.46 1jul s ASP 183 Cb -0.12 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.81 1jul s ASP 183 CO -0.00 -0.89 2.04 -0.07 0.52 0.00 0.00 175.17 176.76 1jul h LEU 184 N 10.18 0.34 0.01 -1.34 3.38 -1.95 0.40 115.31 126.33 1jul h LEU 184 Ca -0.23 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jul h LEU 184 Cb 1.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1jul h LEU 184 CO 1.02 0.23 -0.00 -0.08 0.09 0.00 0.00 178.44 179.69 1jul h GLU 185 N 0.39 -0.01 0.00 1.13 4.81 -1.98 -3.35 114.58 115.57 1jul h GLU 185 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1jul h GLU 185 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1jul h GLU 185 CO -0.04 0.53 -1.16 0.25 -0.73 0.00 0.00 179.01 177.86 1jul n THR 186 N -4.83 0.10 -1.01 0.32 -2.24 -1.18 -4.94 114.28 100.50 1jul n THR 186 Ca -0.09 -0.22 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1jul n THR 186 Cb 0.28 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1jul n THR 186 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jul n LEU 187 N -1.89 0.37 -4.76 3.22 4.77 0.14 -5.00 117.00 113.85 1jul n LEU 187 Ca 0.02 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.61 1jul n LEU 187 Cb 0.43 -1.30 -0.06 0.00 -2.33 0.00 0.00 43.42 40.16 1jul n LEU 187 CO 0.42 -0.40 0.65 -0.70 -1.33 0.00 0.00 177.39 176.02 1jul s GLU 188 N -0.85 4.77 -0.15 3.23 2.12 -1.23 -4.72 118.70 121.86 1jul s GLU 188 Ca 0.00 1.44 -0.06 0.00 0.36 0.00 0.00 54.97 56.70 1jul s GLU 188 Cb 0.00 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 1jul s GLU 188 CO 0.00 0.44 0.07 0.42 -0.54 0.00 0.00 175.26 175.65 1jul s ILE 189 N -1.32 4.87 -0.30 -3.70 1.01 -1.26 -0.44 121.20 120.06 1jul s ILE 189 Ca 0.44 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 1jul s ILE 189 Cb -0.24 -3.15 0.10 0.00 0.01 0.00 0.00 42.46 39.18 1jul s ILE 189 CO 0.29 0.52 0.13 0.21 0.00 0.00 0.00 174.94 176.09 1jul s ASN 190 N -0.14 3.67 0.34 3.58 3.84 -0.01 -4.99 114.94 121.22 1jul s ASN 190 Ca 0.07 -1.49 0.15 0.00 0.21 0.00 0.00 52.86 51.81 1jul s ASN 190 Cb -0.12 -0.53 0.59 0.00 -0.55 0.00 0.00 41.25 40.64 1jul s ASN 190 CO 0.01 -0.42 1.71 0.11 -2.79 0.00 0.00 177.10 175.72 1jul h LYS 191 N 8.18 0.00 -0.42 0.43 1.57 -1.98 -2.95 116.57 121.40 1jul h LYS 191 Ca -0.16 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1jul h LYS 191 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1jul h LYS 191 CO 0.44 0.45 -0.22 1.49 -0.57 0.00 0.00 179.45 181.04 1jul h GLU 192 N 0.00 0.86 -0.31 3.15 4.57 -1.98 -1.64 114.58 119.23 1jul h GLU 192 Ca -0.00 -0.35 -0.12 0.00 -1.18 0.00 0.00 59.36 57.70 1jul h GLU 192 Cb 0.93 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1jul h GLU 192 CO 0.06 0.99 -0.30 -0.97 -1.18 0.00 0.00 179.01 177.61 1jul h ASN 193 N 0.74 0.66 -0.45 1.04 -0.73 -1.97 -1.88 115.58 112.99 1jul h ASN 193 Ca 0.10 -0.26 -0.02 0.00 1.87 0.00 0.00 56.30 57.99 1jul h ASN 193 Cb 0.76 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 1jul h ASN 193 CO 0.06 0.92 0.19 -0.61 -0.37 0.00 0.00 177.43 177.62 1jul h GLN 194 N 0.55 0.67 -0.47 6.67 4.15 -1.29 -1.72 115.11 123.69 1jul h GLN 194 Ca 0.07 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 1jul h GLN 194 Cb 0.79 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 1jul h GLN 194 CO 0.06 0.61 0.00 0.00 -1.93 0.00 0.00 178.83 177.57 1jul h ARG 195 N 0.59 0.77 -0.50 1.69 3.08 -1.17 -1.90 114.38 116.94 1jul h ARG 195 Ca 0.15 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1jul h ARG 195 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1jul h ARG 195 CO -0.01 0.78 0.20 -0.22 -1.07 0.00 0.00 179.97 179.64 1jul h LYS 196 N 0.72 0.75 -0.43 0.04 3.64 -1.00 -2.72 116.57 117.57 1jul h LYS 196 Ca 0.14 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1jul h LYS 196 Cb 0.44 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1jul h LYS 196 CO 0.02 0.67 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.76 1jul h LEU 197 N 0.67 0.78 -0.93 5.20 3.38 -1.17 -2.96 115.31 120.27 1jul h LEU 197 Ca 0.17 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.91 1jul h LEU 197 Cb 0.20 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 1jul h LEU 197 CO -0.01 0.92 0.57 0.40 0.09 0.00 0.00 178.44 180.41 1jul h ILE 198 N 0.62 0.95 0.00 1.22 2.04 -1.26 -0.89 117.51 120.19 1jul h ILE 198 Ca 0.12 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1jul h ILE 198 Cb 0.54 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1jul h ILE 198 CO 0.03 0.17 0.00 -1.54 0.00 0.00 0.00 178.15 176.81 1jul n SER 199 N -4.64 0.21 -0.44 1.72 3.41 -1.03 -2.71 113.62 110.14 1jul n SER 199 Ca 0.16 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.43 1jul n SER 199 Cb 0.29 -0.59 0.04 0.00 -0.26 0.00 0.00 64.21 63.69 1jul n SER 199 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1jul n MET 200 N -1.73 1.09 -3.14 4.33 2.81 -0.35 -4.92 117.12 115.22 1jul n MET 200 Ca 0.04 -0.88 -0.39 0.00 -1.81 0.00 0.00 57.70 54.66 1jul n MET 200 Cb 0.23 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.20 1jul n MET 200 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1jul s ILE 201 N -2.51 5.09 0.41 2.02 1.01 -1.10 -5.03 121.20 121.09 1jul s ILE 201 Ca 0.19 1.28 -0.27 0.00 0.00 0.00 0.00 60.65 61.85 1jul s ILE 201 Cb 0.18 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 1jul s ILE 201 CO 0.58 0.27 1.39 -0.81 0.00 0.00 0.00 174.94 176.37 1jul n PRO 202 N 3.76 2.28 0.29 2.79 -0.04 -1.26 -4.89 135.00 137.93 1jul n PRO 202 Ca -0.03 0.80 0.18 0.00 -0.04 0.00 0.00 63.50 64.42 1jul n PRO 202 Cb 0.51 -2.53 0.94 0.00 -0.04 0.00 0.00 33.50 32.38 1jul n PRO 202 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jul h SER 203 N 2.47 0.00 0.26 3.54 4.64 -1.96 -2.23 113.55 120.26 1jul h SER 203 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1jul h SER 203 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1jul h SER 203 CO 0.62 0.00 -0.02 -0.46 -0.87 0.00 0.00 176.83 176.10 1jul n ASN 204 N -3.22 0.17 -4.78 4.97 0.23 -1.26 -4.76 115.26 106.61 1jul n ASN 204 Ca -0.01 -0.66 -0.37 0.00 -0.53 0.00 0.00 54.58 53.00 1jul n ASN 204 Cb 0.29 -0.11 -0.06 0.00 -2.08 0.00 0.00 39.78 37.82 1jul n ASN 204 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1jul s VAL 205 N -2.28 5.20 -0.16 3.53 1.01 -0.84 -5.01 120.40 121.85 1jul s VAL 205 Ca 0.37 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 1jul s VAL 205 Cb 0.21 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1jul s VAL 205 CO 0.42 0.47 1.12 -0.69 0.00 0.00 0.00 175.10 176.42 1jul s VAL 206 N -0.19 4.52 -0.13 2.92 1.01 -0.61 -4.94 120.40 122.97 1jul s VAL 206 Ca 0.21 1.82 -0.05 0.00 0.00 0.00 0.00 61.98 63.97 1jul s VAL 206 Cb -0.15 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1jul s VAL 206 CO 0.09 -0.11 0.04 -0.54 0.00 0.00 0.00 175.10 174.58 1jul s LYS 207 N 2.95 3.43 -0.15 2.72 1.02 -1.26 -1.29 119.74 127.16 1jul s LYS 207 Ca 0.50 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1jul s LYS 207 Cb -0.19 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1jul s LYS 207 CO 0.13 0.55 -0.14 0.08 -0.92 0.00 0.00 175.35 175.05 1jul s VAL 208 N -0.44 1.55 -0.03 3.17 1.01 -0.35 -1.37 120.40 123.94 1jul s VAL 208 Ca 0.09 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.20 1jul s VAL 208 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1jul s VAL 208 CO 0.02 0.46 0.76 0.00 0.00 0.00 0.00 175.10 176.33 1jul s ALA 209 N 1.47 3.32 0.06 5.51 0.00 -0.59 -0.82 121.76 130.72 1jul s ALA 209 Ca 0.04 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.32 1jul s ALA 209 Cb -0.13 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1jul s ALA 209 CO -0.10 -0.07 -0.22 -1.21 0.00 0.00 0.00 175.76 174.15 1jul s GLU 210 N 0.58 1.40 0.25 0.00 2.02 -0.71 -0.86 118.70 121.38 1jul s GLU 210 Ca 0.40 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1jul s GLU 210 Cb -0.19 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.45 1jul s GLU 210 CO 0.21 0.40 0.00 0.43 0.02 0.00 0.00 175.26 176.32 1jul n SER 211 N 1.59 -4.05 -0.15 -0.19 7.64 -1.23 -2.07 113.62 115.14 1jul n SER 211 Ca -0.18 0.68 -0.02 0.00 1.01 0.00 0.00 58.87 60.37 1jul n SER 211 Cb 0.53 -1.62 -0.01 0.00 -1.01 0.00 0.00 64.21 62.10 1jul n SER 211 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jul n GLY 212 N -1.45 0.47 3.65 0.23 0.00 -1.26 -4.67 105.19 102.15 1jul n GLY 212 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1jul n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jul s ILE 213 N -1.75 5.14 0.00 -0.61 1.01 -1.26 -4.90 121.20 118.82 1jul s ILE 213 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1jul s ILE 213 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1jul s ILE 213 CO 0.00 0.18 0.00 -1.54 0.00 0.00 0.00 174.94 173.58 1jul n SER 214 N 4.90 0.13 -3.90 3.58 3.41 -1.26 -4.77 113.62 115.71 1jul n SER 214 Ca -0.06 -0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.09 1jul n SER 214 Cb 0.50 0.74 -0.10 0.00 -0.26 0.00 0.00 64.21 65.10 1jul n SER 214 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1jul s GLU 215 N -0.77 0.50 0.37 4.33 -1.05 -1.26 -5.04 118.70 115.77 1jul s GLU 215 Ca 0.00 -0.54 0.09 0.00 -0.15 0.00 0.00 54.97 54.37 1jul s GLU 215 Cb 0.00 0.20 0.82 0.00 -0.44 0.00 0.00 34.13 34.71 1jul s GLU 215 CO 0.00 -0.12 1.90 -0.09 0.95 0.00 0.00 175.26 177.90 1jul h ARG 216 N 4.13 0.66 -0.12 -4.83 2.43 -1.91 -1.89 114.38 112.84 1jul h ARG 216 Ca -0.31 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1jul h ARG 216 Cb 1.19 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1jul h ARG 216 CO 0.44 0.43 0.05 -0.97 -1.51 0.00 0.00 179.97 178.41 1jul h ASN 217 N 0.68 0.14 -0.41 -3.80 -1.24 -1.97 -1.24 115.58 107.74 1jul h ASN 217 Ca 0.40 -0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.30 1jul h ASN 217 Cb 0.61 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 1jul h ASN 217 CO -0.16 0.14 -0.13 -0.33 -1.29 0.00 0.00 177.43 175.65 1jul h GLU 218 N 0.16 0.82 -0.48 6.67 5.08 -1.77 -2.53 114.58 122.54 1jul h GLU 218 Ca 0.04 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1jul h GLU 218 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jul h GLU 218 CO -0.00 0.95 0.31 0.82 -1.00 0.00 0.00 179.01 180.09 1jul h ILE 219 N 0.64 1.11 -0.61 3.13 2.04 -1.23 -1.65 117.51 120.94 1jul h ILE 219 Ca 0.10 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1jul h ILE 219 Cb 0.67 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1jul h ILE 219 CO 0.05 0.12 0.31 -0.33 0.00 0.00 0.00 178.15 178.29 1jul h GLU 220 N 0.63 0.86 -0.58 2.37 3.07 -1.24 0.19 114.58 119.89 1jul h GLU 220 Ca 0.18 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1jul h GLU 220 Cb -0.06 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.66 1jul h GLU 220 CO -0.04 0.67 0.23 0.93 -1.40 0.00 0.00 179.01 179.40 1jul h GLU 221 N 0.82 0.87 -0.32 2.33 5.08 -1.30 -2.08 114.58 119.99 1jul h GLU 221 Ca 0.21 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1jul h GLU 221 Cb 0.08 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1jul h GLU 221 CO -0.03 0.75 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.38 1jul h LEU 222 N 0.80 0.66 -1.22 1.33 4.07 -1.03 -2.77 115.31 117.16 1jul h LEU 222 Ca 0.19 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 57.87 1jul h LEU 222 Cb 0.21 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1jul h LEU 222 CO -0.01 0.91 0.14 -0.09 -1.08 0.00 0.00 178.44 178.30 1jul h ARG 223 N 0.56 0.68 0.00 1.13 9.65 -0.67 -0.99 114.38 124.74 1jul h ARG 223 Ca 0.07 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1jul h ARG 223 Cb 0.77 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1jul h ARG 223 CO 0.06 0.60 -0.06 1.57 2.80 0.00 0.00 179.97 184.95 1jul h LYS 224 N 0.67 0.00 -0.01 0.20 2.10 -1.10 -1.96 116.57 116.47 1jul h LYS 224 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1jul h LYS 224 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1jul h LYS 224 CO -0.01 0.06 -0.05 1.28 -2.00 0.00 0.00 179.45 178.73 1jul n LEU 225 N -3.18 0.73 0.00 7.07 4.32 -0.41 -4.92 117.00 120.61 1jul n LEU 225 Ca 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 1jul n LEU 225 Cb 0.33 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1jul n LEU 225 CO 0.29 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 1jul n GLY 226 N 1.17 0.71 3.72 -0.72 0.00 -0.74 -4.83 105.19 104.51 1jul n GLY 226 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1jul n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jul s VAL 227 N -2.00 3.26 -0.00 1.61 1.01 -0.99 -4.77 120.40 118.52 1jul s VAL 227 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 61.98 62.79 1jul s VAL 227 Cb 0.00 -3.58 -0.31 0.00 0.00 0.00 0.00 36.38 32.49 1jul s VAL 227 CO 0.00 0.07 0.85 0.78 0.00 0.00 0.00 175.10 176.80 1jul h ASN 228 N 6.81 0.62 -5.38 3.32 4.21 -1.57 -3.41 115.58 120.18 1jul h ASN 228 Ca -0.42 -0.80 -0.15 0.00 1.21 0.00 0.00 56.30 56.13 1jul h ASN 228 Cb 1.21 -0.20 -0.14 0.00 -1.12 0.00 0.00 38.32 38.07 1jul h ASN 228 CO 0.87 1.66 -0.47 0.00 -1.29 0.00 0.00 177.43 178.19 1jul s ALA 229 N -2.60 0.50 -0.06 -0.83 0.00 -0.85 -4.47 121.76 113.46 1jul s ALA 229 Ca -0.11 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.62 1jul s ALA 229 Cb 0.05 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.17 1jul s ALA 229 CO 0.88 -0.60 -0.08 -0.06 0.00 0.00 0.00 175.76 175.91 1jul s PHE 230 N -4.04 1.10 -0.29 0.00 0.40 -0.51 -1.54 117.98 113.11 1jul s PHE 230 Ca 0.24 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 56.09 1jul s PHE 230 Cb 0.05 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.68 1jul s PHE 230 CO 0.04 -0.24 0.17 -1.17 0.70 0.00 0.00 175.22 174.71 1jul s LEU 231 N 0.84 4.00 -0.08 -0.37 0.20 -0.04 0.23 118.68 123.45 1jul s LEU 231 Ca -0.12 -0.20 0.02 0.00 0.69 0.00 0.00 54.13 54.52 1jul s LEU 231 Cb -0.15 -2.06 0.01 0.00 -0.43 0.00 0.00 46.19 43.56 1jul s LEU 231 CO 0.01 -0.10 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.21 1jul s ILE 232 N 1.70 1.28 0.00 6.68 1.01 -0.54 -3.51 121.20 127.82 1jul s ILE 232 Ca 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.16 1jul s ILE 232 Cb -0.16 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1jul s ILE 232 CO 0.09 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1jul n GLY 233 N 3.91 0.09 0.25 6.18 0.00 -1.26 -1.08 105.19 113.28 1jul n GLY 233 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 1jul n GLY 233 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jul h SER 234 N 0.00 -0.63 -0.02 1.61 0.02 -1.95 -0.77 113.55 111.81 1jul h SER 234 Ca 0.00 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1jul h SER 234 Cb 0.00 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1jul h SER 234 CO 0.00 -0.22 -0.08 0.77 -1.14 0.00 0.00 176.83 176.17 1jul h SER 235 N -0.02 0.22 1.08 3.07 4.64 -1.91 -1.69 113.55 118.94 1jul h SER 235 Ca 0.29 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.39 1jul h SER 235 Cb 0.47 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1jul h SER 235 CO -0.65 0.34 -0.94 -0.07 -0.87 0.00 0.00 176.83 174.64 1jul h LEU 236 N 0.23 0.00 -0.57 5.97 3.38 -1.55 -1.04 115.31 121.74 1jul h LEU 236 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1jul h LEU 236 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1jul h LEU 236 CO 0.01 0.85 0.01 0.24 0.09 0.00 0.00 178.44 179.65 1jul h MET 237 N 0.00 0.99 -0.09 1.13 2.86 -0.75 -0.64 114.93 118.43 1jul h MET 237 Ca -0.04 -0.31 -0.24 0.00 -2.06 0.00 0.00 59.70 57.06 1jul h MET 237 Cb 1.68 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 33.26 1jul h MET 237 CO 0.11 0.98 -0.89 0.00 1.06 0.00 0.00 176.91 178.17 1jul h ARG 238 N 0.88 0.73 -2.38 1.72 2.47 -1.31 -3.41 114.38 113.09 1jul h ARG 238 Ca 0.16 -0.67 -0.55 0.00 -1.26 0.00 0.00 59.98 57.66 1jul h ARG 238 Cb 0.53 0.16 -0.37 0.00 -1.65 0.00 0.00 29.97 28.64 1jul h ARG 238 CO 0.03 1.27 -0.88 -0.80 0.56 0.00 0.00 179.97 180.14 1jul s ASN 239 N -7.18 1.97 0.29 7.04 0.01 -0.40 -5.02 114.94 111.66 1jul s ASN 239 Ca -0.10 -2.50 0.04 0.00 -0.71 0.00 0.00 52.86 49.58 1jul s ASN 239 Cb 0.08 -0.25 0.68 0.00 0.41 0.00 0.00 41.25 42.17 1jul s ASN 239 CO 0.91 -0.24 1.75 -0.65 -1.51 0.00 0.00 177.10 177.37 1jul h PRO 240 N 6.35 0.63 0.00 -0.60 0.11 -1.35 -1.20 132.00 135.94 1jul h PRO 240 Ca 0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1jul h PRO 240 Cb 0.96 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1jul h PRO 240 CO 0.29 0.41 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 1jul n GLU 241 N -4.86 0.13 0.32 1.05 0.00 -1.26 -1.81 120.64 114.21 1jul n GLU 241 Ca 0.21 0.61 0.20 0.00 0.00 0.00 0.00 57.16 58.19 1jul n GLU 241 Cb 0.55 -1.91 1.03 0.00 0.00 0.00 0.00 31.44 31.12 1jul n GLU 241 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1jul h LYS 242 N 0.00 0.00 -0.21 3.44 1.63 -1.57 -1.65 116.57 118.21 1jul h LYS 242 Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1jul h LYS 242 Cb 0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1jul h LYS 242 CO 0.00 0.01 -0.08 0.97 -3.45 0.00 0.00 179.45 176.91 1jul h ILE 243 N 0.00 1.17 -0.48 2.00 2.10 -1.57 -1.77 117.51 118.96 1jul h ILE 243 Ca -0.00 -0.73 -0.02 0.00 1.08 0.00 0.00 64.86 65.18 1jul h ILE 243 Cb 0.14 1.10 -0.02 0.00 -1.09 0.00 0.00 36.82 36.95 1jul h ILE 243 CO 0.00 0.24 0.20 0.11 -1.08 0.00 0.00 178.15 177.62 1jul h LYS 244 N 0.31 0.68 -0.06 2.19 1.57 -1.54 -0.65 116.57 119.07 1jul h LYS 244 Ca 0.07 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 1jul h LYS 244 Cb 0.33 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1jul h LYS 244 CO 0.02 0.55 -0.74 1.49 -0.57 0.00 0.00 179.45 180.20 1jul h GLU 245 N 0.68 0.36 -0.04 3.15 4.81 -1.49 -3.30 114.58 118.76 1jul h GLU 245 Ca 0.17 -0.31 -0.18 0.00 -0.13 0.00 0.00 59.36 58.91 1jul h GLU 245 Cb 0.12 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1jul h GLU 245 CO -0.02 0.95 -0.76 0.74 -0.73 0.00 0.00 179.01 179.20 1jul h PHE 246 N 0.24 0.36 -0.31 0.92 0.04 -0.51 -3.33 116.94 114.36 1jul h PHE 246 Ca -0.03 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1jul h PHE 246 Cb 1.32 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1jul h PHE 246 CO 0.04 0.92 0.00 0.44 -0.60 0.00 0.00 178.31 179.11 1jul n ILE 247 N -3.77 0.70 0.88 -0.55 -5.35 -0.34 -4.93 119.36 106.00 1jul n ILE 247 Ca -0.03 -0.51 0.11 0.00 -0.27 0.00 0.00 62.75 62.04 1jul n ILE 247 Cb 0.72 0.03 0.09 0.00 -1.74 0.00 0.00 39.64 38.75 1jul n ILE 247 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79