#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4g s ASP 1 N 0.00 6.88 -0.42 3.17 2.15 -1.26 -4.97 116.67 122.22 1j4g s ASP 1 Ca 0.00 1.82 -0.14 0.00 0.43 0.00 0.00 52.55 54.66 1j4g s ASP 1 Cb 0.00 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.12 1j4g s ASP 1 CO 0.00 -0.79 0.31 -0.69 -0.17 0.00 0.00 175.17 173.83 1j4g s VAL 2 N 3.59 5.08 0.04 1.11 1.01 -1.26 -5.05 120.40 124.91 1j4g s VAL 2 Ca 0.59 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1j4g s VAL 2 Cb -0.24 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1j4g s VAL 2 CO 0.18 -0.40 0.01 -0.94 0.00 0.00 0.00 175.10 173.96 1j4g s SER 3 N 1.97 0.32 -0.06 3.32 1.04 -1.26 -1.34 113.70 117.69 1j4g s SER 3 Ca 0.04 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.79 1j4g s SER 3 Cb -0.21 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.10 1j4g s SER 3 CO 0.08 -0.49 -0.15 0.12 0.98 0.00 0.00 173.24 173.78 1j4g s PHE 4 N -2.83 1.64 -0.22 5.02 5.36 0.25 -4.86 117.98 122.35 1j4g s PHE 4 Ca -0.03 -0.57 -0.04 0.00 -0.96 0.00 0.00 56.93 55.33 1j4g s PHE 4 Cb 0.00 -1.15 -0.01 0.00 -0.34 0.00 0.00 43.02 41.52 1j4g s PHE 4 CO -0.06 -0.25 -0.03 1.03 -1.46 0.00 0.00 175.22 174.45 1j4g s ARG 5 N 0.42 3.43 0.14 10.12 0.52 -1.26 -1.86 118.95 130.46 1j4g s ARG 5 Ca -0.11 -0.60 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1j4g s ARG 5 Cb -0.14 -3.04 -0.09 0.00 0.52 0.00 0.00 34.95 32.20 1j4g s ARG 5 CO 0.04 -0.16 1.32 -0.07 0.02 0.00 0.00 175.30 176.45 1j4g h LEU 6 N 8.00 0.24 -8.82 2.53 3.38 -1.37 -3.32 115.31 115.95 1j4g h LEU 6 Ca -0.40 -0.21 -0.56 0.00 0.09 0.00 0.00 57.88 56.80 1j4g h LEU 6 Cb 1.17 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1j4g h LEU 6 CO 0.60 1.07 1.37 -0.55 0.09 0.00 0.00 178.44 181.01 1j4g s SER 7 N -6.93 5.58 0.00 -0.43 0.15 -1.26 -0.43 113.70 110.38 1j4g s SER 7 Ca -0.02 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1j4g s SER 7 Cb 0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1j4g s SER 7 CO 0.84 -1.96 0.00 0.61 1.20 0.00 0.00 173.24 173.93 1j4g n GLY 8 N 5.59 0.79 3.76 9.45 0.00 -1.26 -5.05 105.19 118.46 1j4g n GLY 8 Ca 0.25 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1j4g n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4g s ALA 9 N -2.00 3.02 0.23 4.61 0.00 0.43 -5.03 121.76 123.02 1j4g s ALA 9 Ca 0.00 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.28 1j4g s ALA 9 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1j4g s ALA 9 CO 0.00 -1.14 0.04 0.95 0.00 0.00 0.00 175.76 175.61 1j4g s THR 10 N -1.30 0.74 0.34 0.00 -4.23 -1.26 -5.00 115.64 104.92 1j4g s THR 10 Ca 0.65 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 1j4g s THR 10 Cb -0.39 -2.40 0.28 0.00 1.34 0.00 0.00 72.50 71.33 1j4g s THR 10 CO 0.48 -0.24 1.96 0.28 -0.54 0.00 0.00 174.62 176.56 1j4g h SER 11 N 2.50 0.76 -0.21 3.99 0.02 -1.96 -1.77 113.55 116.88 1j4g h SER 11 Ca -0.38 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.44 1j4g h SER 11 Cb 1.23 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1j4g h SER 11 CO 0.63 0.51 -0.33 0.28 -1.14 0.00 0.00 176.83 176.78 1j4g h SER 12 N 0.87 0.75 0.30 3.07 0.02 -1.96 -1.82 113.55 114.79 1j4g h SER 12 Ca 0.32 -0.31 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 1j4g h SER 12 Cb 0.16 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1j4g h SER 12 CO -0.10 1.02 -0.62 0.77 -1.14 0.00 0.00 176.83 176.75 1j4g h SER 13 N 0.61 0.36 -0.43 3.07 4.64 -1.77 -0.40 113.55 119.63 1j4g h SER 13 Ca 0.07 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.12 1j4g h SER 13 Cb 0.85 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1j4g h SER 13 CO 0.07 0.89 0.05 0.22 -0.87 0.00 0.00 176.83 177.19 1j4g h TYR 14 N 0.23 0.78 -0.74 4.77 3.20 -1.32 -1.74 116.97 122.16 1j4g h TYR 14 Ca -0.01 -0.12 0.08 0.00 3.14 0.00 0.00 58.73 61.82 1j4g h TYR 14 Cb 1.15 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.14 1j4g h TYR 14 CO 0.03 0.76 0.40 0.78 -1.64 0.00 0.00 178.16 178.49 1j4g h GLY 15 N 0.58 1.11 1.01 1.82 0.00 -0.96 -1.09 103.07 105.54 1j4g h GLY 15 Ca 0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1j4g h GLY 15 CO 0.01 0.12 0.15 -2.08 0.00 0.00 0.00 176.54 174.75 1j4g h VAL 16 N 0.71 1.25 -0.29 4.60 2.07 -0.84 -1.71 116.25 122.04 1j4g h VAL 16 Ca 0.35 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1j4g h VAL 16 Cb 0.29 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1j4g h VAL 16 CO -0.23 0.33 0.14 0.15 0.02 0.00 0.00 177.57 177.98 1j4g h PHE 17 N 0.84 0.26 -0.36 1.57 3.57 -0.80 -0.05 116.94 121.97 1j4g h PHE 17 Ca 0.18 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 1j4g h PHE 17 Cb 0.33 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1j4g h PHE 17 CO 0.02 0.15 -0.13 0.82 -2.23 0.00 0.00 178.31 176.94 1j4g h ILE 18 N 0.30 1.25 -0.65 1.41 1.08 -1.06 0.59 117.51 120.44 1j4g h ILE 18 Ca 0.12 -1.13 -0.04 0.00 -0.39 0.00 0.00 64.86 63.41 1j4g h ILE 18 Cb 0.03 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1j4g h ILE 18 CO -0.08 0.38 0.24 -1.28 -0.69 0.00 0.00 178.15 176.72 1j4g h SER 19 N 0.59 0.91 -0.17 1.72 0.87 -0.79 -0.70 113.55 115.98 1j4g h SER 19 Ca 0.10 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.37 1j4g h SER 19 Cb 0.57 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1j4g h SER 19 CO 0.04 0.85 -0.24 0.78 -0.53 0.00 0.00 176.83 177.72 1j4g h ASN 20 N 0.92 0.63 -0.33 6.23 -0.26 -0.56 -1.64 115.58 120.57 1j4g h ASN 20 Ca 0.21 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1j4g h ASN 20 Cb 0.24 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1j4g h ASN 20 CO -0.01 0.86 0.16 0.25 -1.06 0.00 0.00 177.43 177.63 1j4g h LEU 21 N 0.55 0.43 -1.28 1.61 5.85 -0.36 -1.98 115.31 120.13 1j4g h LEU 21 Ca 0.08 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1j4g h LEU 21 Cb 0.71 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1j4g h LEU 21 CO 0.05 0.43 0.49 0.03 -0.34 0.00 0.00 178.44 179.11 1j4g h ARG 22 N 0.40 0.95 0.00 1.25 3.08 -0.79 -1.81 114.38 117.46 1j4g h ARG 22 Ca 0.11 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1j4g h ARG 22 Cb 0.11 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1j4g h ARG 22 CO -0.01 0.63 0.00 0.87 -1.07 0.00 0.00 179.97 180.38 1j4g h LYS 23 N 0.98 0.00 -0.00 0.04 1.57 -0.66 -2.36 116.57 116.14 1j4g h LYS 23 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1j4g h LYS 23 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1j4g h LYS 23 CO -0.07 0.00 -0.18 0.00 -0.57 0.00 0.00 179.45 178.63 1j4g n ALA 24 N -1.86 2.83 -2.59 3.86 0.00 -0.68 -4.72 120.51 117.36 1j4g n ALA 24 Ca 0.03 -0.23 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1j4g n ALA 24 Cb 0.30 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.35 1j4g n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j4g s LEU 25 N -2.84 4.16 1.01 0.00 1.43 -0.89 -4.95 118.68 116.60 1j4g s LEU 25 Ca 0.18 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 1j4g s LEU 25 Cb 0.19 -2.53 0.20 0.00 0.03 0.00 0.00 46.19 44.08 1j4g s LEU 25 CO 0.56 -0.31 1.08 -2.16 0.23 0.00 0.00 176.35 175.75 1j4g s PRO 26 N 2.22 0.31 -0.02 1.29 0.04 -1.26 -5.03 135.00 132.56 1j4g s PRO 26 Ca 0.17 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 1j4g s PRO 26 Cb -0.16 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1j4g s PRO 26 CO 0.11 -2.89 0.23 0.54 0.04 0.00 0.00 177.00 175.03 1j4g s ASN 27 N -3.05 -0.12 0.13 6.66 6.03 -1.26 -3.94 114.94 119.40 1j4g s ASN 27 Ca 0.66 0.05 -0.14 0.00 -1.03 0.00 0.00 52.86 52.40 1j4g s ASN 27 Cb -0.21 0.31 -0.01 0.00 -3.03 0.00 0.00 41.25 38.32 1j4g s ASN 27 CO 0.60 -0.34 1.59 -0.08 -2.03 0.00 0.00 177.10 176.83 1j4g h GLU 28 N 4.41 0.75 0.00 3.55 4.22 -1.07 -3.47 114.58 122.97 1j4g h GLU 28 Ca -0.29 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 58.92 1j4g h GLU 28 Cb 1.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1j4g h GLU 28 CO 0.39 0.81 0.00 2.89 -2.18 0.00 0.00 179.01 180.92 1j4g n ARG 29 N -4.43 -0.56 -4.52 1.92 -4.01 -1.26 -5.04 116.66 98.77 1j4g n ARG 29 Ca -0.00 0.00 -0.29 0.00 -1.04 0.00 0.00 57.85 56.52 1j4g n ARG 29 Cb 0.28 0.00 -0.13 0.00 -3.04 0.00 0.00 32.46 29.57 1j4g n ARG 29 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 1j4g s LYS 30 N -0.20 1.48 -0.10 2.89 1.02 -1.26 -1.06 119.74 122.51 1j4g s LYS 30 Ca 0.00 -1.27 0.01 0.00 0.02 0.00 0.00 55.97 54.73 1j4g s LYS 30 Cb 0.00 -1.87 0.02 0.00 -0.52 0.00 0.00 37.83 35.46 1j4g s LYS 30 CO 0.00 0.45 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.26 1j4g s LEU 31 N -1.82 1.48 -1.52 3.17 1.02 -0.50 -4.76 118.68 115.74 1j4g s LEU 31 Ca 0.13 -0.34 -0.11 0.00 0.02 0.00 0.00 54.13 53.84 1j4g s LEU 31 Cb -0.10 -0.90 0.08 0.00 0.02 0.00 0.00 46.19 45.28 1j4g s LEU 31 CO 0.05 -0.04 0.79 -1.22 0.02 0.00 0.00 176.35 175.95 1j4g n TYR 32 N 4.41 -1.98 -0.92 0.29 4.01 -1.26 -0.73 117.16 120.98 1j4g n TYR 32 Ca -0.18 0.84 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 1j4g n TYR 32 Cb 0.51 -3.72 0.00 0.00 -0.31 0.00 0.00 39.34 35.82 1j4g n TYR 32 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1j4g n ASP 33 N -2.85 -2.90 -4.52 7.72 10.43 -1.26 -4.98 116.55 118.19 1j4g n ASP 33 Ca -0.07 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 56.95 1j4g n ASP 33 Cb 0.57 -1.63 -0.12 0.00 1.84 0.00 0.00 41.12 41.79 1j4g n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1j4g s ILE 34 N -1.91 4.10 0.23 0.53 -1.09 0.09 -5.06 121.20 118.10 1j4g s ILE 34 Ca 0.00 -0.28 -0.31 0.00 -2.23 0.00 0.00 60.65 57.83 1j4g s ILE 34 Cb 0.00 -2.83 -0.11 0.00 -1.58 0.00 0.00 42.46 37.94 1j4g s ILE 34 CO 0.00 0.47 1.61 -2.84 -1.23 0.00 0.00 174.94 172.95 1j4g s PRO 35 N 0.53 4.16 -0.34 2.79 0.02 -1.26 -1.42 135.00 139.48 1j4g s PRO 35 Ca -0.01 2.51 -0.13 0.00 0.02 0.00 0.00 61.00 63.38 1j4g s PRO 35 Cb -0.14 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 1j4g s PRO 35 CO 0.02 -0.64 0.27 -1.17 -0.33 0.00 0.00 177.00 175.15 1j4g s LEU 36 N 0.47 4.50 0.76 -5.54 2.96 -0.22 -0.68 118.68 120.93 1j4g s LEU 36 Ca 0.68 -0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 54.08 1j4g s LEU 36 Cb -0.47 -2.19 0.06 0.00 0.50 0.00 0.00 46.19 44.09 1j4g s LEU 36 CO 0.38 -0.26 1.23 -0.76 -1.32 0.00 0.00 176.35 175.62 1j4g s LEU 37 N 1.80 3.27 0.00 -0.68 1.43 -1.01 -0.62 118.68 122.87 1j4g s LEU 37 Ca 0.08 2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 55.32 1j4g s LEU 37 Cb -0.17 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.41 1j4g s LEU 37 CO 0.11 -2.48 1.17 -0.13 0.23 0.00 0.00 176.35 175.25 1j4g s ARG 38 N -3.92 4.41 0.41 1.70 0.52 -1.25 -4.41 118.95 116.42 1j4g s ARG 38 Ca 0.76 1.69 0.21 0.00 -0.52 0.00 0.00 55.73 57.86 1j4g s ARG 38 Cb -0.31 -3.45 0.82 0.00 0.52 0.00 0.00 34.95 32.52 1j4g s ARG 38 CO 0.47 -0.31 1.79 0.66 0.02 0.00 0.00 175.30 177.94 1j4g h SER 39 N 7.07 0.00 -5.00 0.23 4.64 -1.92 -3.39 113.55 115.18 1j4g h SER 39 Ca -0.38 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.87 1j4g h SER 39 Cb 1.19 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 1j4g h SER 39 CO 0.83 0.30 0.05 -0.94 -0.87 0.00 0.00 176.83 176.21 1j4g s SER 40 N -6.35 -0.50 -0.04 4.97 1.04 -1.26 -5.01 113.70 106.56 1j4g s SER 40 Ca -0.00 0.41 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 1j4g s SER 40 Cb 0.11 0.48 0.11 0.00 0.10 0.00 0.00 66.02 66.82 1j4g s SER 40 CO 0.66 -0.62 0.98 -1.48 0.98 0.00 0.00 173.24 173.76 1j4g s LEU 41 N -1.48 -0.29 0.30 2.42 0.05 -1.26 -5.13 118.68 113.28 1j4g s LEU 41 Ca -0.10 -0.03 -0.29 0.00 0.05 0.00 0.00 54.13 53.76 1j4g s LEU 41 Cb -0.01 1.87 -0.13 0.00 -2.05 0.00 0.00 46.19 45.87 1j4g s LEU 41 CO 0.05 -0.54 1.26 -0.81 -0.55 0.00 0.00 176.35 175.75 1j4g n PRO 42 N -0.23 1.92 -0.16 1.48 -0.04 -1.26 -4.77 135.00 131.94 1j4g n PRO 42 Ca -0.06 0.68 0.24 0.00 -0.04 0.00 0.00 63.50 64.31 1j4g n PRO 42 Cb 0.61 -2.23 0.65 0.00 -0.04 0.00 0.00 33.50 32.48 1j4g n PRO 42 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1j4g h GLY 43 N 2.88 0.28 2.00 0.55 0.00 -2.00 -0.52 103.07 106.26 1j4g h GLY 43 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1j4g h GLY 43 CO 0.66 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.68 1j4g h SER 44 N 0.13 0.00 -0.01 0.19 4.64 -1.98 -2.69 113.55 113.83 1j4g h SER 44 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1j4g h SER 44 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1j4g h SER 44 CO -0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 175.77 1j4g n GLN 45 N -2.54 1.37 0.14 4.77 6.02 -0.24 -4.66 117.38 122.24 1j4g n GLN 45 Ca 0.02 -1.04 0.10 0.00 -0.01 0.00 0.00 57.00 56.06 1j4g n GLN 45 Cb 0.27 -1.23 0.05 0.00 1.02 0.00 0.00 30.24 30.36 1j4g n GLN 45 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1j4g h ARG 46 N 2.15 0.00 -4.45 -1.09 2.43 -1.10 -3.44 114.38 108.87 1j4g h ARG 46 Ca 0.00 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.49 1j4g h ARG 46 Cb 0.52 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 29.70 1j4g h ARG 46 CO 0.00 0.07 -0.60 0.71 -1.51 0.00 0.00 179.97 178.64 1j4g s TYR 47 N -3.24 3.63 0.50 2.20 2.02 -1.26 -0.77 117.35 120.43 1j4g s TYR 47 Ca 0.02 -2.69 -0.12 0.00 -0.37 0.00 0.00 57.07 53.91 1j4g s TYR 47 Cb 0.08 -3.10 -0.06 0.00 -0.40 0.00 0.00 41.96 38.48 1j4g s TYR 47 CO 0.75 -0.95 0.91 0.00 -1.57 0.00 0.00 175.55 174.69 1j4g s ALA 48 N 0.92 3.20 0.04 3.71 0.00 -0.54 -4.81 121.76 124.27 1j4g s ALA 48 Ca 0.10 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.08 1j4g s ALA 48 Cb -0.21 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1j4g s ALA 48 CO -0.05 -0.28 -0.26 -0.51 0.00 0.00 0.00 175.76 174.66 1j4g s LEU 49 N -4.32 2.16 0.14 0.00 1.02 -1.26 -0.67 118.68 115.75 1j4g s LEU 49 Ca 0.54 -0.59 0.05 0.00 0.02 0.00 0.00 54.13 54.16 1j4g s LEU 49 Cb -0.10 -1.27 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 1j4g s LEU 49 CO 0.38 0.26 -0.11 0.27 0.02 0.00 0.00 176.35 177.16 1j4g s ILE 50 N -0.80 1.23 -0.04 -0.59 -4.36 -0.49 -4.46 121.20 111.70 1j4g s ILE 50 Ca 0.11 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 1j4g s ILE 50 Cb -0.10 -1.76 0.02 0.00 1.25 0.00 0.00 42.46 41.87 1j4g s ILE 50 CO 0.02 -0.65 -0.06 -1.00 0.24 0.00 0.00 174.94 173.49 1j4g s HIS 51 N -2.98 0.85 -0.05 1.37 3.76 -0.45 -0.24 115.29 117.55 1j4g s HIS 51 Ca 0.15 -0.24 0.04 0.00 -0.15 0.00 0.00 55.06 54.85 1j4g s HIS 51 Cb 0.00 -0.69 0.00 0.00 1.11 0.00 0.00 32.58 33.00 1j4g s HIS 51 CO 0.02 -0.17 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.06 1j4g s LEU 52 N 0.70 1.87 -0.11 0.89 1.02 -0.47 -0.59 118.68 122.00 1j4g s LEU 52 Ca -0.10 -0.34 0.03 0.00 0.02 0.00 0.00 54.13 53.73 1j4g s LEU 52 Cb -0.13 -0.94 -0.00 0.00 0.02 0.00 0.00 46.19 45.13 1j4g s LEU 52 CO 0.01 0.13 -0.21 -0.89 0.02 0.00 0.00 176.35 175.41 1j4g s THR 53 N 0.18 2.35 0.50 5.49 2.01 -0.78 -1.17 115.64 124.23 1j4g s THR 53 Ca -0.07 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 1j4g s THR 53 Cb -0.13 -1.93 0.11 0.00 0.01 0.00 0.00 72.50 70.57 1j4g s THR 53 CO 0.03 0.55 0.68 -0.46 -0.69 0.00 0.00 174.62 174.73 1j4g n ASN 54 N 3.53 0.31 0.03 3.53 0.23 -0.07 -1.12 115.26 121.71 1j4g n ASN 54 Ca -0.19 -1.40 0.08 0.00 -0.53 0.00 0.00 54.58 52.54 1j4g n ASN 54 Cb 0.53 -0.50 0.52 0.00 -2.08 0.00 0.00 39.78 38.25 1j4g n ASN 54 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1j4g h TYR 55 N -1.10 0.33 -0.25 -2.53 0.05 -1.88 -1.57 116.97 110.02 1j4g h TYR 55 Ca -0.22 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1j4g h TYR 55 Cb 0.67 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1j4g h TYR 55 CO 0.00 0.19 0.00 0.00 -1.05 0.00 0.00 178.16 177.30 1j4g n ALA 56 N -2.52 2.86 -3.15 3.88 0.00 -1.26 -4.75 120.51 115.57 1j4g n ALA 56 Ca 0.04 -0.68 -0.21 0.00 0.00 0.00 0.00 53.44 52.59 1j4g n ALA 56 Cb 0.20 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.67 1j4g n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j4g n ASP 57 N 0.29 -5.76 -4.61 0.00 2.03 -0.59 -5.01 116.55 102.89 1j4g n ASP 57 Ca 0.11 -0.34 -0.34 0.00 0.52 0.00 0.00 54.79 54.73 1j4g n ASP 57 Cb 0.50 -4.51 -0.10 0.00 -0.72 0.00 0.00 41.12 36.29 1j4g n ASP 57 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1j4g s GLU 58 N -5.81 3.42 -0.04 -0.67 2.02 -1.26 -4.89 118.70 111.48 1j4g s GLU 58 Ca 0.37 -0.43 0.05 0.00 0.02 0.00 0.00 54.97 54.97 1j4g s GLU 58 Cb -0.16 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1j4g s GLU 58 CO 0.46 0.46 -0.17 0.99 0.02 0.00 0.00 175.26 177.02 1j4g s THR 59 N -0.21 2.86 0.08 3.63 2.01 -1.26 -0.89 115.64 121.86 1j4g s THR 59 Ca 0.05 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.31 1j4g s THR 59 Cb -0.12 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 1j4g s THR 59 CO 0.02 0.58 -0.20 0.27 -0.69 0.00 0.00 174.62 174.59 1j4g s ILE 60 N -0.72 1.65 0.07 1.82 -0.00 -0.32 -4.49 121.20 119.20 1j4g s ILE 60 Ca 0.11 -1.41 0.05 0.00 -0.00 0.00 0.00 60.65 59.40 1j4g s ILE 60 Cb -0.10 -1.49 -0.04 0.00 -0.00 0.00 0.00 42.46 40.83 1j4g s ILE 60 CO 0.00 0.01 -0.04 -0.44 -0.00 0.00 0.00 174.94 174.48 1j4g s SER 61 N -1.66 4.78 -0.05 4.36 0.01 -0.40 -1.36 113.70 119.38 1j4g s SER 61 Ca 0.06 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.14 1j4g s SER 61 Cb -0.10 -1.09 0.01 0.00 0.21 0.00 0.00 66.02 65.05 1j4g s SER 61 CO 0.03 0.21 -0.12 -0.69 0.41 0.00 0.00 173.24 173.08 1j4g s VAL 62 N -1.19 1.09 -0.18 3.43 1.01 0.66 -0.23 120.40 124.98 1j4g s VAL 62 Ca 0.22 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1j4g s VAL 62 Cb -0.11 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1j4g s VAL 62 CO 0.14 0.34 0.27 0.00 0.00 0.00 0.00 175.10 175.85 1j4g s ALA 63 N 0.47 3.60 -0.07 5.51 0.00 -0.70 -1.39 121.76 129.19 1j4g s ALA 63 Ca -0.10 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1j4g s ALA 63 Cb -0.14 -2.39 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 1j4g s ALA 63 CO 0.03 -0.00 -0.20 0.42 0.00 0.00 0.00 175.76 176.01 1j4g s ILE 64 N 0.67 1.70 -0.35 0.00 1.09 0.15 -0.80 121.20 123.67 1j4g s ILE 64 Ca 0.15 -0.84 -0.29 0.00 -1.10 0.00 0.00 60.65 58.57 1j4g s ILE 64 Cb -0.13 -1.47 0.02 0.00 -1.06 0.00 0.00 42.46 39.82 1j4g s ILE 64 CO 0.04 0.48 1.06 -0.62 -0.10 0.00 0.00 174.94 175.80 1j4g s ASP 65 N 0.17 6.85 0.00 3.58 -1.08 0.22 -1.47 116.67 124.94 1j4g s ASP 65 Ca -0.10 0.89 0.21 0.00 -0.52 0.00 0.00 52.55 53.04 1j4g s ASP 65 Cb -0.14 -2.53 0.89 0.00 -1.46 0.00 0.00 42.92 39.67 1j4g s ASP 65 CO 0.05 -0.94 1.66 1.33 0.52 0.00 0.00 175.17 177.80 1j4g n VAL 66 N 6.04 0.56 0.25 1.11 0.24 0.05 -0.14 118.33 126.44 1j4g n VAL 66 Ca 0.11 0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.68 1j4g n VAL 66 Cb 0.48 -0.78 0.21 0.00 -1.47 0.00 0.00 33.84 32.27 1j4g n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1j4g h THR 67 N 0.00 0.00 0.00 3.34 1.35 -1.80 -3.39 112.91 112.41 1j4g h THR 67 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1j4g h THR 67 Cb 0.35 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1j4g h THR 67 CO 0.00 0.00 -0.03 -0.46 -0.25 0.00 0.00 175.52 174.78 1j4g n ASN 68 N -3.04 0.00 -0.72 5.36 0.23 -1.10 -4.70 115.26 111.29 1j4g n ASN 68 Ca 0.04 -1.05 -0.09 0.00 -0.53 0.00 0.00 54.58 52.94 1j4g n ASN 68 Cb 0.51 -0.01 -0.04 0.00 -2.08 0.00 0.00 39.78 38.16 1j4g n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1j4g n VAL 69 N 0.00 0.00 -2.54 3.53 0.31 0.80 -4.97 118.33 115.46 1j4g n VAL 69 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1j4g n VAL 69 Cb 0.51 -1.34 -0.04 0.00 -0.91 0.00 0.00 33.84 32.06 1j4g n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1j4g s TYR 70 N -1.93 3.59 0.02 3.52 1.51 -1.17 -4.59 117.35 118.29 1j4g s TYR 70 Ca 0.00 1.56 -0.30 0.00 -1.01 0.00 0.00 57.07 57.32 1j4g s TYR 70 Cb 0.00 -3.26 -0.05 0.00 -0.11 0.00 0.00 41.96 38.54 1j4g s TYR 70 CO 0.00 -0.60 1.23 0.42 -1.11 0.00 0.00 175.55 175.49 1j4g s ILE 71 N 0.28 4.04 -0.10 2.71 1.01 -1.26 -0.61 121.20 127.27 1j4g s ILE 71 Ca 0.52 1.43 0.19 0.00 0.00 0.00 0.00 60.65 62.79 1j4g s ILE 71 Cb -0.28 -3.92 -0.29 0.00 0.01 0.00 0.00 42.46 37.99 1j4g s ILE 71 CO 0.32 0.06 0.29 0.23 0.00 0.00 0.00 174.94 175.84 1j4g n MET 72 N 4.56 0.72 -3.63 2.79 2.81 0.02 -4.90 117.12 119.48 1j4g n MET 72 Ca 0.10 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1j4g n MET 72 Cb 0.46 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1j4g n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j4g n GLY 73 N 1.52 -2.07 3.51 3.03 0.00 -1.25 -2.62 105.19 107.32 1j4g n GLY 73 Ca -0.16 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1j4g n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j4g s TYR 74 N -2.22 0.60 -0.02 1.61 1.13 -0.33 -1.71 117.35 116.40 1j4g s TYR 74 Ca 0.00 -0.92 0.03 0.00 -1.41 0.00 0.00 57.07 54.77 1j4g s TYR 74 Cb 0.00 0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.88 1j4g s TYR 74 CO 0.00 -0.95 -0.10 0.50 -2.51 0.00 0.00 175.55 172.49 1j4g s ARG 75 N -3.91 0.95 -0.16 -3.49 3.52 0.67 -0.32 118.95 116.22 1j4g s ARG 75 Ca 0.26 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1j4g s ARG 75 Cb 0.01 -0.90 0.04 0.00 -1.56 0.00 0.00 34.95 32.54 1j4g s ARG 75 CO 0.11 0.18 -0.05 0.00 -0.81 0.00 0.00 175.30 174.73 1j4g s ALA 76 N -0.03 1.41 0.00 6.12 0.00 -0.18 -1.27 121.76 127.80 1j4g s ALA 76 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1j4g s ALA 76 Cb -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1j4g s ALA 76 CO 0.00 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1j4g n GLY 77 N 4.90 3.53 1.53 0.00 0.00 -1.26 -1.90 105.19 111.99 1j4g n GLY 77 Ca -0.12 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1j4g n GLY 77 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j4g n ASP 78 N 7.34 4.52 -4.25 1.61 5.68 -1.26 -4.92 116.55 125.27 1j4g n ASP 78 Ca 0.00 -2.31 -0.33 0.00 -0.50 0.00 0.00 54.79 51.65 1j4g n ASP 78 Cb 0.00 -0.56 -0.16 0.00 -1.14 0.00 0.00 41.12 39.26 1j4g n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1j4g s THR 79 N -1.60 2.38 0.16 2.12 2.01 -0.80 0.36 115.64 120.27 1j4g s THR 79 Ca 0.51 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1j4g s THR 79 Cb 0.31 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1j4g s THR 79 CO 0.27 0.54 0.18 -0.94 -0.69 0.00 0.00 174.62 173.99 1j4g s SER 80 N 0.56 5.78 -0.09 3.53 1.04 -0.36 -1.01 113.70 123.15 1j4g s SER 80 Ca -0.12 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 1j4g s SER 80 Cb -0.16 -1.59 0.03 0.00 0.10 0.00 0.00 66.02 64.40 1j4g s SER 80 CO 0.04 0.07 -0.01 -0.31 0.98 0.00 0.00 173.24 174.01 1j4g s TYR 81 N -1.74 0.81 0.10 5.02 1.51 0.57 -1.13 117.35 122.48 1j4g s TYR 81 Ca 0.32 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 56.18 1j4g s TYR 81 Cb -0.10 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1j4g s TYR 81 CO 0.25 -0.37 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.02 1j4g s PHE 82 N 1.93 2.39 0.79 2.71 0.40 -0.43 -1.19 117.98 124.57 1j4g s PHE 82 Ca 0.05 -0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 1j4g s PHE 82 Cb -0.13 -1.33 0.07 0.00 0.51 0.00 0.00 43.02 42.14 1j4g s PHE 82 CO -0.06 0.29 1.16 -0.06 0.70 0.00 0.00 175.22 177.25 1j4g s PHE 83 N -1.00 2.09 -1.24 0.36 0.08 -1.08 0.28 117.98 117.47 1j4g s PHE 83 Ca 0.14 1.65 -0.11 0.00 0.12 0.00 0.00 56.93 58.73 1j4g s PHE 83 Cb -0.10 -3.32 0.18 0.00 -0.57 0.00 0.00 43.02 39.21 1j4g s PHE 83 CO 0.06 -2.41 1.68 -1.71 -0.10 0.00 0.00 175.22 172.74 1j4g n ASN 84 N -3.29 5.19 -3.55 1.36 4.05 -0.57 -4.54 115.26 113.91 1j4g n ASN 84 Ca 0.12 -3.07 -0.16 0.00 0.45 0.00 0.00 54.58 51.92 1j4g n ASN 84 Cb 0.51 -1.51 -0.06 0.00 1.23 0.00 0.00 39.78 39.96 1j4g n ASN 84 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1j4g s GLU 85 N 0.72 0.96 0.35 1.20 -1.05 -1.26 -4.32 118.70 115.31 1j4g s GLU 85 Ca 0.40 0.45 0.12 0.00 -0.15 0.00 0.00 54.97 55.79 1j4g s GLU 85 Cb 0.04 0.46 0.91 0.00 -0.44 0.00 0.00 34.13 35.10 1j4g s GLU 85 CO 0.01 -0.26 1.80 0.00 0.95 0.00 0.00 175.26 177.75 1j4g h ALA 86 N 3.50 1.94 -0.49 -0.84 0.00 -1.99 -0.11 119.26 121.27 1j4g h ALA 86 Ca -0.27 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1j4g h ALA 86 Cb 1.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1j4g h ALA 86 CO 0.29 -0.29 0.18 0.66 0.00 0.00 0.00 179.25 180.09 1j4g h SER 87 N 0.59 0.64 0.35 0.00 4.64 -1.97 0.12 113.55 117.92 1j4g h SER 87 Ca 0.55 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.56 1j4g h SER 87 Cb 1.10 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1j4g h SER 87 CO -0.31 0.60 -0.97 0.00 -0.87 0.00 0.00 176.83 175.27 1j4g h ALA 88 N 1.50 0.33 -0.61 5.18 0.00 -1.31 -2.09 119.26 122.26 1j4g h ALA 88 Ca 0.17 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1j4g h ALA 88 Cb 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1j4g h ALA 88 CO -0.01 0.82 0.38 1.15 0.00 0.00 0.00 179.25 181.59 1j4g h THR 89 N 0.22 1.17 -0.21 0.00 2.02 -0.67 -0.51 112.91 114.93 1j4g h THR 89 Ca -0.09 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1j4g h THR 89 Cb 1.62 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1j4g h THR 89 CO 0.17 0.17 -0.00 -0.08 0.37 0.00 0.00 175.52 176.15 1j4g h GLU 90 N 0.84 0.37 -0.85 6.66 4.57 -0.84 -2.68 114.58 122.63 1j4g h GLU 90 Ca 0.22 -0.12 0.10 0.00 -1.18 0.00 0.00 59.36 58.38 1j4g h GLU 90 Cb -0.05 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.45 1j4g h GLU 90 CO -0.04 0.57 0.55 0.00 -1.18 0.00 0.00 179.01 178.91 1j4g h ALA 91 N 0.79 1.70 0.00 2.92 0.00 -0.71 -0.63 119.26 123.34 1j4g h ALA 91 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j4g h ALA 91 Cb 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1j4g h ALA 91 CO 0.01 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1j4g n ALA 92 N -2.42 1.64 0.25 0.00 0.00 -0.26 -1.48 120.51 118.24 1j4g n ALA 92 Ca 0.15 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1j4g n ALA 92 Cb 0.33 -1.20 0.24 0.00 0.00 0.00 0.00 19.45 18.82 1j4g n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1j4g h LYS 93 N 0.00 0.00 0.00 0.00 6.56 -1.07 -3.37 116.57 118.68 1j4g h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1j4g h LYS 93 Cb 0.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1j4g h LYS 93 CO 0.00 0.00 -1.34 0.66 -2.06 0.00 0.00 179.45 176.71 1j4g n TYR 94 N -3.04 0.00 -4.32 -1.35 4.02 -0.55 -4.98 117.16 106.94 1j4g n TYR 94 Ca 0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.76 1j4g n TYR 94 Cb 0.50 -0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.54 1j4g n TYR 94 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1j4g s VAL 95 N -2.52 1.33 -1.39 -0.72 -7.23 -0.99 -4.78 120.40 104.10 1j4g s VAL 95 Ca -0.03 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1j4g s VAL 95 Cb 0.05 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.84 1j4g s VAL 95 CO 0.32 -0.51 0.00 0.49 -0.31 0.00 0.00 175.10 175.09 1j4g n PHE 96 N -0.37 -0.85 -0.02 2.82 3.72 -1.26 -4.72 117.46 116.78 1j4g n PHE 96 Ca -0.07 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.50 1j4g n PHE 96 Cb 0.62 -2.93 0.63 0.00 -0.94 0.00 0.00 39.48 36.86 1j4g n PHE 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1j4g h LYS 97 N 0.00 0.12 -0.18 -1.08 1.57 -1.86 -1.51 116.57 113.62 1j4g h LYS 97 Ca -0.33 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1j4g h LYS 97 Cb 1.12 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1j4g h LYS 97 CO 0.42 0.08 0.00 -0.40 -0.57 0.00 0.00 179.45 178.98 1j4g n ASP 98 N -4.42 1.74 -4.76 0.86 5.75 -1.26 -4.92 116.55 109.54 1j4g n ASP 98 Ca 0.09 -1.74 -0.41 0.00 -0.01 0.00 0.00 54.79 52.72 1j4g n ASP 98 Cb 0.52 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.49 1j4g n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j4g n ALA 99 N 0.38 2.34 0.09 2.12 0.00 -0.57 -4.89 120.51 119.98 1j4g n ALA 99 Ca 0.16 0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.88 1j4g n ALA 99 Cb 0.34 -2.42 -0.01 0.00 0.00 0.00 0.00 19.45 17.36 1j4g n ALA 99 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1j4g h MET 100 N 3.60 0.15 -5.60 0.00 2.86 -0.44 -3.45 114.93 112.05 1j4g h MET 100 Ca -0.49 -0.17 -0.62 0.00 -2.06 0.00 0.00 59.70 56.36 1j4g h MET 100 Cb 1.24 0.05 -0.31 0.00 0.06 0.00 0.00 31.60 32.64 1j4g h MET 100 CO 0.70 0.93 -0.86 1.03 1.06 0.00 0.00 176.91 179.77 1j4g s ARG 101 N -3.16 2.14 -0.24 1.72 1.81 -0.68 -5.03 118.95 115.51 1j4g s ARG 101 Ca -0.02 -0.74 0.02 0.00 -1.72 0.00 0.00 55.73 53.27 1j4g s ARG 101 Cb 0.10 -1.83 0.06 0.00 -0.45 0.00 0.00 34.95 32.83 1j4g s ARG 101 CO 0.82 0.30 -0.10 0.15 -0.68 0.00 0.00 175.30 175.80 1j4g s LYS 102 N -0.04 2.06 0.02 3.54 1.02 -1.26 -1.23 119.74 123.86 1j4g s LYS 102 Ca -0.04 -1.13 0.04 0.00 0.02 0.00 0.00 55.97 54.86 1j4g s LYS 102 Cb -0.13 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1j4g s LYS 102 CO 0.03 -0.54 -0.09 0.54 -0.92 0.00 0.00 175.35 174.37 1j4g s VAL 103 N 1.25 3.47 -0.26 3.17 0.11 -0.28 -4.99 120.40 122.86 1j4g s VAL 103 Ca -0.06 -0.91 -0.09 0.00 -2.93 0.00 0.00 61.98 57.99 1j4g s VAL 103 Cb -0.19 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 1j4g s VAL 103 CO -0.06 0.34 0.11 -0.89 -3.33 0.00 0.00 175.10 171.28 1j4g s THR 104 N -1.02 4.69 0.19 5.04 2.01 -1.26 -1.32 115.64 123.97 1j4g s THR 104 Ca 0.17 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1j4g s THR 104 Cb -0.11 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1j4g s THR 104 CO 0.08 0.31 1.40 -0.76 -0.69 0.00 0.00 174.62 174.96 1j4g s LEU 105 N 1.66 4.39 0.00 4.42 1.43 0.14 -4.88 118.68 125.85 1j4g s LEU 105 Ca 0.07 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 1j4g s LEU 105 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1j4g s LEU 105 CO 0.06 -0.64 0.32 -0.81 0.23 0.00 0.00 176.35 175.51 1j4g n PRO 106 N 3.00 0.35 -3.52 1.29 -0.04 -1.26 -2.76 135.00 132.06 1j4g n PRO 106 Ca 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 1j4g n PRO 106 Cb 0.41 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1j4g n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j4g s TYR 107 N 0.36 -0.39 0.89 0.54 -0.85 -1.26 -4.97 117.35 111.67 1j4g s TYR 107 Ca 0.00 0.15 -0.12 0.00 -0.52 0.00 0.00 57.07 56.58 1j4g s TYR 107 Cb 0.00 0.42 0.12 0.00 0.38 0.00 0.00 41.96 42.88 1j4g s TYR 107 CO 0.00 -0.77 1.14 -1.12 -1.52 0.00 0.00 175.55 173.28 1j4g s SER 108 N -2.72 3.72 -0.57 -0.18 0.01 -1.26 -1.52 113.70 111.18 1j4g s SER 108 Ca 0.01 0.95 -0.01 0.00 1.31 0.00 0.00 55.95 58.21 1j4g s SER 108 Cb 0.00 -1.52 0.41 0.00 0.21 0.00 0.00 66.02 65.12 1j4g s SER 108 CO -0.12 -2.42 2.02 0.61 0.41 0.00 0.00 173.24 173.74 1j4g n GLY 109 N -2.38 5.35 3.79 3.44 0.00 -1.26 -4.50 105.19 109.62 1j4g n GLY 109 Ca 0.07 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.93 1j4g n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4g s ASN 110 N -1.33 5.18 0.46 1.61 4.22 -1.26 -4.93 114.94 118.89 1j4g s ASN 110 Ca 0.56 -0.45 0.19 0.00 -2.14 0.00 0.00 52.86 51.03 1j4g s ASN 110 Cb 0.44 -1.11 1.10 0.00 1.28 0.00 0.00 41.25 42.97 1j4g s ASN 110 CO 0.00 -0.14 1.98 1.88 -2.04 0.00 0.00 177.10 178.77 1j4g h TYR 111 N 1.51 0.00 -0.29 1.54 0.05 -1.98 -1.59 116.97 116.21 1j4g h TYR 111 Ca -0.46 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.27 1j4g h TYR 111 Cb 1.25 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 1j4g h TYR 111 CO 0.58 0.21 0.00 0.93 -1.05 0.00 0.00 178.16 178.83 1j4g h GLU 112 N 0.00 0.52 -0.27 4.88 3.07 -1.97 -0.00 114.58 120.81 1j4g h GLU 112 Ca -0.00 -0.16 -0.19 0.00 -0.50 0.00 0.00 59.36 58.50 1j4g h GLU 112 Cb 0.42 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1j4g h GLU 112 CO 0.03 0.66 -0.59 0.00 -1.40 0.00 0.00 179.01 177.71 1j4g h ARG 113 N 0.31 0.86 -0.48 2.33 2.47 -1.85 -2.48 114.38 115.55 1j4g h ARG 113 Ca 0.08 -0.57 -0.10 0.00 -1.26 0.00 0.00 59.98 58.13 1j4g h ARG 113 Cb 0.43 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 1j4g h ARG 113 CO 0.01 1.20 -0.07 -0.07 0.56 0.00 0.00 179.97 181.60 1j4g h LEU 114 N 0.65 0.90 -0.53 3.04 3.38 -1.25 -1.45 115.31 120.05 1j4g h LEU 114 Ca 0.00 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1j4g h LEU 114 Cb 1.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1j4g h LEU 114 CO 0.13 1.03 0.17 1.56 0.09 0.00 0.00 178.44 181.41 1j4g h GLN 115 N 0.75 0.82 -0.48 1.13 4.20 -1.01 -0.45 115.11 120.06 1j4g h GLN 115 Ca 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1j4g h GLN 115 Cb 0.61 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1j4g h GLN 115 CO 0.04 0.76 0.21 1.15 -0.67 0.00 0.00 178.83 180.32 1j4g h THR 116 N 0.73 1.20 -0.26 -0.54 2.02 -1.36 0.14 112.91 114.85 1j4g h THR 116 Ca 0.17 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1j4g h THR 116 Cb 0.28 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1j4g h THR 116 CO -0.01 0.22 -0.08 0.00 0.37 0.00 0.00 175.52 176.02 1j4g h ALA 117 N 1.06 1.38 0.00 6.16 0.00 -0.82 -2.85 119.26 124.19 1j4g h ALA 117 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1j4g h ALA 117 Cb 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j4g h ALA 117 CO -0.02 0.42 -0.64 0.00 0.00 0.00 0.00 179.25 179.01 1j4g h ALA 118 N 1.53 0.69 -1.35 0.00 0.00 -0.81 -3.48 119.26 115.84 1j4g h ALA 118 Ca 0.08 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1j4g h ALA 118 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1j4g h ALA 118 CO 0.02 0.06 -0.26 0.41 0.00 0.00 0.00 179.25 179.48 1j4g n GLY 119 N 1.16 0.15 3.29 0.00 0.00 0.48 -4.92 105.19 105.35 1j4g n GLY 119 Ca 0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1j4g n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4g s LYS 120 N -4.25 0.61 0.15 1.61 1.02 -1.06 -5.05 119.74 112.77 1j4g s LYS 120 Ca 0.00 0.18 -0.00 0.00 0.02 0.00 0.00 55.97 56.17 1j4g s LYS 120 Cb 0.00 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 1j4g s LYS 120 CO 0.00 -0.14 0.32 0.96 -0.92 0.00 0.00 175.35 175.58 1j4g s ILE 121 N -0.62 5.27 0.37 2.17 -0.00 -1.26 -4.45 121.20 122.68 1j4g s ILE 121 Ca -0.07 -0.39 0.18 0.00 -0.00 0.00 0.00 60.65 60.37 1j4g s ILE 121 Cb -0.04 -3.70 0.37 0.00 -0.00 0.00 0.00 42.46 39.10 1j4g s ILE 121 CO 0.03 -0.05 1.69 0.03 -0.00 0.00 0.00 174.94 176.64 1j4g h ARG 122 N 2.40 0.32 -0.47 0.37 3.08 -1.95 0.67 114.38 118.80 1j4g h ARG 122 Ca -0.47 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 59.69 1j4g h ARG 122 Cb 1.18 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1j4g h ARG 122 CO 0.71 0.21 0.39 0.93 -1.07 0.00 0.00 179.97 181.14 1j4g h GLU 123 N 0.33 0.00 -0.43 0.04 3.07 -1.94 -2.25 114.58 113.40 1j4g h GLU 123 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 1j4g h GLU 123 Cb 1.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.66 1j4g h GLU 123 CO -0.48 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.22 1j4g n ASN 124 N -4.09 3.74 -4.29 1.42 3.02 0.23 -4.49 115.26 110.80 1j4g n ASN 124 Ca 0.08 -2.39 -0.37 0.00 -0.03 0.00 0.00 54.58 51.87 1j4g n ASN 124 Cb 0.59 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 39.21 1j4g n ASN 124 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j4g s ILE 125 N -1.71 3.75 0.46 2.41 -1.09 -0.85 -4.98 121.20 119.18 1j4g s ILE 125 Ca 0.37 -0.94 -0.24 0.00 -2.23 0.00 0.00 60.65 57.62 1j4g s ILE 125 Cb 0.24 -3.02 -0.09 0.00 -1.58 0.00 0.00 42.46 38.01 1j4g s ILE 125 CO 0.17 -0.03 1.13 -2.65 -1.23 0.00 0.00 174.94 172.33 1j4g n PRO 126 N 4.82 1.53 -2.69 2.79 -0.02 -1.26 -4.53 135.00 135.63 1j4g n PRO 126 Ca -0.14 0.55 -0.08 0.00 -2.02 0.00 0.00 63.50 61.81 1j4g n PRO 126 Cb 0.46 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1j4g n PRO 126 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1j4g n LEU 127 N 0.08 0.00 0.00 2.45 4.77 0.48 -4.85 117.00 119.93 1j4g n LEU 127 Ca 0.09 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1j4g n LEU 127 Cb 0.41 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1j4g n LEU 127 CO 0.56 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1j4g n GLY 128 N 2.55 2.45 0.37 -0.72 0.00 -1.26 -1.03 105.19 107.55 1j4g n GLY 128 Ca -0.04 -2.05 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 1j4g n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j4g h LEU 129 N 0.00 1.08 -1.35 0.99 3.38 -0.98 -1.99 115.31 116.44 1j4g h LEU 129 Ca 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1j4g h LEU 129 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1j4g h LEU 129 CO 0.00 0.78 -0.08 -0.65 0.09 0.00 0.00 178.44 178.58 1j4g h PRO 130 N 1.27 0.34 -0.23 1.13 0.11 -1.76 -0.68 132.00 132.17 1j4g h PRO 130 Ca 0.34 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 66.23 1j4g h PRO 130 Cb -0.14 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1j4g h PRO 130 CO -0.07 0.43 -0.47 0.00 -0.21 0.00 0.00 178.00 177.68 1j4g h ALA 131 N 1.60 0.75 -0.39 -0.75 0.00 -1.66 -2.05 119.26 116.76 1j4g h ALA 131 Ca 0.07 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1j4g h ALA 131 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1j4g h ALA 131 CO 0.02 0.67 -0.11 1.25 0.00 0.00 0.00 179.25 181.07 1j4g h LEU 132 N 0.48 0.78 -0.41 0.00 5.85 -0.67 -0.18 115.31 121.16 1j4g h LEU 132 Ca 0.03 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.44 1j4g h LEU 132 Cb 1.00 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1j4g h LEU 132 CO 0.09 0.97 0.06 -0.78 -0.34 0.00 0.00 178.44 178.44 1j4g h ASP 133 N 0.58 -0.05 -0.54 1.25 3.58 -1.05 -0.46 116.42 119.72 1j4g h ASP 133 Ca 0.10 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 1j4g h ASP 133 Cb 0.64 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.78 1j4g h ASP 133 CO 0.04 0.01 0.27 0.28 -2.88 0.00 0.00 179.24 176.97 1j4g h SER 134 N 0.18 0.70 -0.87 2.28 0.02 -1.13 -1.90 113.55 112.83 1j4g h SER 134 Ca 0.20 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1j4g h SER 134 Cb 0.26 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1j4g h SER 134 CO -0.28 0.62 0.46 0.00 -1.14 0.00 0.00 176.83 176.49 1j4g h ALA 135 N 1.11 1.17 -0.61 3.77 0.00 -0.54 -1.42 119.26 122.73 1j4g h ALA 135 Ca 0.19 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1j4g h ALA 135 Cb 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1j4g h ALA 135 CO -0.03 0.66 0.14 0.82 0.00 0.00 0.00 179.25 180.84 1j4g h ILE 136 N 1.22 1.25 -0.45 0.00 2.04 -0.87 -1.78 117.51 118.93 1j4g h ILE 136 Ca 0.30 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1j4g h ILE 136 Cb 0.06 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1j4g h ILE 136 CO -0.05 0.35 0.25 0.74 0.00 0.00 0.00 178.15 179.44 1j4g h THR 137 N 0.90 1.16 -0.08 -0.27 2.02 -0.90 0.76 112.91 116.49 1j4g h THR 137 Ca 0.19 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1j4g h THR 137 Cb 0.37 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1j4g h THR 137 CO 0.00 0.17 -0.25 0.74 0.37 0.00 0.00 175.52 176.55 1j4g h THR 138 N 0.59 1.22 0.06 3.16 2.02 -1.09 -1.50 112.91 117.36 1j4g h THR 138 Ca 0.16 -1.03 -0.27 0.00 0.77 0.00 0.00 66.41 66.04 1j4g h THR 138 Cb 0.05 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1j4g h THR 138 CO -0.03 0.31 -1.40 -0.07 0.37 0.00 0.00 175.52 174.70 1j4g h LEU 139 N 0.13 0.21 -0.67 2.58 3.38 -1.00 -3.01 115.31 116.94 1j4g h LEU 139 Ca 0.02 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1j4g h LEU 139 Cb 0.52 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1j4g h LEU 139 CO 0.04 1.24 -0.07 0.15 0.09 0.00 0.00 178.44 179.88 1j4g h PHE 140 N 0.04 1.06 -2.25 1.13 3.57 -0.67 -2.81 116.94 117.01 1j4g h PHE 140 Ca -0.18 -0.20 -0.75 0.00 3.53 0.00 0.00 57.97 60.38 1j4g h PHE 140 Cb 1.94 -0.27 -0.31 0.00 2.79 0.00 0.00 35.95 40.10 1j4g h PHE 140 CO 0.03 0.98 0.56 0.66 -2.23 0.00 0.00 178.31 178.31 1j4g n TYR 141 N -4.16 3.14 -1.23 0.41 4.01 -0.58 -4.96 117.16 113.79 1j4g n TYR 141 Ca 0.02 -2.96 -0.50 0.00 -0.16 0.00 0.00 57.90 54.30 1j4g n TYR 141 Cb 0.37 -0.99 -0.08 0.00 -0.31 0.00 0.00 39.34 38.33 1j4g n TYR 141 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1j4g n TYR 142 N -0.13 1.22 -3.96 -0.72 9.36 -1.06 -4.82 117.16 117.04 1j4g n TYR 142 Ca 0.43 0.80 -0.30 0.00 3.32 0.00 0.00 57.90 62.14 1j4g n TYR 142 Cb 0.30 -1.70 -0.16 0.00 -0.63 0.00 0.00 39.34 37.16 1j4g n TYR 142 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1j4g s ASN 143 N 2.84 3.73 0.39 2.98 2.47 -1.23 -5.03 114.94 121.09 1j4g s ASN 143 Ca 0.82 -1.09 0.15 0.00 0.42 0.00 0.00 52.86 53.16 1j4g s ASN 143 Cb -1.13 -1.21 1.00 0.00 -1.45 0.00 0.00 41.25 38.45 1j4g s ASN 143 CO 0.59 -0.20 1.84 0.00 -3.72 0.00 0.00 177.10 175.60 1j4g h ALA 144 N 7.95 2.08 -0.00 1.71 0.00 -1.94 -1.38 119.26 127.69 1j4g h ALA 144 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1j4g h ALA 144 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1j4g h ALA 144 CO 0.43 -0.39 -0.10 0.09 0.00 0.00 0.00 179.25 179.28 1j4g n ASN 145 N -4.56 0.27 0.00 0.00 3.02 -1.26 -3.62 115.26 109.11 1j4g n ASN 145 Ca 0.20 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1j4g n ASN 145 Cb 0.67 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1j4g n ASN 145 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1j4g n SER 146 N -1.19 0.82 -0.11 6.41 3.41 -0.62 -4.81 113.62 117.53 1j4g n SER 146 Ca 0.12 -0.93 -0.10 0.00 -0.26 0.00 0.00 58.87 57.69 1j4g n SER 146 Cb 0.29 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1j4g n SER 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j4g h ALA 147 N 0.00 0.44 -0.20 7.33 0.00 -1.37 -3.05 119.26 122.41 1j4g h ALA 147 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1j4g h ALA 147 Cb 0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1j4g h ALA 147 CO 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 179.25 179.23 1j4g h ALA 148 N 0.88 -0.05 -0.90 0.00 0.00 -1.87 0.11 119.26 117.43 1j4g h ALA 148 Ca 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1j4g h ALA 148 Cb 0.38 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1j4g h ALA 148 CO 0.01 -0.61 0.54 1.03 0.00 0.00 0.00 179.25 180.22 1j4g h SER 149 N -0.19 1.09 -0.31 0.00 0.87 -1.83 -2.54 113.55 110.64 1j4g h SER 149 Ca 0.12 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 1j4g h SER 149 Cb 0.37 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1j4g h SER 149 CO -0.32 0.85 -0.12 0.00 -0.53 0.00 0.00 176.83 176.71 1j4g h ALA 150 N 1.29 1.03 -0.29 6.23 0.00 -1.19 -2.49 119.26 123.84 1j4g h ALA 150 Ca 0.32 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1j4g h ALA 150 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1j4g h ALA 150 CO -0.06 0.59 -0.07 -0.07 0.00 0.00 0.00 179.25 179.63 1j4g h LEU 151 N 0.66 0.44 -0.80 0.00 3.38 -0.59 0.10 115.31 118.51 1j4g h LEU 151 Ca 0.11 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1j4g h LEU 151 Cb 0.58 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1j4g h LEU 151 CO 0.04 0.56 -0.28 0.24 0.09 0.00 0.00 178.44 179.09 1j4g h MET 152 N 0.44 0.59 -0.38 1.13 2.86 -1.04 0.47 114.93 119.01 1j4g h MET 152 Ca 0.09 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1j4g h MET 152 Cb 0.41 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1j4g h MET 152 CO 0.02 0.81 -0.02 0.28 1.06 0.00 0.00 176.91 179.06 1j4g h VAL 153 N 0.51 1.26 0.25 -2.22 2.07 -1.05 -1.63 116.25 115.44 1j4g h VAL 153 Ca 0.07 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1j4g h VAL 153 Cb 0.75 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1j4g h VAL 153 CO 0.06 0.34 -0.18 0.25 0.02 0.00 0.00 177.57 178.07 1j4g h LEU 154 N 0.49 -0.45 -0.57 2.57 5.85 -0.34 -1.60 115.31 121.26 1j4g h LEU 154 Ca 0.10 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.92 1j4g h LEU 154 Cb 0.49 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1j4g h LEU 154 CO 0.02 -0.28 0.27 0.40 -0.34 0.00 0.00 178.44 178.52 1j4g h ILE 155 N -0.42 0.90 0.00 4.05 2.04 0.01 -2.02 117.51 122.07 1j4g h ILE 155 Ca -0.02 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1j4g h ILE 155 Cb 0.37 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1j4g h ILE 155 CO 0.00 0.09 -0.34 1.56 0.00 0.00 0.00 178.15 179.47 1j4g h GLN 156 N 0.51 0.00 -0.00 2.37 4.20 -1.14 -1.38 115.11 119.66 1j4g h GLN 156 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1j4g h GLN 156 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1j4g h GLN 156 CO -0.21 0.34 -0.06 0.43 -0.67 0.00 0.00 178.83 178.66 1j4g n SER 157 N -3.70 0.21 0.00 1.46 7.64 -0.62 -2.47 113.62 116.14 1j4g n SER 157 Ca -0.01 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1j4g n SER 157 Cb 0.44 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1j4g n SER 157 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1j4g n THR 158 N -1.14 0.00 0.12 0.44 -2.24 -1.00 -4.71 114.28 105.75 1j4g n THR 158 Ca 0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1j4g n THR 158 Cb 0.25 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.00 1j4g n THR 158 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1j4g h SER 159 N 0.00 -0.42 -0.42 3.42 0.02 -1.50 0.12 113.55 114.78 1j4g h SER 159 Ca 0.00 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1j4g h SER 159 Cb 0.00 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1j4g h SER 159 CO 0.00 -0.24 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.05 1j4g h GLU 160 N -0.34 0.80 -0.39 3.45 4.39 -1.59 -1.59 114.58 119.30 1j4g h GLU 160 Ca 0.01 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 1j4g h GLU 160 Cb 0.33 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1j4g h GLU 160 CO -0.05 0.91 0.19 0.00 -1.16 0.00 0.00 179.01 178.89 1j4g h ALA 161 N 0.86 1.60 -0.23 3.43 0.00 -1.41 -1.25 119.26 122.26 1j4g h ALA 161 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1j4g h ALA 161 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j4g h ALA 161 CO 0.04 0.33 -0.47 0.00 0.00 0.00 0.00 179.25 179.14 1j4g h ALA 162 N 1.67 0.74 0.00 0.00 0.00 -0.44 -3.16 119.26 118.07 1j4g h ALA 162 Ca 0.14 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1j4g h ALA 162 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1j4g h ALA 162 CO -0.02 0.67 -0.51 0.00 0.00 0.00 0.00 179.25 179.40 1j4g h ARG 163 N 0.48 0.00 -3.85 0.00 3.08 -0.33 -3.41 114.38 110.35 1j4g h ARG 163 Ca 0.03 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.64 1j4g h ARG 163 Cb 1.01 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.69 1j4g h ARG 163 CO 0.09 0.51 -0.77 0.71 -1.07 0.00 0.00 179.97 179.44 1j4g s TYR 164 N -3.39 0.78 0.38 3.04 2.02 -0.57 -0.65 117.35 118.97 1j4g s TYR 164 Ca 0.01 -0.24 0.07 0.00 -0.37 0.00 0.00 57.07 56.54 1j4g s TYR 164 Cb 0.10 -0.81 0.81 0.00 -0.40 0.00 0.00 41.96 41.67 1j4g s TYR 164 CO 0.72 -0.31 1.98 0.87 -1.57 0.00 0.00 175.55 177.25 1j4g h LYS 165 N 7.99 0.64 -0.63 -0.62 1.57 -1.48 -1.33 116.57 122.71 1j4g h LYS 165 Ca -0.26 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1j4g h LYS 165 Cb 1.13 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1j4g h LYS 165 CO 0.34 0.42 0.10 0.35 -0.57 0.00 0.00 179.45 180.09 1j4g h PHE 166 N 0.66 1.12 -0.35 -1.35 3.57 -1.87 -0.30 116.94 118.42 1j4g h PHE 166 Ca 0.27 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1j4g h PHE 166 Cb 0.24 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1j4g h PHE 166 CO -0.00 0.95 -0.04 0.82 -2.23 0.00 0.00 178.31 177.81 1j4g h ILE 167 N 0.96 1.27 -0.20 1.41 1.08 -1.61 -0.69 117.51 119.73 1j4g h ILE 167 Ca 0.19 -1.06 0.04 0.00 -0.39 0.00 0.00 64.86 63.65 1j4g h ILE 167 Cb 0.44 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 1j4g h ILE 167 CO 0.01 0.35 -0.07 -0.08 -0.69 0.00 0.00 178.15 177.67 1j4g h GLU 168 N 0.44 -0.03 -0.51 2.37 4.81 -1.12 -0.64 114.58 119.91 1j4g h GLU 168 Ca 0.09 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1j4g h GLU 168 Cb 0.52 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1j4g h GLU 168 CO 0.03 -0.02 0.17 0.37 -0.73 0.00 0.00 179.01 178.83 1j4g h GLN 169 N -0.03 0.78 -0.62 1.92 -0.00 -0.91 0.16 115.11 116.41 1j4g h GLN 169 Ca 0.10 -0.16 -0.09 0.00 -0.00 0.00 0.00 58.65 58.50 1j4g h GLN 169 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 1j4g h GLN 169 CO -0.23 0.71 0.02 1.96 0.00 0.00 0.00 178.83 181.30 1j4g h GLN 170 N 0.69 1.08 -0.13 1.69 1.08 -0.87 -0.80 115.11 117.83 1j4g h GLN 170 Ca 0.17 -0.33 -0.23 0.00 -1.45 0.00 0.00 58.65 56.81 1j4g h GLN 170 Cb 0.25 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1j4g h GLN 170 CO -0.01 1.04 -0.80 0.82 -0.95 0.00 0.00 178.83 178.93 1j4g h ILE 171 N 0.98 1.28 0.00 2.54 2.04 -0.97 -3.24 117.51 120.14 1j4g h ILE 171 Ca 0.18 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1j4g h ILE 171 Cb 0.54 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1j4g h ILE 171 CO 0.03 0.63 0.00 1.23 0.00 0.00 0.00 178.15 180.04 1j4g h GLY 172 N 0.51 0.00 2.00 5.37 0.00 -0.78 -2.70 103.07 107.47 1j4g h GLY 172 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1j4g h GLY 172 CO 0.16 0.00 -0.62 1.70 0.00 0.00 0.00 176.54 177.79 1j4g h LYS 173 N 0.00 0.00 -5.09 4.80 3.64 -1.17 -3.37 116.57 115.38 1j4g h LYS 173 Ca 0.00 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.68 1j4g h LYS 173 Cb 0.54 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.20 1j4g h LYS 173 CO 0.00 0.62 1.33 1.03 -2.27 0.00 0.00 179.45 180.16 1j4g s ARG 174 N -3.51 3.89 -0.06 1.90 3.00 -1.02 -4.78 118.95 118.38 1j4g s ARG 174 Ca -0.01 -2.15 -0.16 0.00 0.00 0.00 0.00 55.73 53.42 1j4g s ARG 174 Cb 0.12 -5.11 -0.30 0.00 0.00 0.00 0.00 34.95 29.66 1j4g s ARG 174 CO 0.76 -1.87 0.72 0.28 0.00 0.00 0.00 175.30 175.19 1j4g h VAL 175 N 5.30 1.14 -0.14 3.52 2.07 -1.82 0.62 116.25 126.94 1j4g h VAL 175 Ca 0.28 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1j4g h VAL 175 Cb 0.93 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1j4g h VAL 175 CO 1.25 0.76 0.00 0.47 0.02 0.00 0.00 177.57 180.07 1j4g n ASP 176 N -3.85 2.22 -4.20 0.57 10.43 -1.26 -4.37 116.55 116.08 1j4g n ASP 176 Ca -0.21 -1.79 -0.12 0.00 2.57 0.00 0.00 54.79 55.24 1j4g n ASP 176 Cb 0.96 -0.09 -0.10 0.00 1.84 0.00 0.00 41.12 43.73 1j4g n ASP 176 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1j4g s LYS 177 N -0.86 1.07 0.51 -1.24 -0.14 -1.26 -4.97 119.74 112.85 1j4g s LYS 177 Ca 0.11 -1.52 0.07 0.00 -1.36 0.00 0.00 55.97 53.26 1j4g s LYS 177 Cb 0.06 0.01 0.07 0.00 -1.68 0.00 0.00 37.83 36.29 1j4g s LYS 177 CO 0.08 -0.23 0.56 0.25 -0.76 0.00 0.00 175.35 175.26 1j4g n THR 178 N -0.20 0.00 -3.56 2.17 -2.24 -1.26 -4.31 114.28 104.88 1j4g n THR 178 Ca -0.05 -1.86 -0.14 0.00 -2.27 0.00 0.00 64.05 59.74 1j4g n THR 178 Cb 0.64 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1j4g n THR 178 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1j4g s PHE 179 N -2.36 -0.51 -0.01 4.78 -0.71 -0.19 -4.93 117.98 114.05 1j4g s PHE 179 Ca 0.43 0.90 -0.26 0.00 -1.04 0.00 0.00 56.93 56.96 1j4g s PHE 179 Cb -0.03 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 1j4g s PHE 179 CO 0.27 -0.46 0.79 -0.51 -1.34 0.00 0.00 175.22 173.98 1j4g s LEU 180 N -1.06 4.38 0.49 -1.99 1.43 -1.26 -0.39 118.68 120.28 1j4g s LEU 180 Ca -0.06 1.40 -0.23 0.00 -1.03 0.00 0.00 54.13 54.21 1j4g s LEU 180 Cb -0.01 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 42.89 1j4g s LEU 180 CO 0.05 -0.11 1.34 -2.16 0.23 0.00 0.00 176.35 175.70 1j4g s PRO 181 N 0.56 3.47 0.76 1.29 0.04 -1.26 -4.97 135.00 134.90 1j4g s PRO 181 Ca 0.42 2.19 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 1j4g s PRO 181 Cb -0.19 -2.44 0.05 0.00 0.04 0.00 0.00 34.50 31.96 1j4g s PRO 181 CO 0.22 -0.91 1.08 -1.54 0.04 0.00 0.00 177.00 175.89 1j4g s SER 182 N -0.89 4.77 0.52 6.66 1.04 -1.26 -4.91 113.70 119.63 1j4g s SER 182 Ca 0.66 1.47 0.18 0.00 0.48 0.00 0.00 55.95 58.75 1j4g s SER 182 Cb -0.39 -2.26 1.31 0.00 0.10 0.00 0.00 66.02 64.78 1j4g s SER 182 CO 0.48 -1.81 2.12 -0.07 0.98 0.00 0.00 173.24 174.93 1j4g h LEU 183 N -0.98 0.00 -0.45 2.42 3.38 -1.94 -1.46 115.31 116.28 1j4g h LEU 183 Ca -0.46 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.53 1j4g h LEU 183 Cb 1.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1j4g h LEU 183 CO 0.57 0.00 0.27 0.00 0.09 0.00 0.00 178.44 179.38 1j4g h ALA 184 N 1.94 0.57 -0.30 1.53 0.00 -1.78 0.79 119.26 122.01 1j4g h ALA 184 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j4g h ALA 184 Cb 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1j4g h ALA 184 CO -0.00 -0.03 0.18 0.82 0.00 0.00 0.00 179.25 180.22 1j4g h ILE 185 N 0.55 1.05 -0.66 0.00 5.03 -1.58 -0.17 117.51 121.73 1j4g h ILE 185 Ca 0.18 -0.13 -0.05 0.00 -0.12 0.00 0.00 64.86 64.74 1j4g h ILE 185 Cb -0.01 0.64 -0.03 0.00 -3.03 0.00 0.00 36.82 34.39 1j4g h ILE 185 CO -0.07 0.07 0.23 0.40 -0.68 0.00 0.00 178.15 178.09 1j4g h ILE 186 N 0.38 1.24 -0.32 -0.67 5.03 -1.29 -1.76 117.51 120.11 1j4g h ILE 186 Ca 0.12 -0.79 -0.02 0.00 -0.12 0.00 0.00 64.86 64.04 1j4g h ILE 186 Cb -0.01 0.49 -0.01 0.00 -3.03 0.00 0.00 36.82 34.26 1j4g h ILE 186 CO -0.05 0.31 0.11 -1.28 -0.68 0.00 0.00 178.15 176.57 1j4g h SER 187 N 0.96 0.46 -0.42 1.72 0.87 -0.42 -1.44 113.55 115.29 1j4g h SER 187 Ca 0.22 -0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1j4g h SER 187 Cb 0.24 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1j4g h SER 187 CO -0.01 0.53 0.27 -0.07 -0.53 0.00 0.00 176.83 177.02 1j4g h LEU 188 N 0.37 0.47 0.18 2.23 3.38 -0.75 0.92 115.31 122.10 1j4g h LEU 188 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1j4g h LEU 188 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1j4g h LEU 188 CO -0.01 0.34 -0.15 -0.33 0.09 0.00 0.00 178.44 178.38 1j4g h GLU 189 N 0.56 -0.33 -0.17 1.13 5.08 -1.13 -1.92 114.58 117.79 1j4g h GLU 189 Ca 0.15 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1j4g h GLU 189 Cb -0.06 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1j4g h GLU 189 CO -0.04 -0.22 -0.21 -0.91 -1.00 0.00 0.00 179.01 176.63 1j4g h ASN 190 N -0.35 0.29 0.03 1.42 2.35 -1.04 -3.07 115.58 115.20 1j4g h ASN 190 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1j4g h ASN 190 Cb 0.32 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1j4g h ASN 190 CO -0.02 0.51 -0.05 -1.20 -1.65 0.00 0.00 177.43 175.02 1j4g n SER 191 N -4.19 1.59 -0.03 5.81 7.64 0.30 -4.46 113.62 120.28 1j4g n SER 191 Ca -0.01 -1.45 -0.08 0.00 1.01 0.00 0.00 58.87 58.34 1j4g n SER 191 Cb 0.34 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 1j4g n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1j4g h TRP 192 N 2.40 -0.37 -0.07 1.43 7.01 -1.25 0.17 115.95 125.27 1j4g h TRP 192 Ca 0.00 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.06 1j4g h TRP 192 Cb 0.56 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.77 1j4g h TRP 192 CO 0.00 -0.22 -0.14 1.03 -2.79 0.00 0.00 178.44 176.32 1j4g h SER 193 N -0.15 -0.43 -0.70 2.65 0.87 -1.82 -0.57 113.55 113.39 1j4g h SER 193 Ca 0.12 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1j4g h SER 193 Cb 0.32 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 1j4g h SER 193 CO -0.29 -0.19 0.20 0.00 -0.53 0.00 0.00 176.83 176.02 1j4g h ALA 194 N 0.81 1.01 -0.08 6.23 0.00 -1.77 -2.41 119.26 123.05 1j4g h ALA 194 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1j4g h ALA 194 Cb 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j4g h ALA 194 CO -0.19 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 180.96 1j4g h LEU 195 N 1.07 0.14 -0.24 0.00 5.85 -0.36 -1.53 115.31 120.24 1j4g h LEU 195 Ca 0.23 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1j4g h LEU 195 Cb 0.33 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1j4g h LEU 195 CO -0.00 0.42 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.08 1j4g h SER 196 N -0.14 -0.53 -0.90 1.25 0.87 -1.08 -0.34 113.55 112.67 1j4g h SER 196 Ca 0.02 0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1j4g h SER 196 Cb 0.35 0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 62.53 1j4g h SER 196 CO 0.00 -0.20 0.58 0.11 -0.53 0.00 0.00 176.83 176.80 1j4g h LYS 197 N -0.15 0.98 -0.00 2.24 1.57 -1.31 -0.25 116.57 119.65 1j4g h LYS 197 Ca 0.13 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1j4g h LYS 197 Cb 0.35 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1j4g h LYS 197 CO -0.33 0.65 -0.54 1.96 -0.57 0.00 0.00 179.45 180.62 1j4g h GLN 198 N 1.01 0.00 -0.29 3.15 1.08 -0.21 -0.24 115.11 119.62 1j4g h GLN 198 Ca 0.39 -0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.41 1j4g h GLN 198 Cb 0.22 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1j4g h GLN 198 CO -0.15 0.54 -0.53 0.82 -0.95 0.00 0.00 178.83 178.56 1j4g h ILE 199 N 0.00 1.28 -0.23 2.54 2.04 0.40 0.45 117.51 123.99 1j4g h ILE 199 Ca -0.01 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.12 1j4g h ILE 199 Cb 0.95 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1j4g h ILE 199 CO 0.07 0.56 0.07 1.56 0.00 0.00 0.00 178.15 180.41 1j4g h GLN 200 N 0.67 0.35 -0.41 2.37 4.20 -0.88 -2.71 115.11 118.69 1j4g h GLN 200 Ca 0.02 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1j4g h GLN 200 Cb 1.13 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 1j4g h GLN 200 CO 0.12 0.44 -0.03 0.82 -0.67 0.00 0.00 178.83 179.51 1j4g h ILE 201 N 0.19 1.23 -0.24 2.54 2.04 -0.91 -2.32 117.51 120.05 1j4g h ILE 201 Ca 0.07 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1j4g h ILE 201 Cb 0.24 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1j4g h ILE 201 CO -0.00 0.34 0.16 0.00 0.00 0.00 0.00 178.15 178.65 1j4g h ALA 202 N 1.33 1.98 0.00 1.87 0.00 0.21 0.23 119.26 124.87 1j4g h ALA 202 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1j4g h ALA 202 Cb 0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j4g h ALA 202 CO 0.02 -0.02 -0.13 0.66 0.00 0.00 0.00 179.25 179.79 1j4g h SER 203 N 0.20 0.00 -0.20 0.00 4.64 -1.12 0.27 113.55 117.33 1j4g h SER 203 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1j4g h SER 203 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1j4g h SER 203 CO -0.02 0.13 0.00 0.35 -0.87 0.00 0.00 176.83 176.42 1j4g n THR 204 N -3.65 0.25 -2.30 2.95 -2.24 0.76 -4.26 114.28 105.80 1j4g n THR 204 Ca -0.02 -0.53 -0.06 0.00 -2.27 0.00 0.00 64.05 61.17 1j4g n THR 204 Cb 0.25 0.91 0.06 0.00 -2.10 0.00 0.00 70.33 69.45 1j4g n THR 204 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j4g n ASN 205 N 1.03 2.58 -3.85 3.42 4.05 -0.42 -4.99 115.26 117.07 1j4g n ASN 205 Ca 0.17 -2.91 -0.29 0.00 0.45 0.00 0.00 54.58 52.00 1j4g n ASN 205 Cb 0.51 -0.41 0.04 0.00 1.23 0.00 0.00 39.78 41.15 1j4g n ASN 205 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1j4g n ASN 206 N -0.53 -5.02 0.00 1.20 4.05 -1.08 -2.25 115.26 111.62 1j4g n ASN 206 Ca 0.21 -0.74 0.00 0.00 0.45 0.00 0.00 54.58 54.50 1j4g n ASN 206 Cb 0.90 -4.10 0.00 0.00 1.23 0.00 0.00 39.78 37.81 1j4g n ASN 206 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1j4g n GLY 207 N -1.75 1.34 3.74 8.20 0.00 0.83 -5.04 105.19 112.51 1j4g n GLY 207 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1j4g n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j4g s GLN 208 N -0.34 3.45 0.56 1.61 -1.52 -0.95 -1.41 119.66 121.05 1j4g s GLN 208 Ca 0.00 -0.29 -0.19 0.00 -1.95 0.00 0.00 55.36 52.93 1j4g s GLN 208 Cb 0.00 -3.06 -0.05 0.00 -0.22 0.00 0.00 33.01 29.68 1j4g s GLN 208 CO 0.00 0.60 1.14 -0.06 -0.25 0.00 0.00 175.29 176.72 1j4g s PHE 209 N -0.55 2.61 -0.11 0.91 0.40 0.25 -4.23 117.98 117.26 1j4g s PHE 209 Ca 0.11 1.54 0.16 0.00 -0.60 0.00 0.00 56.93 58.14 1j4g s PHE 209 Cb -0.12 -3.32 -0.13 0.00 0.51 0.00 0.00 43.02 39.96 1j4g s PHE 209 CO 0.02 -1.70 0.87 0.93 0.70 0.00 0.00 175.22 176.04 1j4g h GLU 210 N 1.11 0.00 -4.13 0.44 5.08 -1.88 -3.45 114.58 111.75 1j4g h GLU 210 Ca -0.50 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.39 1j4g h GLU 210 Cb 1.27 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.16 1j4g h GLU 210 CO 0.56 0.33 -0.79 0.45 -1.00 0.00 0.00 179.01 178.57 1j4g s SER 211 N -5.88 1.66 0.54 1.42 0.15 -1.26 -5.13 113.70 105.20 1j4g s SER 211 Ca -0.02 -0.21 -0.21 0.00 0.70 0.00 0.00 55.95 56.20 1j4g s SER 211 Cb 0.09 -0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 63.69 1j4g s SER 211 CO 0.81 -0.09 1.30 -2.84 1.20 0.00 0.00 173.24 173.62 1j4g s PRO 212 N 1.35 3.22 -0.18 5.44 0.02 -1.26 -4.92 135.00 138.67 1j4g s PRO 212 Ca -0.03 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.09 1j4g s PRO 212 Cb -0.14 -2.23 0.02 0.00 0.02 0.00 0.00 34.50 32.17 1j4g s PRO 212 CO -0.03 -1.08 -0.19 0.08 -0.33 0.00 0.00 177.00 175.45 1j4g s VAL 213 N -1.39 2.16 -0.08 3.83 1.01 -0.37 -4.95 120.40 120.61 1j4g s VAL 213 Ca 0.71 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.53 1j4g s VAL 213 Cb -0.37 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1j4g s VAL 213 CO 0.43 0.53 0.75 -0.69 0.00 0.00 0.00 175.10 176.12 1j4g s VAL 214 N 1.23 5.00 0.20 2.92 1.01 -1.26 -0.55 120.40 128.95 1j4g s VAL 214 Ca 0.03 1.53 0.04 0.00 0.00 0.00 0.00 61.98 63.58 1j4g s VAL 214 Cb -0.13 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1j4g s VAL 214 CO -0.11 0.20 -0.05 -0.76 0.00 0.00 0.00 175.10 174.38 1j4g s LEU 215 N 1.12 2.36 -0.18 3.92 1.43 0.12 -4.97 118.68 122.47 1j4g s LEU 215 Ca 0.39 -1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 52.31 1j4g s LEU 215 Cb -0.18 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 1j4g s LEU 215 CO 0.18 -0.41 0.01 -0.63 0.23 0.00 0.00 176.35 175.72 1j4g s ILE 216 N -3.34 4.14 0.61 -0.59 1.01 -1.26 0.46 121.20 122.23 1j4g s ILE 216 Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1j4g s ILE 216 Cb 0.04 -2.86 0.12 0.00 0.01 0.00 0.00 42.46 39.77 1j4g s ILE 216 CO 0.06 0.45 0.84 -0.46 0.00 0.00 0.00 174.94 175.82 1j4g n ASN 217 N 3.89 1.19 0.29 3.58 0.23 0.22 -4.33 115.26 120.33 1j4g n ASN 217 Ca -0.17 -1.99 0.17 0.00 -0.53 0.00 0.00 54.58 52.06 1j4g n ASN 217 Cb 0.52 -0.54 0.96 0.00 -2.08 0.00 0.00 39.78 38.65 1j4g n ASN 217 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j4g h ALA 218 N -0.53 1.46 -0.47 -2.53 0.00 -1.96 0.96 119.26 116.20 1j4g h ALA 218 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1j4g h ALA 218 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1j4g h ALA 218 CO 0.30 -0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.51 1j4g n GLN 219 N -3.61 2.63 -1.84 0.00 3.00 -1.26 -4.90 117.38 111.40 1j4g n GLN 219 Ca -0.02 -1.91 -0.13 0.00 -0.01 0.00 0.00 57.00 54.93 1j4g n GLN 219 Cb 0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 30.24 28.77 1j4g n GLN 219 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1j4g n ASN 220 N 0.80 -4.28 -4.84 1.08 3.02 0.33 -5.00 115.26 106.37 1j4g n ASN 220 Ca 0.17 0.14 -0.37 0.00 -0.03 0.00 0.00 54.58 54.49 1j4g n ASN 220 Cb 0.57 -3.21 -0.06 0.00 -0.61 0.00 0.00 39.78 36.47 1j4g n ASN 220 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1j4g s GLN 221 N -3.92 3.79 -0.58 3.52 -0.21 -1.25 -4.81 119.66 116.20 1j4g s GLN 221 Ca 0.00 0.18 -0.26 0.00 0.02 0.00 0.00 55.36 55.30 1j4g s GLN 221 Cb 0.00 -3.23 0.04 0.00 1.00 0.00 0.00 33.01 30.81 1j4g s GLN 221 CO 0.00 0.67 1.06 0.50 -2.12 0.00 0.00 175.29 175.40 1j4g s ARG 222 N -0.87 3.39 0.30 2.91 3.52 -1.26 -0.61 118.95 126.32 1j4g s ARG 222 Ca 0.20 -0.08 0.11 0.00 -0.13 0.00 0.00 55.73 55.83 1j4g s ARG 222 Cb -0.15 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.14 1j4g s ARG 222 CO 0.09 -1.62 -0.14 0.08 -0.81 0.00 0.00 175.30 172.90 1j4g s VAL 223 N 4.46 2.56 -0.09 7.11 1.01 0.17 -4.96 120.40 130.67 1j4g s VAL 223 Ca 0.35 -2.28 0.04 0.00 0.00 0.00 0.00 61.98 60.10 1j4g s VAL 223 Cb -0.10 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1j4g s VAL 223 CO 0.21 -0.34 -0.22 -0.89 0.00 0.00 0.00 175.10 173.86 1j4g s THR 224 N -2.51 1.87 -0.19 3.92 2.01 -1.26 0.13 115.64 119.61 1j4g s THR 224 Ca 0.31 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.28 1j4g s THR 224 Cb -0.03 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1j4g s THR 224 CO 0.16 0.52 0.21 -0.63 -0.69 0.00 0.00 174.62 174.19 1j4g s ILE 225 N 0.37 5.35 0.00 1.82 1.09 0.29 -4.91 121.20 125.21 1j4g s ILE 225 Ca -0.17 0.35 0.00 0.00 -1.10 0.00 0.00 60.65 59.73 1j4g s ILE 225 Cb -0.17 -3.55 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1j4g s ILE 225 CO 0.08 0.40 0.12 0.35 -0.10 0.00 0.00 174.94 175.78 1j4g n THR 226 N 3.70 0.00 -3.72 2.92 -2.24 -1.26 -1.24 114.28 112.45 1j4g n THR 226 Ca -0.14 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1j4g n THR 226 Cb 0.52 1.39 -0.04 0.00 -2.10 0.00 0.00 70.33 70.10 1j4g n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j4g s ASN 227 N -0.14 -0.22 0.00 3.42 2.20 -1.26 -0.59 114.94 118.36 1j4g s ASN 227 Ca 0.00 -0.46 0.12 0.00 -0.94 0.00 0.00 52.86 51.58 1j4g s ASN 227 Cb 0.00 0.52 0.71 0.00 -2.00 0.00 0.00 41.25 40.48 1j4g s ASN 227 CO 0.00 -0.95 1.24 1.33 -2.94 0.00 0.00 177.10 175.78 1j4g n VAL 228 N -0.28 0.00 1.30 3.54 0.24 -0.50 -2.75 118.33 119.88 1j4g n VAL 228 Ca -0.12 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.31 1j4g n VAL 228 Cb 0.63 -0.41 0.36 0.00 -1.47 0.00 0.00 33.84 32.95 1j4g n VAL 228 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1j4g n ASP 229 N -0.77 1.70 -4.75 -1.34 8.00 -1.26 -4.46 116.55 113.67 1j4g n ASP 229 Ca 0.09 -1.43 -0.37 0.00 0.71 0.00 0.00 54.79 53.78 1j4g n ASP 229 Cb 0.04 0.08 0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1j4g n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j4g s ALA 230 N -2.17 2.71 0.36 2.24 0.00 -1.11 -4.82 121.76 118.97 1j4g s ALA 230 Ca 0.31 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.49 1j4g s ALA 230 Cb 0.20 -3.50 0.76 0.00 0.00 0.00 0.00 23.12 20.58 1j4g s ALA 230 CO 0.40 -1.22 1.96 0.78 0.00 0.00 0.00 175.76 177.68 1j4g h GLY 231 N 1.28 0.95 2.00 0.00 0.00 -1.93 -1.05 103.07 104.31 1j4g h GLY 231 Ca -0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 1j4g h GLY 231 CO 0.57 0.22 -0.11 -0.24 0.00 0.00 0.00 176.54 176.97 1j4g h VAL 232 N 0.74 0.90 0.18 4.60 3.04 -1.91 0.15 116.25 123.96 1j4g h VAL 232 Ca 0.31 -0.42 -0.31 0.00 -1.01 0.00 0.00 66.70 65.28 1j4g h VAL 232 Cb 0.28 1.24 0.02 0.00 -2.01 0.00 0.00 31.29 30.81 1j4g h VAL 232 CO -0.10 0.11 -1.49 0.58 -1.01 0.00 0.00 177.57 175.66 1j4g h VAL 233 N 0.00 1.12 0.00 1.51 2.07 -1.53 -1.45 116.25 117.97 1j4g h VAL 233 Ca -0.00 -2.54 -0.18 0.00 0.82 0.00 0.00 66.70 64.80 1j4g h VAL 233 Cb 0.23 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1j4g h VAL 233 CO 0.01 0.79 -1.22 0.71 0.02 0.00 0.00 177.57 177.89 1j4g h THR 234 N -0.03 0.75 -0.09 2.57 1.35 -1.15 -3.41 112.91 112.89 1j4g h THR 234 Ca -0.29 -2.29 -0.17 0.00 -0.55 0.00 0.00 66.41 63.12 1j4g h THR 234 Cb 1.99 2.25 -0.31 0.00 -1.73 0.00 0.00 68.15 70.35 1j4g h THR 234 CO 0.18 0.43 -0.93 -1.20 -0.25 0.00 0.00 175.52 173.74 1j4g n SER 235 N -3.03 1.39 0.00 5.36 7.64 0.50 -4.99 113.62 120.50 1j4g n SER 235 Ca -0.07 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.34 1j4g n SER 235 Cb 0.86 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1j4g n SER 235 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1j4g n ASN 236 N -0.03 0.00 -4.61 6.43 4.05 -1.22 -4.80 115.26 115.08 1j4g n ASN 236 Ca 0.10 0.00 -0.46 0.00 0.45 0.00 0.00 54.58 54.67 1j4g n ASN 236 Cb 1.00 0.17 -0.03 0.00 1.23 0.00 0.00 39.78 42.16 1j4g n ASN 236 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1j4g n ILE 237 N -1.90 1.26 -0.06 -1.44 0.13 -0.55 -1.52 119.36 115.29 1j4g n ILE 237 Ca 0.00 -0.32 0.00 0.00 -1.10 0.00 0.00 62.75 61.33 1j4g n ILE 237 Cb 0.00 -1.09 0.00 0.00 -0.84 0.00 0.00 39.64 37.71 1j4g n ILE 237 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1j4g n ALA 238 N 1.20 2.14 -3.23 1.51 0.00 0.18 -4.85 120.51 117.46 1j4g n ALA 238 Ca 0.12 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1j4g n ALA 238 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.63 1j4g n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j4g s LEU 239 N -0.60 0.78 0.00 0.00 1.43 -1.25 -4.16 118.68 114.88 1j4g s LEU 239 Ca 0.00 0.63 0.09 0.00 -1.03 0.00 0.00 54.13 53.82 1j4g s LEU 239 Cb 0.00 1.06 0.07 0.00 0.03 0.00 0.00 46.19 47.35 1j4g s LEU 239 CO 0.00 -0.11 0.78 0.18 0.23 0.00 0.00 176.35 177.43