#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dj1 s VAL 5 N 0.00 2.76 -0.26 1.96 1.01 -1.26 -4.76 120.40 119.85 1dj1 s VAL 5 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1dj1 s VAL 5 Cb 0.00 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1dj1 s VAL 5 CO 0.00 0.56 -0.01 -1.00 0.00 0.00 0.00 175.10 174.65 1dj1 s HIS 6 N -0.15 3.08 -0.25 5.22 3.76 -1.26 -5.04 115.29 120.66 1dj1 s HIS 6 Ca -0.02 -1.31 -0.11 0.00 -0.15 0.00 0.00 55.06 53.48 1dj1 s HIS 6 Cb -0.14 -2.13 -0.05 0.00 1.11 0.00 0.00 32.58 31.38 1dj1 s HIS 6 CO 0.04 -0.66 0.16 0.08 -0.85 0.00 0.00 174.74 173.51 1dj1 s VAL 7 N 1.40 5.33 0.10 -0.90 1.01 -1.26 -0.29 120.40 125.79 1dj1 s VAL 7 Ca 0.01 0.17 -0.34 0.00 0.00 0.00 0.00 61.98 61.83 1dj1 s VAL 7 Cb -0.17 -3.50 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 1dj1 s VAL 7 CO -0.02 0.33 1.66 0.00 0.00 0.00 0.00 175.10 177.07 1dj1 n ALA 8 N 4.44 1.26 -3.89 5.51 0.00 -0.44 -4.93 120.51 122.46 1dj1 n ALA 8 Ca -0.15 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 1dj1 n ALA 8 Cb 0.52 -2.40 -0.15 0.00 0.00 0.00 0.00 19.45 17.42 1dj1 n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dj1 s SER 9 N 1.78 3.99 0.24 0.00 0.15 0.40 -4.71 113.70 115.54 1dj1 s SER 9 Ca 0.82 -1.43 -0.31 0.00 0.70 0.00 0.00 55.95 55.73 1dj1 s SER 9 Cb -0.68 -1.14 -0.13 0.00 -1.71 0.00 0.00 66.02 62.36 1dj1 s SER 9 CO 0.41 -0.31 1.53 0.52 1.20 0.00 0.00 173.24 176.59 1dj1 n VAL 10 N 4.66 0.71 -1.61 4.45 0.31 -1.26 -4.33 118.33 121.27 1dj1 n VAL 10 Ca -0.07 -0.18 -0.51 0.00 -0.01 0.00 0.00 64.34 63.58 1dj1 n VAL 10 Cb 0.43 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.62 1dj1 n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1dj1 n GLU 11 N 2.50 1.38 -1.67 5.55 4.71 -1.26 -4.73 120.64 127.12 1dj1 n GLU 11 Ca 0.12 0.50 -0.43 0.00 -0.01 0.00 0.00 57.16 57.34 1dj1 n GLU 11 Cb 0.33 -2.17 -0.03 0.00 -1.01 0.00 0.00 31.44 28.55 1dj1 n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1dj1 n LYS 12 N 2.75 2.76 -1.20 3.49 4.81 -1.26 -2.01 118.16 127.51 1dj1 n LYS 12 Ca 0.18 1.01 -0.07 0.00 -0.87 0.00 0.00 58.31 58.56 1dj1 n LYS 12 Cb 0.21 -2.93 -0.03 0.00 0.02 0.00 0.00 35.03 32.30 1dj1 n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dj1 n GLY 13 N 4.39 0.89 3.89 3.14 0.00 -1.26 -5.05 105.19 111.20 1dj1 n GLY 13 Ca 0.19 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1dj1 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dj1 s ARG 14 N -2.38 3.55 0.00 1.61 1.81 -0.85 -5.10 118.95 117.59 1dj1 s ARG 14 Ca 0.00 -0.16 0.00 0.00 -1.72 0.00 0.00 55.73 53.85 1dj1 s ARG 14 Cb 0.00 -3.03 0.00 0.00 -0.45 0.00 0.00 34.95 31.47 1dj1 s ARG 14 CO 0.00 0.61 0.00 -1.13 -0.68 0.00 0.00 175.30 174.10 1dj1 n SER 15 N 0.79 0.69 -0.18 0.23 3.41 -1.26 -4.87 113.62 112.42 1dj1 n SER 15 Ca -0.09 -0.84 -0.01 0.00 -0.26 0.00 0.00 58.87 57.68 1dj1 n SER 15 Cb 0.52 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.55 1dj1 n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1dj1 h TYR 16 N 0.84 -0.05 -0.10 7.33 5.03 -2.00 -1.54 116.97 126.48 1dj1 h TYR 16 Ca 0.00 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 1dj1 h TYR 16 Cb 0.00 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 1dj1 h TYR 16 CO 0.00 -0.15 -0.27 0.93 -1.32 0.00 0.00 178.16 177.35 1dj1 h GLU 17 N 0.11 0.18 -0.82 1.82 3.07 -1.99 -0.18 114.58 116.78 1dj1 h GLU 17 Ca 0.29 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1dj1 h GLU 17 Cb 0.45 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 1dj1 h GLU 17 CO -0.48 0.45 0.39 -0.44 -1.40 0.00 0.00 179.01 177.52 1dj1 h ASP 18 N 0.16 1.08 1.17 1.42 3.45 -1.68 -2.63 116.42 119.39 1dj1 h ASP 18 Ca 0.03 -0.14 -0.16 0.00 0.43 0.00 0.00 57.03 57.19 1dj1 h ASP 18 Cb 0.57 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 1dj1 h ASP 18 CO 0.04 0.91 -0.78 -0.26 -1.57 0.00 0.00 179.24 177.59 1dj1 h PHE 19 N 1.17 0.00 -0.65 4.55 -1.00 -0.93 -2.90 116.94 117.18 1dj1 h PHE 19 Ca 0.28 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.08 1dj1 h PHE 19 Cb 0.12 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 1dj1 h PHE 19 CO 0.01 0.78 0.43 0.37 -1.61 0.00 0.00 178.31 178.29 1dj1 h GLN 20 N 0.00 0.83 -0.74 1.51 5.75 -0.94 0.89 115.11 122.41 1dj1 h GLN 20 Ca -0.01 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 1dj1 h GLN 20 Cb 1.57 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.90 1dj1 h GLN 20 CO 0.10 0.55 0.27 0.87 -2.65 0.00 0.00 178.83 177.97 1dj1 h LYS 21 N 0.85 1.12 -0.37 1.69 1.57 -1.28 0.13 116.57 120.27 1dj1 h LYS 21 Ca 0.24 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1dj1 h LYS 21 Cb -0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1dj1 h LYS 21 CO -0.06 0.93 -0.01 0.28 -0.57 0.00 0.00 179.45 180.03 1dj1 h VAL 22 N 1.07 1.26 -0.45 0.50 2.07 -1.05 -1.18 116.25 118.47 1dj1 h VAL 22 Ca 0.24 -1.01 0.09 0.00 0.82 0.00 0.00 66.70 66.85 1dj1 h VAL 22 Cb 0.25 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 1dj1 h VAL 22 CO -0.02 0.34 -0.14 0.22 0.02 0.00 0.00 177.57 177.99 1dj1 h TYR 23 N 0.48 -0.33 -0.30 1.57 3.20 -0.54 -2.07 116.97 118.99 1dj1 h TYR 23 Ca 0.10 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1dj1 h TYR 23 Cb 0.48 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1dj1 h TYR 23 CO 0.04 -0.23 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.33 1dj1 h ASN 24 N -0.04 0.46 -0.43 -2.11 -0.26 -0.09 -1.46 115.58 111.66 1dj1 h ASN 24 Ca 0.22 -0.11 -0.14 0.00 -0.56 0.00 0.00 56.30 55.72 1dj1 h ASN 24 Cb 0.37 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1dj1 h ASN 24 CO -0.49 0.59 -0.26 0.00 -1.06 0.00 0.00 177.43 176.22 1dj1 h ALA 25 N 1.46 0.61 -0.65 -0.83 0.00 -0.77 0.76 119.26 119.83 1dj1 h ALA 25 Ca 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1dj1 h ALA 25 Cb 0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1dj1 h ALA 25 CO 0.02 0.63 0.43 0.82 0.00 0.00 0.00 179.25 181.14 1dj1 h ILE 26 N 0.77 1.15 -0.39 0.00 2.04 -0.80 -1.93 117.51 118.34 1dj1 h ILE 26 Ca 0.09 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 1dj1 h ILE 26 Cb 0.84 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1dj1 h ILE 26 CO 0.07 0.16 -0.24 0.00 0.00 0.00 0.00 178.15 178.14 1dj1 h ALA 27 N 1.25 0.84 -0.29 1.87 0.00 -1.06 0.45 119.26 122.33 1dj1 h ALA 27 Ca 0.25 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1dj1 h ALA 27 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1dj1 h ALA 27 CO -0.07 0.64 -0.42 -0.07 0.00 0.00 0.00 179.25 179.33 1dj1 h LEU 28 N 0.69 0.76 -0.66 0.00 -0.00 -0.73 -2.05 115.31 113.31 1dj1 h LEU 28 Ca 0.09 -0.35 -0.14 0.00 -0.00 0.00 0.00 57.88 57.48 1dj1 h LEU 28 Cb 0.76 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 1dj1 h LEU 28 CO 0.06 1.08 -0.58 0.50 -0.00 0.00 0.00 178.44 179.50 1dj1 h LYS 29 N 0.57 0.28 -0.59 1.13 3.64 -0.99 -1.56 116.57 119.05 1dj1 h LYS 29 Ca 0.04 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1dj1 h LYS 29 Cb 0.96 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1dj1 h LYS 29 CO 0.09 0.78 0.38 -0.07 -2.27 0.00 0.00 179.45 178.36 1dj1 h LEU 30 N 0.21 0.66 -0.44 5.20 3.38 -0.76 -0.07 115.31 123.48 1dj1 h LEU 30 Ca -0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1dj1 h LEU 30 Cb 1.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1dj1 h LEU 30 CO 0.09 0.47 0.26 -0.09 0.09 0.00 0.00 178.44 179.26 1dj1 h ARG 31 N 0.78 0.50 -0.18 1.13 2.43 -1.18 -3.22 114.38 114.64 1dj1 h ARG 31 Ca 0.22 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.18 1dj1 h ARG 31 Cb -0.07 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1dj1 h ARG 31 CO -0.06 0.33 -0.63 1.49 -1.51 0.00 0.00 179.97 179.60 1dj1 h GLU 32 N 0.51 0.64 -2.30 0.20 4.81 -0.81 -3.35 114.58 114.28 1dj1 h GLU 32 Ca 0.18 -0.45 -0.79 0.00 -0.13 0.00 0.00 59.36 58.17 1dj1 h GLU 32 Cb 0.02 0.07 -0.24 0.00 0.63 0.00 0.00 28.75 29.23 1dj1 h GLU 32 CO -0.09 1.07 1.30 -0.25 -0.73 0.00 0.00 179.01 180.31 1dj1 n ASP 33 N -3.94 7.50 0.14 1.04 10.43 -0.08 -4.75 116.55 126.89 1dj1 n ASP 33 Ca -0.04 -3.58 0.13 0.00 2.57 0.00 0.00 54.79 53.86 1dj1 n ASP 33 Cb 0.66 -1.20 0.38 0.00 1.84 0.00 0.00 41.12 42.79 1dj1 n ASP 33 CO 0.00 0.00 0.00 -2.24 -1.07 0.00 0.00 177.20 173.89 1dj1 h ASP 34 N 4.18 0.00 1.25 -2.24 2.03 -1.74 -3.29 116.42 116.61 1dj1 h ASP 34 Ca 0.57 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.77 1dj1 h ASP 34 Cb 0.30 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.79 1dj1 h ASP 34 CO 1.25 0.00 -0.47 1.05 -1.03 0.00 0.00 179.24 180.04 1dj1 h GLU 35 N 0.00 0.00 -6.18 4.15 9.09 -1.88 -3.27 114.58 116.50 1dj1 h GLU 35 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 59.36 58.73 1dj1 h GLU 35 Cb 0.75 0.00 0.09 0.00 -1.65 0.00 0.00 28.75 27.93 1dj1 h GLU 35 CO 0.00 0.47 -0.06 0.98 0.05 0.00 0.00 179.01 180.45 1dj1 n TYR 36 N -3.33 0.57 -3.70 2.06 4.19 -1.24 0.39 117.16 116.10 1dj1 n TYR 36 Ca 0.01 0.85 -0.32 0.00 3.31 0.00 0.00 57.90 61.75 1dj1 n TYR 36 Cb 0.66 -2.13 0.04 0.00 0.49 0.00 0.00 39.34 38.40 1dj1 n TYR 36 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1dj1 n ASP 37 N 1.80 -5.30 -3.80 2.98 2.03 -1.26 -0.89 116.55 112.11 1dj1 n ASP 37 Ca 0.16 -1.02 -0.26 0.00 0.52 0.00 0.00 54.79 54.20 1dj1 n ASP 37 Cb 0.23 -3.22 0.03 0.00 -0.72 0.00 0.00 41.12 37.43 1dj1 n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1dj1 n ASN 38 N -2.60 -3.11 -0.41 1.67 5.03 -1.11 -2.47 115.26 112.27 1dj1 n ASN 38 Ca -0.10 -0.79 -0.05 0.00 0.87 0.00 0.00 54.58 54.51 1dj1 n ASN 38 Cb 0.59 -4.01 -0.02 0.00 -1.02 0.00 0.00 39.78 35.31 1dj1 n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1dj1 n TYR 39 N -4.50 0.00 0.08 3.10 4.02 0.16 -4.89 117.16 115.13 1dj1 n TYR 39 Ca -0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.66 1dj1 n TYR 39 Cb 0.60 -1.28 -0.04 0.00 -0.02 0.00 0.00 39.34 38.60 1dj1 n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1dj1 h ILE 40 N 0.00 1.50 0.00 -0.72 2.04 -0.90 -3.46 117.51 115.98 1dj1 h ILE 40 Ca -0.11 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 63.02 1dj1 h ILE 40 Cb 0.40 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1dj1 h ILE 40 CO 0.16 0.80 0.00 0.61 0.00 0.00 0.00 178.15 179.72 1dj1 n GLY 41 N 1.02 -0.08 0.68 5.37 0.00 -0.07 -4.63 105.19 107.48 1dj1 n GLY 41 Ca -0.04 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.22 1dj1 n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dj1 n TYR 42 N -0.11 0.16 0.10 1.61 4.02 -1.26 -4.48 117.16 117.21 1dj1 n TYR 42 Ca 0.00 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.90 57.70 1dj1 n TYR 42 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 1dj1 n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1dj1 h GLY 43 N 4.85 -1.16 0.14 2.72 0.00 -1.94 -1.33 103.07 106.35 1dj1 h GLY 43 Ca 0.00 0.58 0.09 0.00 0.00 0.00 0.00 47.33 47.99 1dj1 h GLY 43 CO 0.00 -0.34 -0.11 -2.55 0.00 0.00 0.00 176.54 173.54 1dj1 h PRO 44 N -0.51 -0.01 0.00 4.80 0.11 -1.87 -1.98 132.00 132.54 1dj1 h PRO 44 Ca -0.01 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 1dj1 h PRO 44 Cb 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1dj1 h PRO 44 CO -0.15 -0.01 -0.29 -0.24 -0.21 0.00 0.00 178.00 177.10 1dj1 h VAL 45 N -0.01 1.12 -0.59 3.15 3.04 -1.78 -0.54 116.25 120.63 1dj1 h VAL 45 Ca 0.20 -1.01 -0.09 0.00 -1.01 0.00 0.00 66.70 64.80 1dj1 h VAL 45 Cb 0.32 1.56 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 1dj1 h VAL 45 CO -0.44 0.28 0.03 -0.07 -1.01 0.00 0.00 177.57 176.35 1dj1 h LEU 46 N 0.00 1.01 -0.58 3.16 3.38 -0.71 0.12 115.31 121.68 1dj1 h LEU 46 Ca -0.00 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 1dj1 h LEU 46 Cb 0.53 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1dj1 h LEU 46 CO 0.04 1.05 -0.69 -0.37 0.09 0.00 0.00 178.44 178.56 1dj1 h VAL 47 N 0.93 1.46 -0.64 1.22 -1.51 -0.48 -2.38 116.25 114.85 1dj1 h VAL 47 Ca 0.17 -2.39 -0.03 0.00 -1.23 0.00 0.00 66.70 63.23 1dj1 h VAL 47 Cb 0.52 2.30 -0.03 0.00 -2.13 0.00 0.00 31.29 31.95 1dj1 h VAL 47 CO 0.03 0.67 0.29 0.00 -1.23 0.00 0.00 177.57 177.33 1dj1 h ALA 48 N 1.31 0.83 -0.28 5.19 0.00 -0.77 -1.66 119.26 123.88 1dj1 h ALA 48 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1dj1 h ALA 48 Cb 1.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1dj1 h ALA 48 CO 0.09 0.41 0.15 1.25 0.00 0.00 0.00 179.25 181.15 1dj1 h LEU 49 N 0.89 0.35 -1.37 0.00 5.85 -0.70 -0.41 115.31 119.91 1dj1 h LEU 49 Ca 0.22 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1dj1 h LEU 49 Cb 0.15 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1dj1 h LEU 49 CO -0.02 0.35 0.18 0.00 -0.34 0.00 0.00 178.44 178.61 1dj1 h ALA 50 N 1.01 1.51 -0.14 1.25 0.00 -1.20 -0.81 119.26 120.89 1dj1 h ALA 50 Ca 0.10 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1dj1 h ALA 50 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1dj1 h ALA 50 CO -0.01 0.38 -0.33 2.35 0.00 0.00 0.00 179.25 181.64 1dj1 h TRP 51 N 0.61 0.61 0.00 0.00 -0.00 -1.13 -2.90 115.95 113.13 1dj1 h TRP 51 Ca 0.15 -0.23 -0.07 0.00 -0.00 0.00 0.00 58.89 58.74 1dj1 h TRP 51 Cb 0.11 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 1dj1 h TRP 51 CO 0.01 0.95 -0.33 0.45 -0.00 0.00 0.00 178.44 179.52 1dj1 h HIS 52 N 0.09 0.00 0.00 2.65 3.86 -0.55 0.21 115.15 121.41 1dj1 h HIS 52 Ca -0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1dj1 h HIS 52 Cb 0.93 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 1dj1 h HIS 52 CO 0.10 0.33 -0.33 -0.84 0.86 0.00 0.00 177.93 178.05 1dj1 h ILE 53 N 0.00 0.58 0.00 2.45 -0.00 -1.17 -3.11 117.51 116.26 1dj1 h ILE 53 Ca -0.00 -1.77 -0.26 0.00 -0.00 0.00 0.00 64.86 62.84 1dj1 h ILE 53 Cb 0.80 2.24 -0.04 0.00 -0.00 0.00 0.00 36.82 39.82 1dj1 h ILE 53 CO 0.04 0.32 -1.39 0.28 -0.00 0.00 0.00 178.15 177.41 1dj1 h SER 54 N 0.00 0.01 0.59 2.16 0.02 -1.29 -3.25 113.55 111.78 1dj1 h SER 54 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1dj1 h SER 54 Cb 1.22 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1dj1 h SER 54 CO 0.04 1.01 0.00 0.61 -1.14 0.00 0.00 176.83 177.35 1dj1 n GLY 55 N 1.46 -1.09 0.01 -3.77 0.00 0.73 -2.76 105.19 99.77 1dj1 n GLY 55 Ca -0.09 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1dj1 n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dj1 n THR 56 N -1.65 0.31 -1.64 2.61 -2.24 -1.25 -4.69 114.28 105.74 1dj1 n THR 56 Ca 0.03 0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1dj1 n THR 56 Cb 0.19 -0.65 0.01 0.00 -2.10 0.00 0.00 70.33 67.79 1dj1 n THR 56 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1dj1 n TRP 57 N -1.56 1.46 -3.87 4.78 -0.00 -1.11 -4.23 117.44 112.91 1dj1 n TRP 57 Ca 0.06 0.54 -0.28 0.00 -0.00 0.00 0.00 57.50 57.82 1dj1 n TRP 57 Cb 0.30 -2.27 -0.16 0.00 -0.00 0.00 0.00 31.31 29.18 1dj1 n TRP 57 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1dj1 s ASP 58 N -0.69 3.07 0.28 5.87 -1.08 -0.30 -4.74 116.67 119.09 1dj1 s ASP 58 Ca 0.63 -0.81 0.22 0.00 -0.52 0.00 0.00 52.55 52.07 1dj1 s ASP 58 Cb -0.54 -0.91 1.06 0.00 -1.46 0.00 0.00 42.92 41.07 1dj1 s ASP 58 CO 0.57 -0.22 1.68 2.29 0.52 0.00 0.00 175.17 180.01 1dj1 n LYS 59 N 4.86 0.17 0.04 4.34 2.85 -1.00 -0.35 118.16 129.07 1dj1 n LYS 59 Ca -0.11 0.53 -0.13 0.00 -1.05 0.00 0.00 58.31 57.54 1dj1 n LYS 59 Cb 0.47 -1.91 -0.03 0.00 -0.65 0.00 0.00 35.03 32.91 1dj1 n LYS 59 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1dj1 h HIS 60 N 0.00 0.72 0.00 5.58 3.86 -1.95 -3.38 115.15 119.98 1dj1 h HIS 60 Ca 0.00 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1dj1 h HIS 60 Cb 0.19 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1dj1 h HIS 60 CO 0.00 1.14 0.00 -0.40 0.86 0.00 0.00 177.93 179.53 1dj1 n ASP 61 N -3.83 0.61 -2.68 2.45 5.68 -0.96 -5.01 116.55 112.80 1dj1 n ASP 61 Ca -0.06 -1.30 -0.19 0.00 -0.50 0.00 0.00 54.79 52.73 1dj1 n ASP 61 Cb 0.77 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 1dj1 n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1dj1 n ASN 62 N -0.15 -5.22 -4.91 -1.12 5.15 0.52 -4.60 115.26 104.93 1dj1 n ASN 62 Ca 0.00 -0.08 -0.27 0.00 -0.60 0.00 0.00 54.58 53.63 1dj1 n ASN 62 Cb 0.42 -4.32 0.04 0.00 -0.53 0.00 0.00 39.78 35.38 1dj1 n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1dj1 s THR 63 N -2.96 3.57 0.00 -0.44 -4.23 -1.24 -4.88 115.64 105.47 1dj1 s THR 63 Ca 0.13 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1dj1 s THR 63 Cb -0.06 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1dj1 s THR 63 CO 0.15 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1dj1 n GLY 64 N -2.69 0.94 0.00 3.99 0.00 -1.26 -1.15 105.19 105.02 1dj1 n GLY 64 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1dj1 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dj1 n GLY 65 N 0.00 0.64 0.21 -0.02 0.00 -1.26 -4.67 105.19 100.08 1dj1 n GLY 65 Ca 0.00 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1dj1 n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dj1 h SER 66 N 0.00 0.00 -0.00 1.61 4.64 -1.79 -3.38 113.55 114.63 1dj1 h SER 66 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1dj1 h SER 66 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1dj1 h SER 66 CO 0.00 0.00 -0.19 0.22 -0.87 0.00 0.00 176.83 175.99 1dj1 h TYR 67 N 0.00 -0.50 0.00 4.77 3.20 -1.86 -2.87 116.97 119.71 1dj1 h TYR 67 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1dj1 h TYR 67 Cb 0.88 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1dj1 h TYR 67 CO 0.00 -0.27 0.00 0.78 -1.64 0.00 0.00 178.16 177.03 1dj1 h GLY 68 N -0.31 0.00 -1.10 1.82 0.00 -1.75 -2.89 103.07 98.85 1dj1 h GLY 68 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.14 1dj1 h GLY 68 CO -0.18 0.00 -0.26 0.61 0.00 0.00 0.00 176.54 176.71 1dj1 n GLY 69 N -0.10 0.66 0.08 4.60 0.00 -1.08 -1.63 105.19 107.72 1dj1 n GLY 69 Ca 0.01 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.72 1dj1 n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dj1 n THR 70 N -3.26 0.76 0.31 2.61 -2.24 -1.26 -2.47 114.28 108.73 1dj1 n THR 70 Ca -0.13 0.13 0.20 0.00 -2.27 0.00 0.00 64.05 61.98 1dj1 n THR 70 Cb 0.49 -0.97 1.06 0.00 -2.10 0.00 0.00 70.33 68.82 1dj1 n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1dj1 h TYR 71 N 0.00 0.00 0.00 4.78 5.03 -1.93 -0.58 116.97 124.26 1dj1 h TYR 71 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1dj1 h TYR 71 Cb 0.41 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.69 1dj1 h TYR 71 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 178.16 176.91 1dj1 h ARG 72 N 0.00 0.00 -6.55 1.82 0.11 -1.88 -3.34 114.38 104.54 1dj1 h ARG 72 Ca 0.01 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.57 1dj1 h ARG 72 Cb 0.17 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.22 1dj1 h ARG 72 CO -0.00 0.00 0.05 -0.06 0.10 0.00 0.00 179.97 180.06 1dj1 s PHE 73 N -3.87 3.56 0.40 4.08 0.40 -0.23 -4.93 117.98 117.39 1dj1 s PHE 73 Ca -0.01 1.24 0.08 0.00 -0.60 0.00 0.00 56.93 57.64 1dj1 s PHE 73 Cb 0.11 -2.52 0.87 0.00 0.51 0.00 0.00 43.02 41.99 1dj1 s PHE 73 CO 0.48 0.29 2.01 1.57 0.70 0.00 0.00 175.22 180.28 1dj1 h LYS 74 N 3.11 0.55 -0.75 0.44 2.10 -1.87 -1.85 116.57 118.30 1dj1 h LYS 74 Ca -0.48 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.12 1dj1 h LYS 74 Cb 1.19 -0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 32.36 1dj1 h LYS 74 CO 0.66 0.37 0.41 -0.22 -2.00 0.00 0.00 179.45 178.66 1dj1 h LYS 75 N 0.57 1.04 0.09 0.07 3.64 -1.94 0.18 116.57 120.23 1dj1 h LYS 75 Ca 0.22 -0.12 -0.28 0.00 -1.27 0.00 0.00 60.65 59.21 1dj1 h LYS 75 Cb 0.17 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1dj1 h LYS 75 CO -0.06 0.77 -1.40 1.49 -2.27 0.00 0.00 179.45 177.98 1dj1 h GLU 76 N 1.05 0.19 0.00 1.90 4.81 -1.63 -3.11 114.58 117.79 1dj1 h GLU 76 Ca 0.27 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1dj1 h GLU 76 Cb 0.03 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1dj1 h GLU 76 CO -0.04 1.07 0.00 0.27 -0.73 0.00 0.00 179.01 179.58 1dj1 h PHE 77 N 0.05 0.00 -0.08 0.92 -0.00 -1.18 -2.25 116.94 114.40 1dj1 h PHE 77 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.79 1dj1 h PHE 77 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.92 1dj1 h PHE 77 CO 0.05 0.00 0.00 0.09 -0.00 0.00 0.00 178.31 178.45 1dj1 n ASN 78 N -2.32 1.73 -4.69 -0.68 5.03 0.04 -4.83 115.26 109.54 1dj1 n ASN 78 Ca 0.05 -1.62 -0.43 0.00 0.87 0.00 0.00 54.58 53.45 1dj1 n ASN 78 Cb 0.42 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 39.10 1dj1 n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1dj1 n ASP 79 N 0.35 3.84 -0.34 6.41 -0.08 -0.85 -4.85 116.55 121.03 1dj1 n ASP 79 Ca 0.18 1.01 0.19 0.00 -1.51 0.00 0.00 54.79 54.66 1dj1 n ASP 79 Cb 0.37 -1.51 0.41 0.00 2.34 0.00 0.00 41.12 42.73 1dj1 n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dj1 h PRO 80 N 7.97 0.52 0.00 -0.67 0.11 -1.90 0.37 132.00 138.40 1dj1 h PRO 80 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1dj1 h PRO 80 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1dj1 h PRO 80 CO 0.94 0.34 0.00 0.43 -0.21 0.00 0.00 178.00 179.50 1dj1 n SER 81 N -4.84 0.57 -1.15 -2.05 7.64 -1.26 -2.00 113.62 110.53 1dj1 n SER 81 Ca 0.27 0.73 0.08 0.00 1.01 0.00 0.00 58.87 60.96 1dj1 n SER 81 Cb 0.79 -0.82 0.28 0.00 -1.01 0.00 0.00 64.21 63.45 1dj1 n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dj1 n ASN 82 N -2.23 4.13 -4.73 6.43 3.02 0.13 -5.02 115.26 117.00 1dj1 n ASN 82 Ca -0.01 -2.61 -0.42 0.00 -0.03 0.00 0.00 54.58 51.52 1dj1 n ASN 82 Cb 0.08 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 1dj1 n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dj1 s ALA 83 N -2.11 3.88 0.00 5.41 0.00 -0.85 -1.77 121.76 126.32 1dj1 s ALA 83 Ca 0.42 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1dj1 s ALA 83 Cb 0.30 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1dj1 s ALA 83 CO 0.16 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1dj1 n GLY 84 N 3.54 3.10 0.07 0.00 0.00 -1.26 -4.88 105.19 105.76 1dj1 n GLY 84 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1dj1 n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dj1 n LEU 85 N 0.00 0.38 0.31 0.99 4.77 -0.73 -1.80 117.00 120.92 1dj1 n LEU 85 Ca 0.00 0.59 0.18 0.00 -0.03 0.00 0.00 56.01 56.75 1dj1 n LEU 85 Cb 0.00 -0.54 1.01 0.00 -2.33 0.00 0.00 43.42 41.56 1dj1 n LEU 85 CO 0.00 -0.43 1.15 1.56 -1.33 0.00 0.00 177.39 178.34 1dj1 h GLN 86 N 0.00 0.00 -0.44 3.23 7.50 -1.90 -1.32 115.11 122.19 1dj1 h GLN 86 Ca 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.03 1dj1 h GLN 86 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1dj1 h GLN 86 CO 0.00 0.00 -0.20 -0.91 -1.50 0.00 0.00 178.83 176.22 1dj1 h ASN 87 N 0.00 0.93 -0.13 1.46 2.35 -1.76 -1.02 115.58 117.41 1dj1 h ASN 87 Ca 0.00 -0.40 -0.14 0.00 -0.55 0.00 0.00 56.30 55.21 1dj1 h ASN 87 Cb 0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1dj1 h ASN 87 CO -0.00 1.13 -0.40 1.23 -1.65 0.00 0.00 177.43 177.73 1dj1 h GLY 88 N 0.74 0.72 1.00 2.83 0.00 -1.45 -1.83 103.07 105.08 1dj1 h GLY 88 Ca 0.10 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 1dj1 h GLY 88 CO 0.06 0.66 0.41 -2.75 0.00 0.00 0.00 176.54 174.92 1dj1 h PHE 89 N 0.54 0.86 -0.48 5.60 3.04 -1.27 -1.76 116.94 123.47 1dj1 h PHE 89 Ca 0.05 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1dj1 h PHE 89 Cb 0.93 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 1dj1 h PHE 89 CO 0.04 0.57 0.27 0.87 -2.02 0.00 0.00 178.31 178.04 1dj1 h LYS 90 N 0.90 0.66 -0.67 1.11 1.57 -1.10 -1.68 116.57 117.36 1dj1 h LYS 90 Ca 0.24 -0.07 0.14 0.00 -1.87 0.00 0.00 60.65 59.08 1dj1 h LYS 90 Cb -0.05 -0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.03 1dj1 h LYS 90 CO -0.05 0.52 0.12 0.35 -0.57 0.00 0.00 179.45 179.81 1dj1 h PHE 91 N 0.63 0.17 0.00 -1.35 3.04 -1.03 -2.29 116.94 116.10 1dj1 h PHE 91 Ca 0.17 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1dj1 h PHE 91 Cb 0.04 0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1dj1 h PHE 91 CO -0.02 -0.09 0.00 1.28 -2.02 0.00 0.00 178.31 177.45 1dj1 n LEU 92 N -5.18 0.58 -0.02 0.59 4.77 -0.69 -3.89 117.00 113.15 1dj1 n LEU 92 Ca 0.11 0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 56.56 1dj1 n LEU 92 Cb 0.40 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1dj1 n LEU 92 CO 0.13 -0.16 0.82 -0.33 -1.33 0.00 0.00 177.39 176.53 1dj1 h GLU 93 N 0.00 -0.04 -0.23 3.23 5.08 -0.72 -0.91 114.58 121.00 1dj1 h GLU 93 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1dj1 h GLU 93 Cb 0.65 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1dj1 h GLU 93 CO 0.00 -0.02 0.18 -1.00 -1.00 0.00 0.00 179.01 177.17 1dj1 h PRO 94 N -0.04 0.00 -0.03 2.33 0.13 -1.73 -1.29 132.00 131.37 1dj1 h PRO 94 Ca 0.08 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.03 1dj1 h PRO 94 Cb 0.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.31 1dj1 h PRO 94 CO -0.18 0.00 -0.70 0.82 -0.23 0.00 0.00 178.00 177.71 1dj1 h ILE 95 N 0.00 1.37 -0.76 -3.56 2.04 -1.41 -2.26 117.51 112.92 1dj1 h ILE 95 Ca 0.11 -2.05 -0.04 0.00 1.00 0.00 0.00 64.86 63.87 1dj1 h ILE 95 Cb 0.48 2.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 1dj1 h ILE 95 CO -0.00 0.62 0.30 -0.74 0.00 0.00 0.00 178.15 178.33 1dj1 h HIS 96 N 0.11 1.15 -0.75 1.37 2.76 -0.68 -0.66 115.15 118.44 1dj1 h HIS 96 Ca -0.08 -0.08 0.05 0.00 -2.20 0.00 0.00 60.37 58.06 1dj1 h HIS 96 Cb 1.37 -0.35 -0.05 0.00 1.55 0.00 0.00 27.41 29.94 1dj1 h HIS 96 CO 0.12 0.87 0.45 -0.22 -1.30 0.00 0.00 177.93 177.86 1dj1 h LYS 97 N 1.10 0.83 0.00 5.26 3.11 -1.24 -1.37 116.57 124.26 1dj1 h LYS 97 Ca 0.25 -0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 57.94 1dj1 h LYS 97 Cb 0.21 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 1dj1 h LYS 97 CO -0.02 0.55 -0.51 1.49 -2.81 0.00 0.00 179.45 178.15 1dj1 h GLU 98 N 0.85 0.00 -2.17 1.90 4.81 -0.63 -3.33 114.58 116.01 1dj1 h GLU 98 Ca 0.32 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.96 1dj1 h GLU 98 Cb 0.12 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.09 1dj1 h GLU 98 CO -0.15 0.51 -0.80 1.19 -0.73 0.00 0.00 179.01 179.02 1dj1 n PHE 99 N -3.69 1.95 0.32 0.92 3.01 -0.37 -4.96 117.46 114.63 1dj1 n PHE 99 Ca -0.01 -3.91 0.21 0.00 1.01 0.00 0.00 57.45 54.75 1dj1 n PHE 99 Cb 0.56 -0.45 1.02 0.00 -0.01 0.00 0.00 39.48 40.60 1dj1 n PHE 99 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1dj1 h PRO 100 N 4.22 0.00 0.00 -1.08 0.11 -1.39 -2.63 132.00 131.24 1dj1 h PRO 100 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1dj1 h PRO 100 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1dj1 h PRO 100 CO 0.67 0.00 -0.03 0.11 -0.21 0.00 0.00 178.00 178.54 1dj1 h TRP 101 N 0.00 0.00 -4.06 0.65 5.08 -1.93 -3.45 115.95 112.24 1dj1 h TRP 101 Ca -0.00 0.00 -0.46 0.00 1.08 0.00 0.00 58.89 59.51 1dj1 h TRP 101 Cb 0.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.35 1dj1 h TRP 101 CO 0.00 0.03 0.36 -1.50 -1.28 0.00 0.00 178.44 176.06 1dj1 s ILE 102 N -3.62 4.09 0.76 0.12 2.07 -0.99 -4.95 121.20 118.67 1dj1 s ILE 102 Ca 0.02 1.33 -0.11 0.00 -1.41 0.00 0.00 60.65 60.47 1dj1 s ILE 102 Cb 0.09 -3.55 0.05 0.00 0.13 0.00 0.00 42.46 39.17 1dj1 s ILE 102 CO 0.57 -0.25 1.09 -0.94 -1.91 0.00 0.00 174.94 173.49 1dj1 s SER 103 N -2.04 4.85 0.10 4.50 1.04 -1.26 -4.89 113.70 115.99 1dj1 s SER 103 Ca 0.64 1.34 -0.15 0.00 0.48 0.00 0.00 55.95 58.26 1dj1 s SER 103 Cb -0.13 -2.12 -0.08 0.00 0.10 0.00 0.00 66.02 63.79 1dj1 s SER 103 CO 0.17 -1.75 1.44 0.28 0.98 0.00 0.00 173.24 174.36 1dj1 h SER 104 N -0.93 0.75 -0.05 7.02 0.02 -1.92 -1.31 113.55 117.12 1dj1 h SER 104 Ca -0.46 -0.45 -0.07 0.00 -0.84 0.00 0.00 61.79 59.96 1dj1 h SER 104 Cb 1.25 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1dj1 h SER 104 CO 0.60 1.05 -0.16 1.23 -1.14 0.00 0.00 176.83 178.40 1dj1 h GLY 105 N 0.46 0.44 0.92 -3.77 0.00 -1.80 -0.02 103.07 99.29 1dj1 h GLY 105 Ca 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1dj1 h GLY 105 CO 0.07 0.28 0.09 -0.55 0.00 0.00 0.00 176.54 176.43 1dj1 h ASP 106 N 0.37 0.54 -0.22 0.19 5.19 -1.80 -2.23 116.42 118.48 1dj1 h ASP 106 Ca 0.07 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.21 1dj1 h ASP 106 Cb 0.51 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1dj1 h ASP 106 CO 0.03 0.63 -0.02 0.25 -3.12 0.00 0.00 179.24 177.01 1dj1 h LEU 107 N 0.43 0.40 -0.46 1.55 5.85 -0.82 0.16 115.31 122.42 1dj1 h LEU 107 Ca 0.11 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1dj1 h LEU 107 Cb 0.30 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1dj1 h LEU 107 CO 0.00 0.64 0.21 -0.26 -0.34 0.00 0.00 178.44 178.69 1dj1 h PHE 108 N 0.14 0.39 -0.53 1.25 0.05 -1.01 -0.80 116.94 116.43 1dj1 h PHE 108 Ca 0.06 0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.76 1dj1 h PHE 108 Cb 0.45 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.28 1dj1 h PHE 108 CO 0.04 0.18 -0.10 0.66 -0.18 0.00 0.00 178.31 178.91 1dj1 h SER 109 N 0.43 0.98 0.32 2.17 4.64 -1.38 -2.98 113.55 117.73 1dj1 h SER 109 Ca 0.21 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 61.11 1dj1 h SER 109 Cb 0.14 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1dj1 h SER 109 CO -0.16 1.09 -0.39 0.25 -0.87 0.00 0.00 176.83 176.75 1dj1 h LEU 110 N 0.88 0.11 -1.19 5.97 5.85 -0.61 -2.11 115.31 124.21 1dj1 h LEU 110 Ca 0.14 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1dj1 h LEU 110 Cb 0.66 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1dj1 h LEU 110 CO 0.05 0.50 0.55 1.23 -0.34 0.00 0.00 178.44 180.43 1dj1 h GLY 111 N 1.20 1.19 0.68 3.75 0.00 -1.00 0.56 103.07 109.46 1dj1 h GLY 111 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1dj1 h GLY 111 CO 0.06 0.37 -0.09 -1.33 0.00 0.00 0.00 176.54 175.55 1dj1 h GLY 112 N 1.06 -0.26 0.18 4.60 0.00 -1.35 -1.30 103.07 106.00 1dj1 h GLY 112 Ca 0.33 0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.87 1dj1 h GLY 112 CO -0.09 -0.10 0.14 -2.08 0.00 0.00 0.00 176.54 174.41 1dj1 h VAL 113 N -0.57 0.64 -0.69 4.60 2.07 -1.28 -1.77 116.25 119.25 1dj1 h VAL 113 Ca -0.03 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1dj1 h VAL 113 Cb 0.43 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1dj1 h VAL 113 CO 0.04 0.05 0.29 0.74 0.02 0.00 0.00 177.57 178.72 1dj1 h THR 114 N 0.28 1.24 -0.18 2.57 2.02 -0.76 -2.21 112.91 115.87 1dj1 h THR 114 Ca 0.32 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1dj1 h THR 114 Cb 0.48 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1dj1 h THR 114 CO -0.40 0.29 0.10 0.00 0.37 0.00 0.00 175.52 175.88 1dj1 h ALA 115 N 1.14 0.23 -0.06 6.16 0.00 -0.47 -1.35 119.26 124.90 1dj1 h ALA 115 Ca 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1dj1 h ALA 115 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1dj1 h ALA 115 CO -0.02 -0.24 0.01 0.28 0.00 0.00 0.00 179.25 179.27 1dj1 h VAL 116 N 0.20 0.97 -0.57 0.00 2.07 -1.22 -1.50 116.25 116.20 1dj1 h VAL 116 Ca 0.06 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1dj1 h VAL 116 Cb 0.05 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1dj1 h VAL 116 CO -0.01 0.01 -0.03 1.56 0.02 0.00 0.00 177.57 179.11 1dj1 h GLN 117 N 0.03 1.03 0.00 1.57 4.20 -1.32 0.12 115.11 120.73 1dj1 h GLN 117 Ca 0.03 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 1dj1 h GLN 117 Cb 0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1dj1 h GLN 117 CO -0.04 1.02 -0.18 0.93 -0.67 0.00 0.00 178.83 179.90 1dj1 h GLU 118 N 0.93 0.00 -0.73 1.46 4.39 -1.16 -2.49 114.58 116.98 1dj1 h GLU 118 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1dj1 h GLU 118 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1dj1 h GLU 118 CO 0.03 0.18 0.00 -1.33 -1.16 0.00 0.00 179.01 176.73 1dj1 n MET 119 N -3.23 2.05 -1.44 2.33 2.81 -0.57 -4.88 117.12 114.19 1dj1 n MET 119 Ca 0.01 -0.93 -0.08 0.00 -1.81 0.00 0.00 57.70 54.90 1dj1 n MET 119 Cb 0.48 -1.61 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 1dj1 n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1dj1 n GLN 120 N 0.18 -0.58 -0.11 0.03 1.13 -0.94 -0.86 117.38 116.24 1dj1 n GLN 120 Ca 0.08 0.69 0.00 0.00 -1.94 0.00 0.00 57.00 55.84 1dj1 n GLN 120 Cb 0.46 -4.56 0.00 0.00 0.11 0.00 0.00 30.24 26.25 1dj1 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1dj1 n GLY 121 N -1.78 -0.47 3.82 1.08 0.00 0.38 -4.71 105.19 103.51 1dj1 n GLY 121 Ca -0.08 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 1dj1 n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dj1 s PRO 122 N -1.53 3.21 0.24 1.61 0.04 -1.26 -4.66 135.00 132.65 1dj1 s PRO 122 Ca 0.00 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 61.72 1dj1 s PRO 122 Cb 0.00 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1dj1 s PRO 122 CO 0.00 -0.88 1.61 0.15 0.04 0.00 0.00 177.00 177.92 1dj1 s LYS 123 N -4.72 4.16 -0.31 4.56 -0.14 -1.26 -4.41 119.74 117.61 1dj1 s LYS 123 Ca 0.59 2.51 -0.05 0.00 -1.36 0.00 0.00 55.97 57.66 1dj1 s LYS 123 Cb -0.14 -3.08 0.04 0.00 -1.68 0.00 0.00 37.83 32.97 1dj1 s LYS 123 CO 0.48 -0.64 0.05 0.42 -0.76 0.00 0.00 175.35 174.90 1dj1 s ILE 124 N 0.59 3.47 0.43 2.17 -1.09 -1.26 -4.87 121.20 120.64 1dj1 s ILE 124 Ca 0.68 -1.13 -0.26 0.00 -2.23 0.00 0.00 60.65 57.71 1dj1 s ILE 124 Cb -0.47 -2.92 -0.09 0.00 -1.58 0.00 0.00 42.46 37.40 1dj1 s ILE 124 CO 0.39 -0.08 1.45 -2.84 -1.23 0.00 0.00 174.94 172.63 1dj1 s PRO 125 N 1.36 3.80 0.02 2.79 0.02 -1.26 -4.77 135.00 136.95 1dj1 s PRO 125 Ca -0.02 2.47 0.03 0.00 0.02 0.00 0.00 61.00 63.49 1dj1 s PRO 125 Cb -0.19 -2.74 -0.01 0.00 0.02 0.00 0.00 34.50 31.58 1dj1 s PRO 125 CO 0.01 -0.74 -0.08 -0.46 -0.33 0.00 0.00 177.00 175.39 1dj1 s TRP 126 N -1.18 0.73 -0.05 6.54 -0.00 0.37 -4.77 118.94 120.58 1dj1 s TRP 126 Ca 0.59 -0.27 0.06 0.00 -0.00 0.00 0.00 56.10 56.48 1dj1 s TRP 126 Cb -0.45 -0.45 -0.02 0.00 -0.00 0.00 0.00 33.47 32.56 1dj1 s TRP 126 CO 0.58 -0.02 -0.24 1.03 -0.00 0.00 0.00 176.95 178.30 1dj1 s ARG 127 N -0.77 2.44 0.71 5.86 0.52 -1.26 -0.70 118.95 125.75 1dj1 s ARG 127 Ca -0.01 -0.88 -0.05 0.00 -0.52 0.00 0.00 55.73 54.26 1dj1 s ARG 127 Cb -0.06 -2.17 0.09 0.00 0.52 0.00 0.00 34.95 33.33 1dj1 s ARG 127 CO 0.00 0.46 1.00 0.00 0.02 0.00 0.00 175.30 176.78 1dj1 n GLY 129 N -2.89 1.11 3.76 0.00 0.00 -1.26 -4.73 105.19 101.18 1dj1 n GLY 129 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1dj1 n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dj1 s ARG 130 N -0.12 3.60 -0.05 1.61 0.52 -1.26 -0.46 118.95 122.80 1dj1 s ARG 130 Ca 0.00 1.94 0.04 0.00 -0.52 0.00 0.00 55.73 57.19 1dj1 s ARG 130 Cb 0.00 -2.40 -0.00 0.00 0.52 0.00 0.00 34.95 33.07 1dj1 s ARG 130 CO 0.00 -0.73 -0.18 0.08 0.02 0.00 0.00 175.30 174.50 1dj1 s VAL 131 N -1.45 1.49 0.22 3.52 1.01 -1.09 -4.68 120.40 119.42 1dj1 s VAL 131 Ca 0.65 -0.75 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 1dj1 s VAL 131 Cb -0.33 -1.28 -0.12 0.00 0.00 0.00 0.00 36.38 34.66 1dj1 s VAL 131 CO 0.40 0.43 1.68 -1.81 0.00 0.00 0.00 175.10 175.79 1dj1 s ASP 132 N 0.04 6.40 0.29 3.32 -0.00 -1.26 -3.93 116.67 121.53 1dj1 s ASP 132 Ca -0.04 2.86 0.10 0.00 -0.00 0.00 0.00 52.55 55.46 1dj1 s ASP 132 Cb -0.12 -2.61 -0.05 0.00 -0.00 0.00 0.00 42.92 40.15 1dj1 s ASP 132 CO 0.02 -0.94 -0.05 0.42 -0.00 0.00 0.00 175.17 174.62 1dj1 s THR 133 N 0.94 2.94 0.85 -1.27 -4.23 -0.65 -5.00 115.64 109.22 1dj1 s THR 133 Ca 0.72 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 1dj1 s THR 133 Cb -0.49 -2.68 0.10 0.00 1.34 0.00 0.00 72.50 70.78 1dj1 s THR 133 CO 0.35 -0.33 1.09 -2.84 -0.54 0.00 0.00 174.62 172.35 1dj1 s PRO 134 N -3.64 1.66 0.43 3.99 0.02 -1.26 -4.82 135.00 131.38 1dj1 s PRO 134 Ca 0.32 1.00 0.21 0.00 0.02 0.00 0.00 61.00 62.55 1dj1 s PRO 134 Cb -0.04 -1.84 1.17 0.00 0.02 0.00 0.00 34.50 33.80 1dj1 s PRO 134 CO 0.18 -2.01 1.82 1.49 -0.33 0.00 0.00 177.00 178.15 1dj1 h GLU 135 N -1.39 0.32 0.00 5.54 4.81 -1.98 0.23 114.58 122.11 1dj1 h GLU 135 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1dj1 h GLU 135 Cb 1.26 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1dj1 h GLU 135 CO 0.53 0.21 0.00 -0.40 -0.73 0.00 0.00 179.01 178.62 1dj1 n ASP 136 N -4.50 0.00 -0.75 1.04 3.85 -1.26 -0.96 116.55 113.96 1dj1 n ASP 136 Ca 0.22 -1.02 0.13 0.00 -0.71 0.00 0.00 54.79 53.40 1dj1 n ASP 136 Cb 0.84 0.00 0.31 0.00 -1.35 0.00 0.00 41.12 40.92 1dj1 n ASP 136 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1dj1 n THR 137 N -0.90 0.09 -2.08 2.12 -2.24 0.80 -4.91 114.28 107.16 1dj1 n THR 137 Ca 0.17 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1dj1 n THR 137 Cb 0.08 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1dj1 n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1dj1 s THR 138 N -1.91 3.26 0.50 4.28 2.01 -0.14 -4.71 115.64 118.94 1dj1 s THR 138 Ca 0.34 0.79 -0.20 0.00 0.31 0.00 0.00 61.69 62.92 1dj1 s THR 138 Cb 0.20 -3.50 -0.07 0.00 0.01 0.00 0.00 72.50 69.14 1dj1 s THR 138 CO 0.31 0.02 1.09 -2.16 -0.69 0.00 0.00 174.62 173.19 1dj1 s PRO 139 N 1.98 3.62 0.76 4.92 0.04 -1.26 -5.01 135.00 140.06 1dj1 s PRO 139 Ca 0.68 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 1dj1 s PRO 139 Cb -0.37 -2.12 0.06 0.00 0.04 0.00 0.00 34.50 32.11 1dj1 s PRO 139 CO 0.30 -0.61 1.15 -0.51 0.04 0.00 0.00 177.00 177.36 1dj1 s ASP 140 N -1.80 4.19 0.83 6.66 -0.00 -1.26 -4.72 116.67 120.57 1dj1 s ASP 140 Ca 0.69 2.12 -0.12 0.00 -0.00 0.00 0.00 52.55 55.24 1dj1 s ASP 140 Cb -0.21 -2.56 0.09 0.00 -0.00 0.00 0.00 42.92 40.24 1dj1 s ASP 140 CO 0.25 -2.26 1.16 0.20 -0.00 0.00 0.00 175.17 174.53 1dj1 s ASN 141 N -2.61 3.60 0.00 0.27 0.01 -1.26 -4.32 114.94 110.64 1dj1 s ASN 141 Ca 0.68 2.20 0.00 0.00 -0.71 0.00 0.00 52.86 55.03 1dj1 s ASN 141 Cb -0.23 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.86 1dj1 s ASN 141 CO 0.50 -2.65 0.00 0.61 -1.51 0.00 0.00 177.10 174.04 1dj1 n GLY 142 N 0.08 1.01 0.01 0.66 0.00 -1.26 -4.97 105.19 100.71 1dj1 n GLY 142 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1dj1 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dj1 n ARG 143 N -1.80 0.08 -3.53 1.61 1.74 -1.26 -4.91 116.66 108.58 1dj1 n ARG 143 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1dj1 n ARG 143 Cb 0.00 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 1dj1 n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1dj1 s LEU 144 N -3.26 4.16 0.38 0.55 1.43 -1.26 -4.77 118.68 115.91 1dj1 s LEU 144 Ca 0.08 0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 53.57 1dj1 s LEU 144 Cb 0.16 -3.36 -0.10 0.00 0.03 0.00 0.00 46.19 42.92 1dj1 s LEU 144 CO 0.77 -0.09 0.88 -2.16 0.23 0.00 0.00 176.35 175.98 1dj1 s PRO 145 N -3.29 4.19 0.47 1.29 0.04 -1.26 -5.06 135.00 131.38 1dj1 s PRO 145 Ca 0.41 0.99 -0.17 0.00 0.04 0.00 0.00 61.00 62.28 1dj1 s PRO 145 Cb -0.11 -2.32 -0.08 0.00 0.04 0.00 0.00 34.50 32.02 1dj1 s PRO 145 CO 0.28 0.06 0.94 -0.51 0.04 0.00 0.00 177.00 177.82 1dj1 s ASP 146 N -2.15 6.69 -0.00 6.66 -0.00 -1.26 -5.01 116.67 121.59 1dj1 s ASP 146 Ca 0.58 1.53 0.21 0.00 -0.00 0.00 0.00 52.55 54.88 1dj1 s ASP 146 Cb -0.10 -2.49 -0.18 0.00 -0.00 0.00 0.00 42.92 40.15 1dj1 s ASP 146 CO 0.15 -0.50 0.92 0.00 -0.00 0.00 0.00 175.17 175.74 1dj1 n ALA 147 N -1.29 4.60 -0.67 5.23 0.00 -1.26 -4.50 120.51 122.63 1dj1 n ALA 147 Ca 0.06 -0.58 0.05 0.00 0.00 0.00 0.00 53.44 52.97 1dj1 n ALA 147 Cb 0.54 -0.79 0.35 0.00 0.00 0.00 0.00 19.45 19.55 1dj1 n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dj1 n ASP 148 N -1.53 5.11 -4.80 0.00 5.75 -1.26 -2.38 116.55 117.44 1dj1 n ASP 148 Ca 0.04 -2.84 -0.25 0.00 -0.01 0.00 0.00 54.79 51.73 1dj1 n ASP 148 Cb 0.34 -0.67 0.01 0.00 -1.03 0.00 0.00 41.12 39.77 1dj1 n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1dj1 n LYS 149 N 0.50 0.68 -2.16 0.11 4.76 -1.26 -4.92 118.16 115.87 1dj1 n LYS 149 Ca 0.25 -3.37 -0.09 0.00 -2.87 0.00 0.00 58.31 52.23 1dj1 n LYS 149 Cb 1.10 0.32 0.01 0.00 -1.84 0.00 0.00 35.03 34.62 1dj1 n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1dj1 n ASP 150 N -1.87 1.35 0.07 4.39 3.85 -1.26 -3.25 116.55 119.83 1dj1 n ASP 150 Ca -0.01 -1.68 -0.01 0.00 -0.71 0.00 0.00 54.79 52.38 1dj1 n ASP 150 Cb 0.62 -0.07 0.26 0.00 -1.35 0.00 0.00 41.12 40.57 1dj1 n ASP 150 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1dj1 h ALA 151 N 0.58 1.21 -0.08 2.12 0.00 -1.90 -2.03 119.26 119.15 1dj1 h ALA 151 Ca -0.12 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1dj1 h ALA 151 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1dj1 h ALA 151 CO 0.19 0.52 -0.05 0.78 0.00 0.00 0.00 179.25 180.69 1dj1 h GLY 152 N 1.03 0.03 0.48 0.00 0.00 -1.97 0.47 103.07 103.11 1dj1 h GLY 152 Ca 0.04 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.48 1dj1 h GLY 152 CO 0.05 -0.06 -0.10 -1.82 0.00 0.00 0.00 176.54 174.61 1dj1 h TYR 153 N -0.05 -0.23 -0.89 5.60 3.20 -1.90 -1.47 116.97 121.24 1dj1 h TYR 153 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1dj1 h TYR 153 Cb 0.12 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 1dj1 h TYR 153 CO -0.16 -0.15 0.51 0.28 -1.64 0.00 0.00 178.16 177.00 1dj1 h VAL 154 N -0.07 1.25 -0.22 1.81 2.07 -0.84 0.21 116.25 120.46 1dj1 h VAL 154 Ca 0.11 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1dj1 h VAL 154 Cb 0.24 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1dj1 h VAL 154 CO -0.26 0.27 0.06 -0.09 0.02 0.00 0.00 177.57 177.57 1dj1 h ARG 155 N 1.23 0.36 -0.48 1.57 2.43 -0.63 -2.43 114.38 116.43 1dj1 h ARG 155 Ca 0.32 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1dj1 h ARG 155 Cb -0.02 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1dj1 h ARG 155 CO -0.06 0.47 0.07 1.15 -1.51 0.00 0.00 179.97 180.10 1dj1 h THR 156 N 0.18 1.25 0.39 0.20 2.02 -0.92 -2.89 112.91 113.15 1dj1 h THR 156 Ca 0.07 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1dj1 h THR 156 Cb 0.27 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1dj1 h THR 156 CO 0.00 0.33 -0.50 0.15 0.37 0.00 0.00 175.52 175.87 1dj1 h PHE 157 N 0.67 -1.39 0.00 3.16 3.57 -0.43 -2.68 116.94 119.84 1dj1 h PHE 157 Ca 0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1dj1 h PHE 157 Cb 0.40 0.56 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1dj1 h PHE 157 CO 0.03 -0.64 0.00 1.19 -2.23 0.00 0.00 178.31 176.66 1dj1 n PHE 158 N -5.54 0.61 0.28 0.41 3.01 -0.93 -0.75 117.46 114.55 1dj1 n PHE 158 Ca -0.11 0.28 0.15 0.00 1.01 0.00 0.00 57.45 58.78 1dj1 n PHE 158 Cb 0.44 -0.94 0.53 0.00 -0.01 0.00 0.00 39.48 39.50 1dj1 n PHE 158 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1dj1 h GLN 159 N 0.00 0.00 0.00 -1.08 1.08 -1.25 -1.06 115.11 112.80 1dj1 h GLN 159 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1dj1 h GLN 159 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1dj1 h GLN 159 CO 0.00 0.00 0.00 -0.09 -0.95 0.00 0.00 178.83 177.79 1dj1 h ARG 160 N 0.00 0.00 -0.43 1.46 2.43 -1.01 -2.03 114.38 114.81 1dj1 h ARG 160 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dj1 h ARG 160 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1dj1 h ARG 160 CO 0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 1dj1 n LEU 161 N -2.99 3.25 -2.24 3.80 4.77 -0.54 -2.37 117.00 120.69 1dj1 n LEU 161 Ca 0.00 -2.07 -0.19 0.00 -0.03 0.00 0.00 56.01 53.73 1dj1 n LEU 161 Cb 0.27 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1dj1 n LEU 161 CO 0.25 0.78 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.73 1dj1 n ASN 162 N 0.71 -5.36 -4.72 -1.43 4.05 -0.76 -4.98 115.26 102.77 1dj1 n ASN 162 Ca 0.15 -0.08 -0.35 0.00 0.45 0.00 0.00 54.58 54.74 1dj1 n ASN 162 Cb 0.51 -4.36 -0.09 0.00 1.23 0.00 0.00 39.78 37.07 1dj1 n ASN 162 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 1dj1 s MET 163 N -5.09 3.41 0.28 1.20 -1.94 -0.52 -5.01 119.30 111.64 1dj1 s MET 163 Ca 0.08 -0.31 0.04 0.00 -1.71 0.00 0.00 55.69 53.78 1dj1 s MET 163 Cb -0.03 -3.03 0.05 0.00 2.01 0.00 0.00 34.83 33.83 1dj1 s MET 163 CO 0.09 0.59 0.39 0.27 -0.01 0.00 0.00 175.02 176.36 1dj1 n ASN 164 N 2.53 0.98 0.01 3.03 0.23 -1.26 -4.19 115.26 116.60 1dj1 n ASN 164 Ca -0.18 -1.72 -0.11 0.00 -0.53 0.00 0.00 54.58 52.03 1dj1 n ASN 164 Cb 0.54 -0.21 -0.04 0.00 -2.08 0.00 0.00 39.78 37.98 1dj1 n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1dj1 h ASP 165 N 0.02 -0.99 -0.33 0.53 5.19 -1.99 0.24 116.42 119.09 1dj1 h ASP 165 Ca -0.13 0.14 0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1dj1 h ASP 165 Cb 0.60 0.42 -0.06 0.00 0.18 0.00 0.00 39.33 40.47 1dj1 h ASP 165 CO 0.18 -0.36 -0.03 -0.09 -3.12 0.00 0.00 179.24 175.82 1dj1 h ARG 166 N -0.41 0.06 -0.57 3.56 2.43 -1.96 -0.11 114.38 117.37 1dj1 h ARG 166 Ca 0.09 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1dj1 h ARG 166 Cb 0.55 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1dj1 h ARG 166 CO -0.34 0.04 0.33 0.93 -1.51 0.00 0.00 179.97 179.42 1dj1 h GLU 167 N 0.06 0.62 -0.40 0.20 5.08 -1.83 0.24 114.58 118.56 1dj1 h GLU 167 Ca 0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1dj1 h GLU 167 Cb 0.23 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1dj1 h GLU 167 CO -0.29 0.41 0.24 0.28 -1.00 0.00 0.00 179.01 178.65 1dj1 h VAL 168 N 0.64 1.14 -0.33 3.13 2.07 -0.15 -1.03 116.25 121.71 1dj1 h VAL 168 Ca 0.24 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 1dj1 h VAL 168 Cb 0.08 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1dj1 h VAL 168 CO -0.13 0.14 -0.45 0.58 0.02 0.00 0.00 177.57 177.73 1dj1 h VAL 169 N 0.53 1.28 -0.19 2.57 2.07 -0.79 -1.98 116.25 119.74 1dj1 h VAL 169 Ca 0.14 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.06 1dj1 h VAL 169 Cb 0.01 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1dj1 h VAL 169 CO -0.03 0.54 0.04 0.00 0.02 0.00 0.00 177.57 178.14 1dj1 h ALA 170 N 0.78 0.19 -0.39 1.67 0.00 -0.79 -3.07 119.26 117.65 1dj1 h ALA 170 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1dj1 h ALA 170 Cb 1.04 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1dj1 h ALA 170 CO 0.10 -0.40 0.20 -0.07 0.00 0.00 0.00 179.25 179.08 1dj1 h LEU 171 N 0.11 0.29 -2.82 0.00 4.07 -1.12 -1.17 115.31 114.67 1dj1 h LEU 171 Ca 0.08 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1dj1 h LEU 171 Cb 0.08 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1dj1 h LEU 171 CO -0.11 0.21 0.03 -0.03 -1.08 0.00 0.00 178.44 177.46 1dj1 h MET 172 N 0.40 0.00 0.00 1.13 4.05 -1.27 -2.22 114.93 117.03 1dj1 h MET 172 Ca 0.17 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1dj1 h MET 172 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1dj1 h MET 172 CO -0.12 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.43 1dj1 n GLY 173 N -1.10 -0.79 0.14 1.39 0.00 -0.44 -1.13 105.19 103.27 1dj1 n GLY 173 Ca -0.03 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1dj1 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dj1 n ALA 174 N -1.64 1.47 1.24 4.61 0.00 -0.83 -1.80 120.51 123.56 1dj1 n ALA 174 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1dj1 n ALA 174 Cb 0.06 -1.37 0.59 0.00 0.00 0.00 0.00 19.45 18.73 1dj1 n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dj1 n HIS 175 N -2.27 0.00 0.27 0.00 8.25 -0.28 -1.07 115.22 120.12 1dj1 n HIS 175 Ca 0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.61 1dj1 n HIS 175 Cb 0.17 -0.04 0.86 0.00 1.12 0.00 0.00 29.99 32.10 1dj1 n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dj1 h ALA 176 N 3.24 1.66 -2.58 -1.41 0.00 -1.59 -3.40 119.26 115.19 1dj1 h ALA 176 Ca 0.00 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1dj1 h ALA 176 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1dj1 h ALA 176 CO 0.00 -0.07 -0.08 -0.51 0.00 0.00 0.00 179.25 178.59 1dj1 s LEU 177 N -7.90 4.30 0.00 0.00 1.43 -0.24 -4.31 118.68 111.97 1dj1 s LEU 177 Ca -0.05 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1dj1 s LEU 177 Cb 0.15 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1dj1 s LEU 177 CO 0.57 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.82 1dj1 n GLY 178 N 0.60 2.24 3.82 -3.19 0.00 -0.46 -4.89 105.19 103.31 1dj1 n GLY 178 Ca -0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 1dj1 n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dj1 s LYS 179 N 0.00 1.67 0.23 1.61 -2.85 -1.26 -4.28 119.74 114.86 1dj1 s LYS 179 Ca 0.00 -1.01 -0.01 0.00 -1.00 0.00 0.00 55.97 53.95 1dj1 s LYS 179 Cb 0.00 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 1dj1 s LYS 179 CO 0.00 -0.77 0.43 0.95 0.10 0.00 0.00 175.35 176.06 1dj1 s THR 180 N -2.88 5.16 -0.11 3.79 -4.23 0.28 -4.95 115.64 112.70 1dj1 s THR 180 Ca 0.15 -0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1dj1 s THR 180 Cb -0.04 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1dj1 s THR 180 CO 0.07 -0.23 -0.07 -1.00 -0.54 0.00 0.00 174.62 172.84 1dj1 s HIS 181 N -1.94 1.45 0.20 3.99 0.09 -0.83 -2.14 115.29 116.11 1dj1 s HIS 181 Ca 0.39 -0.72 -0.12 0.00 -0.00 0.00 0.00 55.06 54.62 1dj1 s HIS 181 Cb -0.11 -1.22 0.25 0.00 -0.00 0.00 0.00 32.58 31.51 1dj1 s HIS 181 CO 0.30 -0.51 1.68 1.25 -0.00 0.00 0.00 174.74 177.47 1dj1 h LEU 182 N 8.17 -0.16 -1.82 0.89 5.85 -1.70 -0.67 115.31 125.88 1dj1 h LEU 182 Ca -0.29 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1dj1 h LEU 182 Cb 1.13 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1dj1 h LEU 182 CO 0.40 -0.06 -0.12 0.11 -0.34 0.00 0.00 178.44 178.44 1dj1 h LYS 183 N 0.16 0.00 0.00 1.25 1.57 -1.97 0.09 116.57 117.67 1dj1 h LYS 183 Ca 0.29 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1dj1 h LYS 183 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1dj1 h LYS 183 CO -0.44 0.12 -0.18 -0.91 -0.57 0.00 0.00 179.45 177.47 1dj1 h ASN 184 N 0.00 0.00 0.00 0.86 2.35 -1.48 -3.44 115.58 113.86 1dj1 h ASN 184 Ca -0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1dj1 h ASN 184 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1dj1 h ASN 184 CO 0.02 0.86 -0.09 -1.54 -1.65 0.00 0.00 177.43 175.03 1dj1 n SER 185 N -4.65 0.47 0.00 5.81 3.41 -0.83 -4.74 113.62 113.09 1dj1 n SER 185 Ca -0.09 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1dj1 n SER 185 Cb 0.32 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 1dj1 n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dj1 n GLY 186 N 0.92 0.44 3.18 5.00 0.00 0.01 -5.04 105.19 109.70 1dj1 n GLY 186 Ca 0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 1dj1 n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dj1 s TYR 187 N -2.00 1.30 -0.05 1.61 2.02 -1.26 -4.65 117.35 114.31 1dj1 s TYR 187 Ca 0.00 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1dj1 s TYR 187 Cb 0.00 -0.74 0.03 0.00 -0.40 0.00 0.00 41.96 40.85 1dj1 s TYR 187 CO 0.00 0.07 0.05 -2.00 -1.57 0.00 0.00 175.55 172.10 1dj1 s GLU 188 N -1.56 0.04 0.00 -0.62 2.56 -1.26 -1.73 118.70 116.13 1dj1 s GLU 188 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.97 55.28 1dj1 s GLU 188 Cb -0.09 -0.65 0.00 0.00 2.00 0.00 0.00 34.13 35.38 1dj1 s GLU 188 CO 0.02 -0.34 0.00 0.41 -0.56 0.00 0.00 175.26 174.79 1dj1 n GLY 189 N 5.27 3.58 3.92 -1.50 0.00 -0.91 -4.92 105.19 110.63 1dj1 n GLY 189 Ca -0.04 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 1dj1 n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dj1 s PRO 190 N -2.65 3.01 0.21 1.61 0.04 -1.26 -0.56 135.00 135.39 1dj1 s PRO 190 Ca 0.00 0.00 0.23 0.00 0.04 0.00 0.00 61.00 61.27 1dj1 s PRO 190 Cb 0.00 -2.30 0.09 0.00 0.04 0.00 0.00 34.50 32.33 1dj1 s PRO 190 CO 0.00 -0.62 1.14 -1.49 0.04 0.00 0.00 177.00 176.07 1dj1 h TRP 191 N -0.10 0.00 -1.83 0.56 6.55 -1.74 -1.28 115.95 118.11 1dj1 h TRP 191 Ca -0.46 0.00 0.06 0.00 0.95 0.00 0.00 58.89 59.44 1dj1 h TRP 191 Cb 1.25 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.54 1dj1 h TRP 191 CO 0.49 0.00 0.19 0.41 -1.05 0.00 0.00 178.44 178.48 1dj1 n GLY 192 N 1.20 1.03 0.14 1.49 0.00 -1.26 -4.58 105.19 103.21 1dj1 n GLY 192 Ca 0.01 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 1dj1 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dj1 h ALA 193 N 2.00 0.05 -2.04 4.61 0.00 -1.95 -3.41 119.26 118.52 1dj1 h ALA 193 Ca -0.08 -1.02 -0.78 0.00 0.00 0.00 0.00 54.91 53.02 1dj1 h ALA 193 Cb 0.37 0.36 -0.24 0.00 0.00 0.00 0.00 17.79 18.27 1dj1 h ALA 193 CO 0.11 0.85 0.91 0.00 0.00 0.00 0.00 179.25 181.12 1dj1 n ALA 194 N -2.82 4.48 -0.80 0.00 0.00 -1.26 -4.82 120.51 115.29 1dj1 n ALA 194 Ca -0.22 -4.57 0.07 0.00 0.00 0.00 0.00 53.44 48.72 1dj1 n ALA 194 Cb 1.04 -2.63 0.39 0.00 0.00 0.00 0.00 19.45 18.25 1dj1 n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1dj1 n ASN 195 N 3.18 5.50 -0.91 0.00 2.04 -1.26 -3.28 115.26 120.53 1dj1 n ASN 195 Ca 0.29 -2.88 0.05 0.00 -0.44 0.00 0.00 54.58 51.60 1dj1 n ASN 195 Cb 0.38 -0.68 0.09 0.00 -2.53 0.00 0.00 39.78 37.04 1dj1 n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1dj1 n ASN 196 N 0.60 1.21 -3.93 0.53 0.23 -1.26 -1.36 115.26 111.28 1dj1 n ASN 196 Ca 0.26 -2.70 -0.24 0.00 -0.53 0.00 0.00 54.58 51.37 1dj1 n ASN 196 Cb 1.15 -0.37 -0.17 0.00 -2.08 0.00 0.00 39.78 38.32 1dj1 n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1dj1 s VAL 197 N -1.31 0.90 -0.40 3.53 1.01 -1.21 -4.75 120.40 118.17 1dj1 s VAL 197 Ca 0.30 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1dj1 s VAL 197 Cb 0.31 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1dj1 s VAL 197 CO -0.09 0.32 1.25 0.12 0.00 0.00 0.00 175.10 176.70 1dj1 s PHE 198 N 1.21 2.70 0.34 5.22 5.36 -0.04 -4.87 117.98 127.91 1dj1 s PHE 198 Ca -0.05 0.80 0.02 0.00 -0.96 0.00 0.00 56.93 56.74 1dj1 s PHE 198 Cb -0.14 -4.20 -0.01 0.00 -0.34 0.00 0.00 43.02 38.33 1dj1 s PHE 198 CO -0.02 -1.51 0.38 0.95 -1.46 0.00 0.00 175.22 173.55 1dj1 s THR 199 N 4.63 0.00 -0.65 0.12 -4.23 -1.26 -4.37 115.64 109.88 1dj1 s THR 199 Ca 0.53 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 1dj1 s THR 199 Cb -0.12 -2.58 0.36 0.00 1.34 0.00 0.00 72.50 71.50 1dj1 s THR 199 CO 0.28 0.00 1.06 -0.46 -0.54 0.00 0.00 174.62 174.96 1dj1 n ASN 200 N -1.48 3.09 -0.11 3.99 6.94 -1.26 -4.55 115.26 121.87 1dj1 n ASN 200 Ca 0.04 -2.42 0.12 0.00 -0.02 0.00 0.00 54.58 52.30 1dj1 n ASN 200 Cb 0.62 -0.59 0.48 0.00 -2.36 0.00 0.00 39.78 37.93 1dj1 n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1dj1 h GLU 201 N 1.68 0.45 -0.80 -3.83 4.81 -1.94 -2.20 114.58 112.74 1dj1 h GLU 201 Ca 0.01 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1dj1 h GLU 201 Cb 1.18 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 1dj1 h GLU 201 CO 0.23 0.30 0.47 0.35 -0.73 0.00 0.00 179.01 179.62 1dj1 h PHE 202 N 0.46 0.86 -0.11 0.92 3.57 -1.85 0.10 116.94 120.89 1dj1 h PHE 202 Ca 0.30 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.63 1dj1 h PHE 202 Cb 0.55 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1dj1 h PHE 202 CO -0.00 0.38 -0.73 1.88 -2.23 0.00 0.00 178.31 177.62 1dj1 h TYR 203 N 0.82 0.72 -0.26 0.41 -1.99 -1.76 -1.26 116.97 113.65 1dj1 h TYR 203 Ca 0.37 -0.31 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 1dj1 h TYR 203 Cb 0.28 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 1dj1 h TYR 203 CO -0.06 1.09 -0.01 -0.07 -0.00 0.00 0.00 178.16 179.11 1dj1 h LEU 204 N 0.37 0.47 -0.37 3.88 3.38 -1.24 -1.91 115.31 119.89 1dj1 h LEU 204 Ca -0.03 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1dj1 h LEU 204 Cb 1.32 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1dj1 h LEU 204 CO 0.13 0.67 0.07 0.78 0.09 0.00 0.00 178.44 180.19 1dj1 h ASN 205 N 0.24 0.57 -0.60 -0.43 2.35 -0.76 0.24 115.58 117.19 1dj1 h ASN 205 Ca 0.07 -0.25 0.12 0.00 -0.55 0.00 0.00 56.30 55.70 1dj1 h ASN 205 Cb 0.44 -0.15 -0.10 0.00 0.05 0.00 0.00 38.32 38.56 1dj1 h ASN 205 CO 0.02 0.67 0.00 0.25 -1.65 0.00 0.00 177.43 176.72 1dj1 h LEU 206 N 0.44 -0.26 0.00 1.61 5.85 -1.16 -1.03 115.31 120.77 1dj1 h LEU 206 Ca 0.11 0.15 -0.20 0.00 0.84 0.00 0.00 57.88 58.78 1dj1 h LEU 206 Cb 0.34 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1dj1 h LEU 206 CO 0.00 -0.10 -1.03 -0.07 -0.34 0.00 0.00 178.44 176.90 1dj1 h LEU 207 N 0.12 0.00 0.00 2.25 3.38 -0.98 -3.39 115.31 116.69 1dj1 h LEU 207 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1dj1 h LEU 207 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1dj1 h LEU 207 CO -0.51 0.90 -1.76 0.59 0.09 0.00 0.00 178.44 177.75 1dj1 n ASN 208 N -3.27 0.57 -4.92 -0.43 5.03 0.83 -4.98 115.26 108.10 1dj1 n ASN 208 Ca -0.02 -0.13 -0.26 0.00 0.87 0.00 0.00 54.58 55.03 1dj1 n ASN 208 Cb 0.92 1.77 0.03 0.00 -1.02 0.00 0.00 39.78 41.48 1dj1 n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1dj1 s GLU 209 N -3.28 2.84 -0.82 3.52 0.41 -0.43 -5.02 118.70 115.92 1dj1 s GLU 209 Ca -0.05 -0.05 -0.18 0.00 -0.41 0.00 0.00 54.97 54.28 1dj1 s GLU 209 Cb 0.13 -2.27 0.15 0.00 -1.78 0.00 0.00 34.13 30.36 1dj1 s GLU 209 CO 0.81 -0.75 0.94 0.34 -0.49 0.00 0.00 175.26 176.11 1dj1 s ASP 210 N -4.33 6.56 0.09 -0.19 3.68 -1.26 -5.00 116.67 116.22 1dj1 s ASP 210 Ca 0.54 -2.05 -0.23 0.00 2.13 0.00 0.00 52.55 52.94 1dj1 s ASP 210 Cb -0.11 -2.33 -0.07 0.00 -1.45 0.00 0.00 42.92 38.97 1dj1 s ASP 210 CO 0.45 -0.96 0.71 0.26 0.13 0.00 0.00 175.17 175.76 1dj1 s TRP 211 N 2.06 3.80 -0.12 -5.34 0.52 -1.26 -3.94 118.94 114.66 1dj1 s TRP 211 Ca 0.24 1.45 0.01 0.00 0.02 0.00 0.00 56.10 57.83 1dj1 s TRP 211 Cb -0.11 -2.71 0.02 0.00 -1.15 0.00 0.00 33.47 29.52 1dj1 s TRP 211 CO -0.05 0.43 -0.15 0.21 0.02 0.00 0.00 176.95 177.41 1dj1 s LYS 212 N -0.67 2.27 0.06 4.98 2.20 0.93 -4.90 119.74 124.61 1dj1 s LYS 212 Ca 0.35 -0.57 -0.31 0.00 -0.36 0.00 0.00 55.97 55.08 1dj1 s LYS 212 Cb -0.21 -1.96 -0.06 0.00 -1.51 0.00 0.00 37.83 34.09 1dj1 s LYS 212 CO 0.23 -0.10 1.28 -1.17 -0.36 0.00 0.00 175.35 175.22 1dj1 s LEU 213 N 1.11 4.35 0.18 5.43 2.96 -1.26 -1.93 118.68 129.52 1dj1 s LEU 213 Ca -0.04 2.10 -0.01 0.00 -0.22 0.00 0.00 54.13 55.96 1dj1 s LEU 213 Cb -0.14 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1dj1 s LEU 213 CO -0.04 -0.57 0.11 -1.61 -1.32 0.00 0.00 176.35 172.92 1dj1 s GLU 214 N 1.38 1.12 -0.19 1.98 2.02 0.42 -4.98 118.70 120.46 1dj1 s GLU 214 Ca 0.61 -1.57 -0.12 0.00 0.02 0.00 0.00 54.97 53.91 1dj1 s GLU 214 Cb -0.31 0.26 -0.05 0.00 0.10 0.00 0.00 34.13 34.13 1dj1 s GLU 214 CO 0.28 -0.35 0.22 0.15 0.02 0.00 0.00 175.26 175.58 1dj1 s LYS 215 N -4.13 4.19 0.53 1.61 1.02 -1.26 0.01 119.74 121.72 1dj1 s LYS 215 Ca 0.34 -0.08 -0.03 0.00 0.02 0.00 0.00 55.97 56.22 1dj1 s LYS 215 Cb 0.07 -3.46 0.11 0.00 -0.52 0.00 0.00 37.83 34.04 1dj1 s LYS 215 CO 0.09 0.20 0.73 0.27 -0.92 0.00 0.00 175.35 175.72 1dj1 n ASN 216 N 3.78 0.66 0.09 2.83 0.23 0.10 -4.85 115.26 118.10 1dj1 n ASN 216 Ca -0.14 -1.63 0.09 0.00 -0.53 0.00 0.00 54.58 52.37 1dj1 n ASN 216 Cb 0.52 -0.50 0.40 0.00 -2.08 0.00 0.00 39.78 38.12 1dj1 n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1dj1 n ASP 217 N -3.12 0.40 -1.34 0.53 8.00 -1.26 0.18 116.55 119.94 1dj1 n ASP 217 Ca 0.11 0.62 0.09 0.00 0.71 0.00 0.00 54.79 56.32 1dj1 n ASP 217 Cb 0.39 -0.70 0.30 0.00 -0.02 0.00 0.00 41.12 41.09 1dj1 n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dj1 n ALA 218 N -1.67 2.80 -1.67 2.24 0.00 -1.26 -4.94 120.51 116.00 1dj1 n ALA 218 Ca 0.01 -1.28 -0.13 0.00 0.00 0.00 0.00 53.44 52.04 1dj1 n ALA 218 Cb 0.15 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1dj1 n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dj1 n ASN 219 N 1.11 -4.47 -4.73 0.00 3.02 0.13 -5.01 115.26 105.30 1dj1 n ASN 219 Ca 0.22 0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.66 1dj1 n ASN 219 Cb 0.70 -3.32 -0.08 0.00 -0.61 0.00 0.00 39.78 36.47 1dj1 n ASN 219 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1dj1 s ASN 220 N -2.71 5.41 0.12 6.41 0.02 -1.26 -4.77 114.94 118.17 1dj1 s ASN 220 Ca 0.00 0.08 -0.30 0.00 -1.02 0.00 0.00 52.86 51.62 1dj1 s ASN 220 Cb 0.00 -1.49 -0.06 0.00 0.02 0.00 0.00 41.25 39.72 1dj1 s ASN 220 CO 0.00 0.28 0.95 -1.61 0.02 0.00 0.00 177.10 176.74 1dj1 s GLU 221 N -1.61 4.70 0.06 -0.60 2.02 -1.26 0.03 118.70 122.04 1dj1 s GLU 221 Ca 0.21 1.43 -0.12 0.00 0.02 0.00 0.00 54.97 56.51 1dj1 s GLU 221 Cb -0.12 -3.37 0.01 0.00 0.10 0.00 0.00 34.13 30.76 1dj1 s GLU 221 CO 0.12 0.25 0.26 1.14 0.02 0.00 0.00 175.26 177.04 1dj1 s GLN 222 N -0.13 0.82 -0.20 1.61 -2.07 0.10 -4.57 119.66 115.22 1dj1 s GLN 222 Ca 0.46 -0.67 -0.18 0.00 -1.82 0.00 0.00 55.36 53.15 1dj1 s GLN 222 Cb -0.23 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 1dj1 s GLN 222 CO 0.30 -0.26 0.50 -1.58 -1.32 0.00 0.00 175.29 172.92 1dj1 s TRP 223 N -3.01 3.37 -0.03 9.60 0.52 -0.64 -0.43 118.94 128.31 1dj1 s TRP 223 Ca -0.02 0.74 0.07 0.00 0.02 0.00 0.00 56.10 56.91 1dj1 s TRP 223 Cb 0.01 -2.64 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 1dj1 s TRP 223 CO -0.06 -0.09 -0.23 -0.51 0.02 0.00 0.00 176.95 176.08 1dj1 s ASP 224 N 1.14 2.80 0.27 2.95 1.01 -0.81 0.15 116.67 124.18 1dj1 s ASP 224 Ca 0.23 -0.45 0.08 0.00 0.71 0.00 0.00 52.55 53.13 1dj1 s ASP 224 Cb -0.15 -0.52 -0.04 0.00 1.01 0.00 0.00 42.92 43.22 1dj1 s ASP 224 CO 0.09 0.26 0.10 -0.94 0.21 0.00 0.00 175.17 174.90 1dj1 s SER 225 N -0.36 5.00 0.58 0.27 1.04 -0.39 -0.05 113.70 119.80 1dj1 s SER 225 Ca 0.04 -0.48 0.35 0.00 0.48 0.00 0.00 55.95 56.34 1dj1 s SER 225 Cb -0.11 -1.09 1.76 0.00 0.10 0.00 0.00 66.02 66.68 1dj1 s SER 225 CO 0.01 -0.04 2.15 0.11 0.98 0.00 0.00 173.24 176.45 1dj1 h LYS 226 N 1.67 0.00 0.00 4.02 6.56 -1.89 -2.11 116.57 124.82 1dj1 h LYS 226 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1dj1 h LYS 226 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1dj1 h LYS 226 CO 0.61 0.05 0.00 0.43 -2.06 0.00 0.00 179.45 178.47 1dj1 n SER 227 N -3.32 0.06 0.00 0.86 7.64 -1.26 -4.87 113.62 112.73 1dj1 n SER 227 Ca -0.02 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1dj1 n SER 227 Cb 0.20 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1dj1 n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dj1 n GLY 228 N 0.22 0.76 4.01 0.23 0.00 -0.79 -5.07 105.19 104.54 1dj1 n GLY 228 Ca 0.04 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 1dj1 n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dj1 s TYR 229 N -2.00 2.82 0.10 1.61 4.12 -1.26 -4.59 117.35 118.14 1dj1 s TYR 229 Ca 0.00 -0.38 -0.08 0.00 0.02 0.00 0.00 57.07 56.63 1dj1 s TYR 229 Cb 0.00 -2.38 -0.00 0.00 -1.52 0.00 0.00 41.96 38.05 1dj1 s TYR 229 CO 0.00 -0.42 0.19 0.00 0.02 0.00 0.00 175.55 175.33 1dj1 s MET 230 N -4.36 0.87 -0.01 -0.62 0.23 -0.48 -1.26 119.30 113.67 1dj1 s MET 230 Ca 0.55 -1.00 0.01 0.00 -1.03 0.00 0.00 55.69 54.22 1dj1 s MET 230 Cb -0.10 0.34 0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1dj1 s MET 230 CO 0.33 -0.28 -0.03 -1.64 -2.03 0.00 0.00 175.02 171.38 1dj1 s MET 231 N -3.88 0.32 0.59 3.16 -1.94 0.12 -4.27 119.30 113.41 1dj1 s MET 231 Ca 0.07 -0.07 -0.13 0.00 -1.71 0.00 0.00 55.69 53.84 1dj1 s MET 231 Cb 0.05 -0.36 -0.05 0.00 2.01 0.00 0.00 34.83 36.48 1dj1 s MET 231 CO -0.10 0.01 1.02 -0.51 -0.01 0.00 0.00 175.02 175.43 1dj1 s LEU 232 N 0.28 3.39 0.30 -0.03 1.43 -1.26 -1.62 118.68 121.16 1dj1 s LEU 232 Ca -0.03 1.55 0.06 0.00 -1.03 0.00 0.00 54.13 54.68 1dj1 s LEU 232 Cb -0.06 -4.49 0.73 0.00 0.03 0.00 0.00 46.19 42.40 1dj1 s LEU 232 CO -0.01 -0.89 1.78 -0.65 0.23 0.00 0.00 176.35 176.82 1dj1 h PRO 233 N 0.15 0.76 -0.30 1.29 0.11 -1.80 0.40 132.00 132.61 1dj1 h PRO 233 Ca -0.45 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1dj1 h PRO 233 Cb 1.19 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1dj1 h PRO 233 CO 0.60 0.50 -0.06 1.79 -0.21 0.00 0.00 178.00 180.63 1dj1 h THR 234 N 0.78 1.21 -0.17 -1.15 1.35 -1.45 -0.03 112.91 113.45 1dj1 h THR 234 Ca 0.58 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 1dj1 h THR 234 Cb 0.88 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1dj1 h THR 234 CO -0.38 0.29 0.06 0.44 -0.25 0.00 0.00 175.52 175.68 1dj1 h ASP 235 N 0.46 0.24 -0.23 5.36 3.32 -1.31 -3.21 116.42 121.05 1dj1 h ASP 235 Ca 0.09 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1dj1 h ASP 235 Cb 0.39 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1dj1 h ASP 235 CO 0.02 0.36 -0.06 0.22 -1.72 0.00 0.00 179.24 178.06 1dj1 h TYR 236 N 0.11 0.62 -0.76 4.55 5.03 -0.71 -2.42 116.97 123.38 1dj1 h TYR 236 Ca 0.06 -0.08 0.21 0.00 2.58 0.00 0.00 58.73 61.49 1dj1 h TYR 236 Cb 0.20 -0.17 -0.14 0.00 1.55 0.00 0.00 36.73 38.16 1dj1 h TYR 236 CO -0.01 0.63 0.01 0.43 -1.32 0.00 0.00 178.16 177.91 1dj1 n SER 237 N -4.23 -0.10 0.18 -2.11 7.64 -0.06 -1.07 113.62 113.89 1dj1 n SER 237 Ca 0.01 1.30 0.13 0.00 1.01 0.00 0.00 58.87 61.32 1dj1 n SER 237 Cb 0.30 -0.47 0.64 0.00 -1.01 0.00 0.00 64.21 63.67 1dj1 n SER 237 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1dj1 h LEU 238 N 0.00 0.00 -2.44 -3.43 3.38 -1.54 0.42 115.31 111.70 1dj1 h LEU 238 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1dj1 h LEU 238 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1dj1 h LEU 238 CO -0.72 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.11 1dj1 n ILE 239 N -2.40 0.70 -0.09 1.22 -5.35 -0.23 -1.85 119.36 111.37 1dj1 n ILE 239 Ca -0.01 -0.85 -0.23 0.00 -0.27 0.00 0.00 62.75 61.39 1dj1 n ILE 239 Cb 0.10 0.70 -0.12 0.00 -1.74 0.00 0.00 39.64 38.59 1dj1 n ILE 239 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dj1 n GLN 240 N 0.34 0.61 -2.15 6.28 6.02 0.13 -4.81 117.38 123.80 1dj1 n GLN 240 Ca 0.08 0.42 -0.42 0.00 -0.01 0.00 0.00 57.00 57.07 1dj1 n GLN 240 Cb 0.33 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 1dj1 n GLN 240 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1dj1 s ASP 241 N -7.01 6.80 0.35 1.08 2.15 -0.41 -4.93 116.67 114.70 1dj1 s ASP 241 Ca -0.30 2.26 0.09 0.00 0.43 0.00 0.00 52.55 55.02 1dj1 s ASP 241 Cb 0.08 -2.57 0.64 0.00 -0.30 0.00 0.00 42.92 40.77 1dj1 s ASP 241 CO 0.60 -0.72 1.81 1.55 -0.17 0.00 0.00 175.17 178.25 1dj1 h PRO 242 N 7.52 0.21 -0.18 4.34 0.13 -1.91 0.86 132.00 142.97 1dj1 h PRO 242 Ca -0.40 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1dj1 h PRO 242 Cb 1.19 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1dj1 h PRO 242 CO 0.89 0.48 -0.03 0.87 -0.23 0.00 0.00 178.00 179.98 1dj1 h LYS 243 N 0.19 0.33 -0.80 0.86 1.57 -1.95 -2.51 116.57 114.27 1dj1 h LYS 243 Ca 0.03 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1dj1 h LYS 243 Cb 0.59 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1dj1 h LYS 243 CO 0.04 0.58 0.42 1.88 -0.57 0.00 0.00 179.45 181.81 1dj1 h TYR 244 N 0.05 1.11 -0.71 -1.35 0.99 -1.71 -2.94 116.97 112.41 1dj1 h TYR 244 Ca 0.05 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 1dj1 h TYR 244 Cb 0.45 -0.35 -0.03 0.00 1.00 0.00 0.00 36.73 37.80 1dj1 h TYR 244 CO 0.05 0.78 0.37 1.25 -0.00 0.00 0.00 178.16 180.61 1dj1 h LEU 245 N 1.11 0.89 -0.88 3.88 5.85 -0.07 -0.62 115.31 125.47 1dj1 h LEU 245 Ca 0.28 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1dj1 h LEU 245 Cb 0.05 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1dj1 h LEU 245 CO -0.04 0.74 0.47 -1.28 -0.34 0.00 0.00 178.44 177.98 1dj1 h SER 246 N 1.00 1.12 0.15 1.25 0.87 -1.27 -1.34 113.55 115.34 1dj1 h SER 246 Ca 0.25 -0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.51 1dj1 h SER 246 Cb 0.06 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1dj1 h SER 246 CO -0.04 0.91 -0.70 0.40 -0.53 0.00 0.00 176.83 176.88 1dj1 h ILE 247 N 1.24 1.35 -0.25 2.23 2.04 -1.43 -2.38 117.51 120.32 1dj1 h ILE 247 Ca 0.31 -2.04 0.05 0.00 1.00 0.00 0.00 64.86 64.18 1dj1 h ILE 247 Cb 0.06 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 1dj1 h ILE 247 CO -0.05 0.62 -0.07 0.58 0.00 0.00 0.00 178.15 179.23 1dj1 h VAL 248 N 0.35 0.73 -0.80 1.67 2.07 -0.71 -1.82 116.25 117.73 1dj1 h VAL 248 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1dj1 h VAL 248 Cb 1.27 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 1dj1 h VAL 248 CO 0.13 0.00 0.44 0.11 0.02 0.00 0.00 177.57 178.27 1dj1 h LYS 249 N -0.01 0.73 -0.31 1.57 1.57 -1.15 -0.40 116.57 118.56 1dj1 h LYS 249 Ca 0.12 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1dj1 h LYS 249 Cb 0.20 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 1dj1 h LYS 249 CO -0.27 0.48 0.09 1.49 -0.57 0.00 0.00 179.45 180.67 1dj1 h GLU 250 N 0.75 0.21 -0.02 3.15 4.81 -0.85 -1.20 114.58 121.42 1dj1 h GLU 250 Ca 0.38 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.40 1dj1 h GLU 250 Cb 0.35 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1dj1 h GLU 250 CO -0.25 0.14 -0.86 1.88 -0.73 0.00 0.00 179.01 179.19 1dj1 h TYR 251 N 0.21 0.49 -1.01 0.92 0.99 -0.96 0.23 116.97 117.83 1dj1 h TYR 251 Ca 0.14 -0.25 0.08 0.00 2.00 0.00 0.00 58.73 60.70 1dj1 h TYR 251 Cb 0.13 -0.06 -0.07 0.00 1.00 0.00 0.00 36.73 37.73 1dj1 h TYR 251 CO -0.15 1.05 0.65 0.00 -0.00 0.00 0.00 178.16 179.70 1dj1 h ALA 252 N 0.87 1.44 0.00 3.88 0.00 -0.90 -2.76 119.26 121.79 1dj1 h ALA 252 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dj1 h ALA 252 Cb 1.48 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1dj1 h ALA 252 CO 0.14 0.38 -0.36 -0.97 0.00 0.00 0.00 179.25 178.45 1dj1 h ASN 253 N 1.13 0.00 -1.98 0.00 -0.73 -0.88 -3.43 115.58 109.69 1dj1 h ASN 253 Ca 0.46 -0.04 -0.38 0.00 1.87 0.00 0.00 56.30 58.21 1dj1 h ASN 253 Cb 0.27 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 38.54 1dj1 h ASN 253 CO -0.20 0.02 -0.69 -0.62 -0.37 0.00 0.00 177.43 175.56 1dj1 s ASP 254 N -5.30 1.25 0.24 1.15 -1.08 0.04 -5.00 116.67 107.97 1dj1 s ASP 254 Ca 0.06 -1.60 -0.05 0.00 -0.52 0.00 0.00 52.55 50.44 1dj1 s ASP 254 Cb 0.09 0.52 0.25 0.00 -1.46 0.00 0.00 42.92 42.31 1dj1 s ASP 254 CO 0.69 -0.26 1.77 -0.61 0.52 0.00 0.00 175.17 177.28 1dj1 h GLN 255 N 7.07 1.01 -0.76 4.34 4.15 -1.83 -1.51 115.11 127.60 1dj1 h GLN 255 Ca 0.05 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.28 1dj1 h GLN 255 Cb 1.05 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.55 1dj1 h GLN 255 CO 0.21 0.89 0.48 -0.44 -1.93 0.00 0.00 178.83 178.03 1dj1 h ASP 256 N 0.97 0.79 -0.73 -0.69 3.45 -1.94 0.26 116.42 118.53 1dj1 h ASP 256 Ca 0.21 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.67 1dj1 h ASP 256 Cb 0.32 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.89 1dj1 h ASP 256 CO -0.00 0.54 0.48 0.50 -1.57 0.00 0.00 179.24 179.19 1dj1 h LYS 257 N 0.93 0.97 -0.41 3.56 1.63 -1.79 -2.37 116.57 119.09 1dj1 h LYS 257 Ca 0.31 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1dj1 h LYS 257 Cb 0.03 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 1dj1 h LYS 257 CO -0.12 0.65 0.22 0.35 -3.45 0.00 0.00 179.45 177.11 1dj1 h PHE 258 N 1.00 0.57 -0.66 1.91 3.57 -0.19 -2.18 116.94 120.96 1dj1 h PHE 258 Ca 0.27 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.79 1dj1 h PHE 258 Cb -0.10 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 1dj1 h PHE 258 CO -0.02 0.45 0.39 0.74 -2.23 0.00 0.00 178.31 177.64 1dj1 h PHE 259 N 0.54 0.73 -0.54 0.41 0.05 -0.33 0.90 116.94 118.70 1dj1 h PHE 259 Ca 0.15 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.88 1dj1 h PHE 259 Cb 0.07 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 37.76 1dj1 h PHE 259 CO -0.02 0.39 0.05 0.87 -0.18 0.00 0.00 178.31 179.41 1dj1 h LYS 260 N 0.75 0.93 -0.13 1.51 6.56 -1.14 -1.22 116.57 123.83 1dj1 h LYS 260 Ca 0.28 -0.27 -0.21 0.00 -1.06 0.00 0.00 60.65 59.39 1dj1 h LYS 260 Cb 0.09 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1dj1 h LYS 260 CO -0.14 0.92 -0.74 -0.44 -2.06 0.00 0.00 179.45 176.99 1dj1 h ASP 261 N 0.81 0.77 -0.61 0.86 3.32 -1.16 -2.15 116.42 118.27 1dj1 h ASP 261 Ca 0.16 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 1dj1 h ASP 261 Cb 0.47 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1dj1 h ASP 261 CO 0.02 1.28 0.26 0.15 -1.72 0.00 0.00 179.24 179.23 1dj1 h PHE 262 N 0.45 0.90 0.16 4.55 3.57 -0.77 -0.99 116.94 124.81 1dj1 h PHE 262 Ca -0.04 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1dj1 h PHE 262 Cb 1.35 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1dj1 h PHE 262 CO 0.07 0.71 -0.07 1.03 -2.23 0.00 0.00 178.31 177.81 1dj1 h SER 263 N 0.84 -0.18 -0.65 0.41 0.87 -1.07 0.37 113.55 114.14 1dj1 h SER 263 Ca 0.20 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1dj1 h SER 263 Cb 0.17 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1dj1 h SER 263 CO -0.02 -0.12 0.21 0.11 -0.53 0.00 0.00 176.83 176.48 1dj1 h LYS 264 N -0.21 1.03 -0.27 2.24 1.57 -1.31 -2.46 116.57 117.16 1dj1 h LYS 264 Ca -0.02 -0.21 -0.18 0.00 -1.87 0.00 0.00 60.65 58.37 1dj1 h LYS 264 Cb 0.16 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1dj1 h LYS 264 CO 0.04 0.88 -0.54 0.00 -0.57 0.00 0.00 179.45 179.26 1dj1 h ALA 265 N 1.23 0.53 -0.29 3.86 0.00 -0.69 -1.49 119.26 122.42 1dj1 h ALA 265 Ca 0.22 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1dj1 h ALA 265 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1dj1 h ALA 265 CO -0.01 0.68 -0.10 0.35 0.00 0.00 0.00 179.25 180.17 1dj1 h PHE 266 N 0.62 0.65 -0.40 0.00 -0.00 -0.20 -0.57 116.94 117.04 1dj1 h PHE 266 Ca 0.02 -0.15 0.05 0.00 -0.00 0.00 0.00 57.97 57.88 1dj1 h PHE 266 Cb 1.14 -0.15 -0.05 0.00 -0.00 0.00 0.00 35.95 36.88 1dj1 h PHE 266 CO 0.07 0.79 0.13 1.49 -0.00 0.00 0.00 178.31 180.79 1dj1 h GLU 267 N 0.33 0.28 -0.87 1.11 4.81 -1.44 -2.03 114.58 116.77 1dj1 h GLU 267 Ca 0.07 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1dj1 h GLU 267 Cb 0.60 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 1dj1 h GLU 267 CO 0.03 0.18 0.55 -0.22 -0.73 0.00 0.00 179.01 178.83 1dj1 h LYS 268 N 0.29 1.00 -0.73 1.92 3.64 -0.86 -1.46 116.57 120.37 1dj1 h LYS 268 Ca 0.19 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1dj1 h LYS 268 Cb 0.18 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1dj1 h LYS 268 CO -0.20 0.66 0.36 1.25 -2.27 0.00 0.00 179.45 179.26 1dj1 h LEU 269 N 1.03 0.95 -0.04 5.20 5.85 -0.70 -0.12 115.31 127.48 1dj1 h LEU 269 Ca 0.37 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1dj1 h LEU 269 Cb 0.11 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1dj1 h LEU 269 CO -0.15 0.81 0.00 0.18 -0.34 0.00 0.00 178.44 178.94 1dj1 n LEU 270 N -4.42 0.38 -0.28 2.25 4.77 -0.80 -3.27 117.00 115.63 1dj1 n LEU 270 Ca 0.06 0.54 0.06 0.00 -0.03 0.00 0.00 56.01 56.64 1dj1 n LEU 270 Cb 0.12 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1dj1 n LEU 270 CO 0.39 -0.12 0.23 -0.62 -1.33 0.00 0.00 177.39 175.94 1dj1 n GLU 271 N -1.86 1.92 -1.64 3.23 1.02 -0.60 -4.76 120.64 117.94 1dj1 n GLU 271 Ca 0.06 -0.68 -0.45 0.00 -0.02 0.00 0.00 57.16 56.06 1dj1 n GLU 271 Cb 0.36 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 30.60 1dj1 n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1dj1 n ASN 272 N -0.20 2.25 0.00 1.62 3.02 -0.10 -1.67 115.26 120.17 1dj1 n ASN 272 Ca 0.05 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 1dj1 n ASN 272 Cb 0.26 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.06 1dj1 n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dj1 n GLY 273 N 1.82 1.57 3.61 7.41 0.00 -1.26 -4.52 105.19 113.82 1dj1 n GLY 273 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1dj1 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dj1 s ILE 274 N -2.63 4.79 -0.28 -0.61 1.01 -0.67 -4.12 121.20 118.69 1dj1 s ILE 274 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 1dj1 s ILE 274 Cb 0.00 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1dj1 s ILE 274 CO 0.00 0.43 0.38 -0.89 0.00 0.00 0.00 174.94 174.87 1dj1 s THR 275 N 0.59 5.16 -0.20 2.92 2.01 0.61 -4.94 115.64 121.78 1dj1 s THR 275 Ca 0.04 0.49 -0.10 0.00 0.31 0.00 0.00 61.69 62.43 1dj1 s THR 275 Cb -0.13 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1dj1 s THR 275 CO 0.01 0.10 0.13 -0.36 -0.69 0.00 0.00 174.62 173.81 1dj1 s PHE 276 N 2.09 3.41 0.63 4.92 0.08 -1.26 -1.33 117.98 126.51 1dj1 s PHE 276 Ca 0.15 0.33 -0.18 0.00 0.12 0.00 0.00 56.93 57.35 1dj1 s PHE 276 Cb -0.16 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1dj1 s PHE 276 CO 0.10 0.29 1.27 -2.14 -0.10 0.00 0.00 175.22 174.65 1dj1 s PRO 277 N 0.35 2.70 0.42 0.24 0.02 -1.26 -4.89 135.00 132.58 1dj1 s PRO 277 Ca 0.08 2.00 0.17 0.00 0.02 0.00 0.00 61.00 63.28 1dj1 s PRO 277 Cb -0.11 -1.89 1.08 0.00 0.02 0.00 0.00 34.50 33.60 1dj1 s PRO 277 CO -0.02 -1.47 1.85 1.57 -0.33 0.00 0.00 177.00 178.61 1dj1 h LYS 278 N 0.69 0.40 -0.57 5.54 -0.00 -2.02 -1.02 116.57 119.59 1dj1 h LYS 278 Ca -0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.12 1dj1 h LYS 278 Cb 1.32 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.46 1dj1 h LYS 278 CO 0.54 0.27 0.00 -0.40 -0.00 0.00 0.00 179.45 179.85 1dj1 n ASP 279 N -4.52 3.41 -4.63 7.07 5.68 -1.26 -4.95 116.55 117.35 1dj1 n ASP 279 Ca 0.20 -1.98 -0.35 0.00 -0.50 0.00 0.00 54.79 52.15 1dj1 n ASP 279 Cb 0.70 -0.38 0.10 0.00 -1.14 0.00 0.00 41.12 40.40 1dj1 n ASP 279 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dj1 n ALA 280 N 1.38 -0.19 -1.31 2.12 0.00 -0.39 -4.94 120.51 117.19 1dj1 n ALA 280 Ca 0.21 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 1dj1 n ALA 280 Cb 0.56 -2.14 0.10 0.00 0.00 0.00 0.00 19.45 17.96 1dj1 n ALA 280 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1dj1 s PRO 281 N -3.50 2.06 0.69 0.00 0.04 -1.26 -4.97 135.00 128.06 1dj1 s PRO 281 Ca 0.73 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 63.33 1dj1 s PRO 281 Cb -0.33 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1dj1 s PRO 281 CO 0.50 -1.88 1.23 0.43 0.04 0.00 0.00 177.00 177.32 1dj1 n SER 282 N -2.86 1.63 -4.59 6.66 7.64 -1.26 -4.92 113.62 115.93 1dj1 n SER 282 Ca 0.13 0.76 -0.44 0.00 1.01 0.00 0.00 58.87 60.33 1dj1 n SER 282 Cb 0.50 -1.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.17 1dj1 n SER 282 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1dj1 n PRO 283 N -2.20 1.35 -3.15 1.43 -0.02 -1.26 -4.96 135.00 126.20 1dj1 n PRO 283 Ca 0.15 0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 1dj1 n PRO 283 Cb 0.49 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 1dj1 n PRO 283 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1dj1 s PHE 284 N -1.10 3.70 -0.30 6.00 2.99 0.12 -4.82 117.98 124.58 1dj1 s PHE 284 Ca 0.59 1.35 0.02 0.00 0.00 0.00 0.00 56.93 58.89 1dj1 s PHE 284 Cb -0.68 -2.58 0.07 0.00 0.00 0.00 0.00 43.02 39.83 1dj1 s PHE 284 CO 0.60 0.41 -0.03 0.42 -0.00 0.00 0.00 175.22 176.62 1dj1 s ILE 285 N -1.41 2.48 0.21 0.64 -1.09 -1.26 -0.48 121.20 120.29 1dj1 s ILE 285 Ca 0.39 -1.74 -0.26 0.00 -2.23 0.00 0.00 60.65 56.82 1dj1 s ILE 285 Cb -0.18 -2.54 -0.09 0.00 -1.58 0.00 0.00 42.46 38.08 1dj1 s ILE 285 CO 0.21 -0.20 0.83 -0.36 -1.23 0.00 0.00 174.94 174.19 1dj1 s PHE 286 N 1.10 3.87 0.39 3.97 0.08 -1.26 -5.04 117.98 121.09 1dj1 s PHE 286 Ca -0.03 1.69 -0.24 0.00 0.12 0.00 0.00 56.93 58.47 1dj1 s PHE 286 Cb -0.20 -2.82 -0.09 0.00 -0.57 0.00 0.00 43.02 39.34 1dj1 s PHE 286 CO -0.05 0.44 1.06 0.15 -0.10 0.00 0.00 175.22 176.72 1dj1 s LYS 287 N -1.38 4.19 0.82 0.44 3.01 -1.26 -5.02 119.74 120.54 1dj1 s LYS 287 Ca 0.40 1.54 -0.12 0.00 -1.01 0.00 0.00 55.97 56.78 1dj1 s LYS 287 Cb -0.22 -2.58 0.08 0.00 -1.01 0.00 0.00 37.83 34.10 1dj1 s LYS 287 CO 0.27 -0.13 1.10 0.95 0.51 0.00 0.00 175.35 178.05 1dj1 s THR 288 N -1.62 2.91 0.21 2.17 -4.23 -1.26 -4.90 115.64 108.92 1dj1 s THR 288 Ca 0.57 0.29 -0.09 0.00 -1.18 0.00 0.00 61.69 61.28 1dj1 s THR 288 Cb -0.23 -3.01 0.15 0.00 1.34 0.00 0.00 72.50 70.75 1dj1 s THR 288 CO 0.29 -0.39 1.84 -0.07 -0.54 0.00 0.00 174.62 175.75 1dj1 h LEU 289 N -1.18 0.70 -0.63 4.79 3.38 -1.97 -1.81 115.31 118.59 1dj1 h LEU 289 Ca -0.48 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.51 1dj1 h LEU 289 Cb 1.28 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1dj1 h LEU 289 CO 0.59 0.47 0.41 -0.08 0.09 0.00 0.00 178.44 179.92 1dj1 h GLU 290 N 0.83 0.81 0.00 1.13 4.81 -1.93 0.25 114.58 120.48 1dj1 h GLU 290 Ca 0.30 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1dj1 h GLU 290 Cb 0.08 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1dj1 h GLU 290 CO -0.14 0.54 -0.04 0.93 -0.73 0.00 0.00 179.01 179.57 1dj1 h GLU 291 N 0.84 0.00 -0.02 1.92 5.08 -1.77 -2.41 114.58 118.22 1dj1 h GLU 291 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1dj1 h GLU 291 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1dj1 h GLU 291 CO -0.06 0.04 -0.33 1.04 -1.00 0.00 0.00 179.01 178.70 1dj1 n GLN 292 N -3.31 1.53 -0.89 2.33 6.02 0.65 -4.94 117.38 118.78 1dj1 n GLN 292 Ca -0.02 -1.24 0.00 0.00 -0.01 0.00 0.00 57.00 55.74 1dj1 n GLN 292 Cb 0.19 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1dj1 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dj1 n GLY 293 N 1.37 0.58 0.87 1.08 0.00 0.04 -5.08 105.19 104.05 1dj1 n GLY 293 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1dj1 n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36