#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u83 n PHE 4 N 0.00 0.00 -1.53 1.24 0.99 -1.26 -5.10 117.46 111.80 1u83 n PHE 4 Ca 0.00 -0.36 -0.39 0.00 -0.00 0.00 0.00 57.45 56.70 1u83 n PHE 4 Cb 0.00 -0.08 0.04 0.00 -1.00 0.00 0.00 39.48 38.44 1u83 n PHE 4 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1u83 n SER 5 N -0.51 -0.18 -4.07 4.37 2.88 -1.26 -5.05 113.62 109.81 1u83 n SER 5 Ca 0.05 0.80 -0.07 0.00 -1.33 0.00 0.00 58.87 58.32 1u83 n SER 5 Cb 0.62 -1.26 -0.10 0.00 -0.75 0.00 0.00 64.21 62.72 1u83 n SER 5 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1u83 s LEU 6 N -0.25 2.40 -0.32 2.46 1.43 -1.26 -5.12 118.68 118.02 1u83 s LEU 6 Ca 0.70 -0.93 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 1u83 s LEU 6 Cb -0.46 0.24 -0.00 0.00 0.03 0.00 0.00 46.19 46.00 1u83 s LEU 6 CO 0.52 -0.58 0.73 -1.61 0.23 0.00 0.00 176.35 175.65 1u83 s GLU 7 N -3.66 3.88 0.11 1.70 0.41 -1.26 -5.03 118.70 114.85 1u83 s GLU 7 Ca 0.05 0.42 0.03 0.00 -0.41 0.00 0.00 54.97 55.05 1u83 s GLU 7 Cb 0.06 -3.75 -0.04 0.00 -1.78 0.00 0.00 34.13 28.62 1u83 s GLU 7 CO -0.09 -0.69 -0.08 -0.51 -0.49 0.00 0.00 175.26 173.40 1u83 s LEU 8 N 2.87 2.49 0.39 1.80 1.43 -1.26 -5.12 118.68 121.28 1u83 s LEU 8 Ca 0.30 -0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 52.18 1u83 s LEU 8 Cb -0.14 -0.20 -0.11 0.00 0.03 0.00 0.00 46.19 45.76 1u83 s LEU 8 CO 0.13 -0.38 1.16 -2.65 0.23 0.00 0.00 176.35 174.84 1u83 n PRO 9 N 0.08 1.71 -2.42 1.29 -0.02 -1.26 -4.90 135.00 129.47 1u83 n PRO 9 Ca -0.13 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1u83 n PRO 9 Cb 0.60 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1u83 n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u83 s VAL 10 N -1.19 4.03 0.12 -1.45 1.01 -1.26 -4.94 120.40 116.72 1u83 s VAL 10 Ca 0.60 1.46 0.07 0.00 0.00 0.00 0.00 61.98 64.11 1u83 s VAL 10 Cb -0.56 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1u83 s VAL 10 CO 0.59 0.11 -0.07 -0.13 0.00 0.00 0.00 175.10 175.59 1u83 s ARG 11 N 1.07 2.20 0.56 2.72 1.81 -1.26 -4.82 118.95 121.24 1u83 s ARG 11 Ca 0.59 -1.05 -0.16 0.00 -1.72 0.00 0.00 55.73 53.39 1u83 s ARG 11 Cb -0.29 -2.32 -0.05 0.00 -0.45 0.00 0.00 34.95 31.83 1u83 s ARG 11 CO 0.29 0.49 1.03 0.95 -0.68 0.00 0.00 175.30 177.38 1u83 s THR 12 N -1.37 4.08 0.30 0.02 -4.23 -1.26 -5.06 115.64 108.12 1u83 s THR 12 Ca 0.23 1.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.83 1u83 s THR 12 Cb -0.11 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1u83 s THR 12 CO 0.15 -0.57 0.06 0.20 -0.54 0.00 0.00 174.62 173.92 1u83 s ASN 13 N -2.89 4.60 0.36 3.99 0.01 -1.26 -4.98 114.94 114.77 1u83 s ASN 13 Ca 0.62 -0.70 -0.27 0.00 -0.71 0.00 0.00 52.86 51.79 1u83 s ASN 13 Cb -0.14 -0.80 -0.09 0.00 0.41 0.00 0.00 41.25 40.63 1u83 s ASN 13 CO 0.35 -0.13 1.24 -0.54 -1.51 0.00 0.00 177.10 176.51 1u83 s LYS 14 N -3.74 4.22 -0.01 -0.60 1.02 -1.26 -3.11 119.74 116.26 1u83 s LYS 14 Ca 0.34 2.05 -0.30 0.00 0.02 0.00 0.00 55.97 58.08 1u83 s LYS 14 Cb -0.05 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 1u83 s LYS 14 CO 0.21 -0.24 1.06 -1.25 -0.92 0.00 0.00 175.35 174.21 1u83 s PRO 15 N -1.98 4.48 -0.13 -1.68 0.04 -1.26 -5.13 135.00 129.34 1u83 s PRO 15 Ca 0.52 1.53 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 1u83 s PRO 15 Cb -0.36 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.70 1u83 s PRO 15 CO 0.47 -0.19 0.80 1.03 0.04 0.00 0.00 177.00 179.15 1u83 s ARG 16 N 1.33 4.35 -0.00 4.56 0.52 -1.18 -4.90 118.95 123.63 1u83 s ARG 16 Ca 0.53 1.00 0.19 0.00 -0.52 0.00 0.00 55.73 56.93 1u83 s ARG 16 Cb -0.23 -3.53 -0.22 0.00 0.52 0.00 0.00 34.95 31.49 1u83 s ARG 16 CO 0.26 -0.20 0.74 0.39 0.02 0.00 0.00 175.30 176.51 1u83 n GLU 17 N 4.75 0.76 -3.91 3.54 -0.58 -1.26 -4.86 120.64 119.09 1u83 n GLU 17 Ca 0.03 -0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1u83 n GLU 17 Cb 0.50 -1.40 -0.07 0.00 -0.57 0.00 0.00 31.44 29.90 1u83 n GLU 17 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1u83 s THR 18 N -2.86 0.10 -1.17 2.62 -1.32 -1.26 -4.87 115.64 106.89 1u83 s THR 18 Ca 0.05 -1.28 -0.01 0.00 -1.21 0.00 0.00 61.69 59.24 1u83 s THR 18 Cb 0.14 -1.59 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 1u83 s THR 18 CO 0.78 -0.47 0.16 0.61 -2.21 0.00 0.00 174.62 173.48 1u83 n GLY 19 N -0.14 -0.19 3.83 6.08 0.00 0.21 -4.78 105.19 110.20 1u83 n GLY 19 Ca -0.11 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1u83 n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u83 s GLN 20 N -4.95 4.11 -0.15 1.61 -0.21 -1.25 -4.87 119.66 113.95 1u83 s GLN 20 Ca 0.08 0.99 0.00 0.00 0.02 0.00 0.00 55.36 56.45 1u83 s GLN 20 Cb -0.03 -2.22 0.03 0.00 1.00 0.00 0.00 33.01 31.79 1u83 s GLN 20 CO 0.10 -0.06 -0.11 -1.12 -2.12 0.00 0.00 175.29 171.98 1u83 s SER 21 N -2.43 2.63 -0.32 5.90 0.01 -1.26 -1.18 113.70 117.05 1u83 s SER 21 Ca 0.60 -0.49 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 1u83 s SER 21 Cb -0.09 -1.06 0.02 0.00 0.21 0.00 0.00 66.02 65.09 1u83 s SER 21 CO 0.18 -0.10 0.10 -0.63 0.41 0.00 0.00 173.24 173.21 1u83 s ILE 22 N 1.56 4.00 0.26 1.44 1.01 0.75 -2.21 121.20 128.01 1u83 s ILE 22 Ca 0.04 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 1u83 s ILE 22 Cb -0.13 -3.14 -0.07 0.00 0.01 0.00 0.00 42.46 39.13 1u83 s ILE 22 CO -0.09 -0.03 0.59 -0.76 0.00 0.00 0.00 174.94 174.65 1u83 s LEU 23 N 1.48 4.11 -0.14 2.97 1.02 -0.43 -1.54 118.68 126.15 1u83 s LEU 23 Ca 0.01 0.94 -0.02 0.00 0.02 0.00 0.00 54.13 55.08 1u83 s LEU 23 Cb -0.18 -3.73 -0.02 0.00 0.02 0.00 0.00 46.19 42.28 1u83 s LEU 23 CO 0.03 -0.13 -0.07 -0.51 0.02 0.00 0.00 176.35 175.69 1u83 s ILE 24 N -1.92 3.59 -0.37 -0.59 2.07 -0.44 -0.12 121.20 123.42 1u83 s ILE 24 Ca 0.48 -0.47 -0.13 0.00 -1.41 0.00 0.00 60.65 59.12 1u83 s ILE 24 Cb -0.11 -2.55 0.01 0.00 0.13 0.00 0.00 42.46 39.94 1u83 s ILE 24 CO 0.23 0.51 0.24 -0.62 -1.91 0.00 0.00 174.94 173.39 1u83 s ASP 25 N 0.32 5.94 -0.08 4.50 -1.08 0.29 -4.32 116.67 122.24 1u83 s ASP 25 Ca -0.06 -0.71 0.14 0.00 -0.52 0.00 0.00 52.55 51.40 1u83 s ASP 25 Cb -0.15 -2.11 0.54 0.00 -1.46 0.00 0.00 42.92 39.75 1u83 s ASP 25 CO 0.04 -0.33 1.42 -0.46 0.52 0.00 0.00 175.17 176.35 1u83 n ASN 26 N 5.09 3.68 0.00 -0.34 6.94 -1.26 -1.31 115.26 128.06 1u83 n ASN 26 Ca -0.12 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.12 1u83 n ASN 26 Cb 0.48 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 1u83 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u83 n GLY 27 N 0.95 1.20 3.77 4.83 0.00 -1.26 -5.00 105.19 109.68 1u83 n GLY 27 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1u83 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u83 s TYR 28 N -2.00 2.94 0.62 1.61 2.02 -1.26 -4.98 117.35 116.30 1u83 s TYR 28 Ca 0.00 1.49 -0.18 0.00 -0.37 0.00 0.00 57.07 58.01 1u83 s TYR 28 Cb 0.00 -3.53 -0.02 0.00 -0.40 0.00 0.00 41.96 38.01 1u83 s TYR 28 CO 0.00 -1.70 1.19 -1.25 -1.57 0.00 0.00 175.55 172.22 1u83 s PRO 29 N -2.27 2.81 0.15 -1.71 0.04 -1.26 -4.79 135.00 127.97 1u83 s PRO 29 Ca 0.57 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 1u83 s PRO 29 Cb -0.34 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1u83 s PRO 29 CO 0.44 -1.31 1.59 1.25 0.04 0.00 0.00 177.00 179.01 1u83 h LEU 30 N 0.56 -1.20 -0.79 -3.56 5.85 -1.96 -1.18 115.31 113.04 1u83 h LEU 30 Ca -0.49 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1u83 h LEU 30 Cb 1.29 0.53 -0.04 0.00 0.37 0.00 0.00 40.66 42.80 1u83 h LEU 30 CO 0.54 -0.36 0.48 1.56 -0.34 0.00 0.00 178.44 180.32 1u83 h GLN 31 N -0.35 1.07 -0.67 1.25 1.08 -1.99 0.20 115.11 115.69 1u83 h GLN 31 Ca 0.13 -0.09 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1u83 h GLN 31 Cb 0.57 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 1u83 h GLN 31 CO -0.48 0.75 0.13 0.35 -0.95 0.00 0.00 178.83 178.63 1u83 h PHE 32 N 1.08 1.17 -0.06 2.96 3.57 -1.90 -0.80 116.94 122.95 1u83 h PHE 32 Ca 0.28 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1u83 h PHE 32 Cb -0.05 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.34 1u83 h PHE 32 CO -0.01 0.97 -0.08 0.35 -2.23 0.00 0.00 178.31 177.31 1u83 h PHE 33 N 1.03 -0.19 -0.65 0.41 3.57 -0.43 0.88 116.94 121.56 1u83 h PHE 33 Ca 0.21 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1u83 h PHE 33 Cb 0.41 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1u83 h PHE 33 CO 0.03 -0.12 0.34 0.87 -2.23 0.00 0.00 178.31 177.20 1u83 h LYS 34 N -0.11 0.92 -0.39 1.11 1.57 -0.76 -1.30 116.57 117.61 1u83 h LYS 34 Ca 0.05 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1u83 h LYS 34 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1u83 h LYS 34 CO -0.12 0.71 0.23 0.22 -0.57 0.00 0.00 179.45 179.92 1u83 h ASP 35 N 0.90 0.48 -0.41 0.86 3.58 -0.81 -0.28 116.42 120.73 1u83 h ASP 35 Ca 0.23 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 1u83 h ASP 35 Cb 0.07 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1u83 h ASP 35 CO -0.03 0.41 0.08 0.00 -2.88 0.00 0.00 179.24 176.81 1u83 h ALA 36 N 1.09 0.55 -0.55 -0.78 0.00 -0.58 -1.89 119.26 117.10 1u83 h ALA 36 Ca 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1u83 h ALA 36 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1u83 h ALA 36 CO -0.02 0.25 0.15 0.82 0.00 0.00 0.00 179.25 180.44 1u83 h ILE 37 N 0.53 1.24 -0.68 0.00 1.08 -1.10 -2.68 117.51 115.90 1u83 h ILE 37 Ca 0.13 -0.85 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1u83 h ILE 37 Cb 0.35 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1u83 h ILE 37 CO 0.01 0.31 0.33 0.00 -0.69 0.00 0.00 178.15 178.11 1u83 h ALA 38 N 1.02 0.88 0.00 1.87 0.00 -0.93 0.43 119.26 122.53 1u83 h ALA 38 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1u83 h ALA 38 Cb 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1u83 h ALA 38 CO -0.00 0.44 -0.04 0.78 0.00 0.00 0.00 179.25 180.42 1u83 h GLY 39 N 0.95 0.00 -0.62 0.00 0.00 -1.21 -3.36 103.07 98.83 1u83 h GLY 39 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1u83 h GLY 39 CO -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.20 1u83 n ALA 40 N -2.12 1.80 -0.34 3.60 0.00 -1.02 -4.92 120.51 117.51 1u83 n ALA 40 Ca 0.01 -1.07 0.19 0.00 0.00 0.00 0.00 53.44 52.57 1u83 n ALA 40 Cb 0.38 -0.35 0.40 0.00 0.00 0.00 0.00 19.45 19.88 1u83 n ALA 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u83 h SER 41 N 0.00 0.62 -0.11 0.00 4.64 -1.06 -0.14 113.55 117.50 1u83 h SER 41 Ca 0.00 0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1u83 h SER 41 Cb 1.23 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1u83 h SER 41 CO 0.00 0.04 0.14 0.44 -0.87 0.00 0.00 176.83 176.58 1u83 h ASP 42 N 0.51 0.00 -0.51 4.97 3.32 -1.89 -1.63 116.42 121.19 1u83 h ASP 42 Ca 0.66 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.71 1u83 h ASP 42 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1u83 h ASP 42 CO -0.51 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.79 1u83 n TYR 43 N -3.70 0.68 -4.27 4.55 4.01 -0.07 -4.86 117.16 113.51 1u83 n TYR 43 Ca -0.00 -0.46 -0.33 0.00 -0.16 0.00 0.00 57.90 56.95 1u83 n TYR 43 Cb 0.25 -0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.11 1u83 n TYR 43 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1u83 s ILE 44 N -1.04 2.51 -0.17 -0.72 1.01 -0.61 -4.69 121.20 117.49 1u83 s ILE 44 Ca 0.36 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 60.30 1u83 s ILE 44 Cb 0.19 -2.07 -0.17 0.00 0.01 0.00 0.00 42.46 40.42 1u83 s ILE 44 CO 0.25 0.51 -0.03 0.47 0.00 0.00 0.00 174.94 176.14 1u83 n ASP 45 N 4.41 1.62 -4.03 3.58 8.00 -0.94 -4.74 116.55 124.46 1u83 n ASP 45 Ca -0.20 -0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.18 1u83 n ASP 45 Cb 0.51 0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 41.94 1u83 n ASP 45 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1u83 s PHE 46 N -2.39 0.38 -0.08 1.24 0.08 -1.00 -1.33 117.98 114.88 1u83 s PHE 46 Ca -0.15 -0.73 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 1u83 s PHE 46 Cb 0.05 -0.27 0.03 0.00 -0.57 0.00 0.00 43.02 42.26 1u83 s PHE 46 CO 0.57 -0.25 -0.03 0.08 -0.10 0.00 0.00 175.22 175.50 1u83 s VAL 47 N -2.37 0.59 -0.23 -0.44 1.01 -0.06 -1.31 120.40 117.60 1u83 s VAL 47 Ca -0.07 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1u83 s VAL 47 Cb -0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1u83 s VAL 47 CO -0.04 0.29 0.20 -0.75 0.00 0.00 0.00 175.10 174.80 1u83 s LYS 48 N 1.82 4.11 -0.64 2.72 2.20 0.83 -2.79 119.74 127.99 1u83 s LYS 48 Ca 0.04 -0.17 -0.26 0.00 -0.36 0.00 0.00 55.97 55.22 1u83 s LYS 48 Cb -0.12 -3.52 0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1u83 s LYS 48 CO -0.06 0.08 1.11 -0.06 -0.36 0.00 0.00 175.35 176.07 1u83 s PHE 49 N 0.98 2.57 0.15 4.03 0.08 -0.34 -0.55 117.98 124.90 1u83 s PHE 49 Ca 0.10 -0.02 -0.32 0.00 0.12 0.00 0.00 56.93 56.81 1u83 s PHE 49 Cb -0.13 -4.39 -0.17 0.00 -0.57 0.00 0.00 43.02 37.75 1u83 s PHE 49 CO 0.04 -1.69 0.79 0.41 -0.10 0.00 0.00 175.22 174.67 1u83 n GLY 50 N 5.22 -1.01 2.40 4.36 0.00 -0.42 -1.23 105.19 114.51 1u83 n GLY 50 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1u83 n GLY 50 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1u83 n TRP 51 N 0.61 0.00 -0.49 1.61 2.14 -1.26 -0.84 117.44 119.20 1u83 n TRP 51 Ca 0.17 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.82 1u83 n TRP 51 Cb 0.21 0.00 0.34 0.00 -0.81 0.00 0.00 31.31 31.05 1u83 n TRP 51 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1u83 n GLY 52 N 0.00 2.58 0.31 -1.67 0.00 -1.26 -3.73 105.19 101.42 1u83 n GLY 52 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.31 1u83 n GLY 52 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1u83 h THR 53 N 3.60 1.03 -0.53 2.61 1.35 -1.27 -2.43 112.91 117.28 1u83 h THR 53 Ca 0.00 -0.14 0.08 0.00 -0.55 0.00 0.00 66.41 65.80 1u83 h THR 53 Cb 1.53 0.59 -0.03 0.00 -1.73 0.00 0.00 68.15 68.50 1u83 h THR 53 CO 0.31 0.07 0.35 0.77 -0.25 0.00 0.00 175.52 176.77 1u83 h SER 54 N 0.41 0.34 0.21 5.36 4.64 -1.80 -1.12 113.55 121.60 1u83 h SER 54 Ca 0.15 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1u83 h SER 54 Cb 0.11 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1u83 h SER 54 CO -0.04 0.22 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.88 1u83 h LEU 55 N 0.39 0.00 -2.75 5.97 3.38 -1.79 -2.31 115.31 118.19 1u83 h LEU 55 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1u83 h LEU 55 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1u83 h LEU 55 CO -0.06 0.19 0.00 0.18 0.09 0.00 0.00 178.44 178.84 1u83 n LEU 56 N -4.23 3.91 -4.45 1.67 4.77 -0.46 -4.87 117.00 113.34 1u83 n LEU 56 Ca -0.02 -1.99 -0.44 0.00 -0.03 0.00 0.00 56.01 53.53 1u83 n LEU 56 Cb 0.26 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 1u83 n LEU 56 CO 0.36 0.98 0.24 -0.89 -1.33 0.00 0.00 177.39 176.75 1u83 s THR 57 N -1.01 4.97 0.21 -5.08 2.01 -0.87 -4.93 115.64 110.93 1u83 s THR 57 Ca 0.48 -0.47 0.24 0.00 0.31 0.00 0.00 61.69 62.25 1u83 s THR 57 Cb 0.25 -4.20 0.23 0.00 0.01 0.00 0.00 72.50 68.79 1u83 s THR 57 CO 0.33 -0.66 1.87 0.11 -0.69 0.00 0.00 174.62 175.58 1u83 h LYS 58 N 8.89 0.00 -0.66 4.92 1.79 -1.89 -3.06 116.57 126.56 1u83 h LYS 58 Ca -0.27 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.86 1u83 h LYS 58 Cb 1.10 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.55 1u83 h LYS 58 CO 0.91 0.22 0.26 -0.25 -1.08 0.00 0.00 179.45 179.51 1u83 n ASP 59 N -3.47 3.07 -0.15 0.86 8.00 -1.26 -4.71 116.55 118.88 1u83 n ASP 59 Ca -0.00 -3.71 -0.03 0.00 0.71 0.00 0.00 54.79 51.75 1u83 n ASP 59 Cb 0.39 -0.73 0.06 0.00 -0.02 0.00 0.00 41.12 40.82 1u83 n ASP 59 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1u83 h LEU 60 N 1.01 0.10 -0.57 0.64 5.85 -1.88 -1.51 115.31 118.94 1u83 h LEU 60 Ca 0.42 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.30 1u83 h LEU 60 Cb 2.23 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 43.26 1u83 h LEU 60 CO 0.73 0.08 0.20 -0.08 -0.34 0.00 0.00 178.44 179.04 1u83 h GLU 61 N 0.29 0.37 -0.38 1.25 4.22 -1.88 -0.46 114.58 118.00 1u83 h GLU 61 Ca 0.23 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.54 1u83 h GLU 61 Cb 0.28 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1u83 h GLU 61 CO -0.27 0.24 -0.21 0.93 -2.18 0.00 0.00 179.01 177.52 1u83 h GLU 62 N 0.38 0.74 -0.17 1.92 3.07 -1.76 -0.99 114.58 117.77 1u83 h GLU 62 Ca 0.28 -0.29 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1u83 h GLU 62 Cb 0.34 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1u83 h GLU 62 CO -0.29 0.89 0.08 0.87 -1.40 0.00 0.00 179.01 179.16 1u83 h LYS 63 N 0.65 0.24 -0.75 2.33 1.57 -0.47 -1.07 116.57 119.05 1u83 h LYS 63 Ca 0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1u83 h LYS 63 Cb 0.71 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1u83 h LYS 63 CO 0.05 0.26 0.42 0.82 -0.57 0.00 0.00 179.45 180.44 1u83 h ILE 64 N 0.15 1.22 -0.74 1.86 2.04 -0.95 -1.61 117.51 119.49 1u83 h ILE 64 Ca 0.06 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1u83 h ILE 64 Cb 0.10 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1u83 h ILE 64 CO -0.01 0.25 0.41 -1.28 0.00 0.00 0.00 178.15 177.52 1u83 h SER 65 N 1.04 0.92 -0.56 1.72 0.87 -0.97 -1.16 113.55 115.41 1u83 h SER 65 Ca 0.27 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1u83 h SER 65 Cb 0.02 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 1u83 h SER 65 CO -0.04 0.75 0.18 0.74 -0.53 0.00 0.00 176.83 177.92 1u83 h THR 66 N 1.02 1.23 -0.05 2.23 2.02 -0.75 -1.56 112.91 117.05 1u83 h THR 66 Ca 0.26 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1u83 h THR 66 Cb 0.02 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1u83 h THR 66 CO -0.04 0.31 -0.02 -0.07 0.37 0.00 0.00 175.52 176.06 1u83 h LEU 67 N 0.88 0.10 -0.99 2.58 3.38 -0.79 -2.60 115.31 117.87 1u83 h LEU 67 Ca 0.20 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.80 1u83 h LEU 67 Cb 0.27 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1u83 h LEU 67 CO -0.01 0.48 0.65 0.11 0.09 0.00 0.00 178.44 179.76 1u83 h LYS 68 N -0.28 1.22 0.00 1.13 1.57 -1.13 -0.25 116.57 118.82 1u83 h LYS 68 Ca 0.01 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1u83 h LYS 68 Cb 0.44 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1u83 h LYS 68 CO 0.01 0.81 -0.08 1.49 -0.57 0.00 0.00 179.45 181.11 1u83 h GLU 69 N 1.25 0.00 -0.33 3.15 4.81 -1.21 -2.12 114.58 120.14 1u83 h GLU 69 Ca 0.39 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 1u83 h GLU 69 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1u83 h GLU 69 CO -0.12 0.08 0.01 0.72 -0.73 0.00 0.00 179.01 178.96 1u83 n HIS 70 N -3.76 1.16 -3.61 0.92 8.25 -0.41 -4.98 115.22 112.79 1u83 n HIS 70 Ca -0.02 -0.96 -0.24 0.00 -0.26 0.00 0.00 57.72 56.24 1u83 n HIS 70 Cb 0.18 -0.38 0.04 0.00 1.12 0.00 0.00 29.99 30.95 1u83 n HIS 70 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1u83 n ASP 71 N -0.46 -3.84 -4.01 0.41 8.00 -0.80 -4.87 116.55 110.98 1u83 n ASP 71 Ca 0.24 -0.88 -0.23 0.00 0.71 0.00 0.00 54.79 54.63 1u83 n ASP 71 Cb 0.97 -4.01 -0.16 0.00 -0.02 0.00 0.00 41.12 37.90 1u83 n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1u83 s ILE 72 N -3.54 1.01 0.42 0.53 1.01 -0.24 -4.87 121.20 115.52 1u83 s ILE 72 Ca 0.28 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 1u83 s ILE 72 Cb -0.08 -0.93 -0.07 0.00 0.01 0.00 0.00 42.46 41.40 1u83 s ILE 72 CO 0.82 0.32 0.81 -0.89 0.00 0.00 0.00 174.94 176.00 1u83 s THR 73 N 0.56 4.73 0.10 2.92 2.01 -0.44 -3.90 115.64 121.63 1u83 s THR 73 Ca -0.11 0.76 0.01 0.00 0.31 0.00 0.00 61.69 62.65 1u83 s THR 73 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1u83 s THR 73 CO 0.03 -0.53 -0.03 0.72 -0.69 0.00 0.00 174.62 174.12 1u83 s PHE 74 N -2.39 0.86 0.09 4.92 -0.12 -1.26 -0.88 117.98 119.19 1u83 s PHE 74 Ca 0.53 -1.02 -0.26 0.00 -0.05 0.00 0.00 56.93 56.14 1u83 s PHE 74 Cb -0.10 -0.51 0.08 0.00 -0.63 0.00 0.00 43.02 41.86 1u83 s PHE 74 CO 0.30 -0.27 0.79 -0.59 -0.05 0.00 0.00 175.22 175.40 1u83 s PHE 75 N -3.76 -0.38 0.10 3.49 -0.12 -1.12 -4.33 117.98 111.86 1u83 s PHE 75 Ca 0.15 0.18 -0.06 0.00 -0.05 0.00 0.00 56.93 57.14 1u83 s PHE 75 Cb 0.06 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.97 1u83 s PHE 75 CO -0.04 -0.72 0.36 -0.06 -0.05 0.00 0.00 175.22 174.71 1u83 s PHE 76 N -3.40 3.52 0.53 3.49 0.08 -1.26 -1.20 117.98 119.74 1u83 s PHE 76 Ca 0.05 0.61 -0.20 0.00 0.12 0.00 0.00 56.93 57.50 1u83 s PHE 76 Cb -0.01 -2.04 -0.07 0.00 -0.57 0.00 0.00 43.02 40.33 1u83 s PHE 76 CO -0.08 0.49 0.91 0.41 -0.10 0.00 0.00 175.22 176.85 1u83 n GLY 77 N 0.47 -0.46 0.32 4.36 0.00 -0.36 -4.01 105.19 105.51 1u83 n GLY 77 Ca -0.05 -0.04 0.21 0.00 0.00 0.00 0.00 46.02 46.13 1u83 n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u83 h GLY 78 N 0.83 0.00 2.00 -0.02 0.00 -1.89 -1.67 103.07 102.33 1u83 h GLY 78 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1u83 h GLY 78 CO 0.52 0.00 -0.26 -0.84 0.00 0.00 0.00 176.54 175.97 1u83 h THR 79 N 0.00 0.96 -0.30 4.70 2.02 -1.89 -1.50 112.91 116.90 1u83 h THR 79 Ca -0.00 -0.95 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 1u83 h THR 79 Cb 0.15 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1u83 h THR 79 CO 0.00 0.25 -0.07 0.25 0.37 0.00 0.00 175.52 176.32 1u83 h LEU 80 N 0.00 0.58 -0.17 2.58 5.85 -1.47 0.57 115.31 123.25 1u83 h LEU 80 Ca -0.00 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.38 1u83 h LEU 80 Cb 0.53 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1u83 h LEU 80 CO 0.03 0.81 0.00 0.15 -0.34 0.00 0.00 178.44 179.10 1u83 h PHE 81 N 0.34 0.00 -0.63 1.25 3.57 -1.51 -2.12 116.94 117.84 1u83 h PHE 81 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1u83 h PHE 81 Cb 0.56 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1u83 h PHE 81 CO 0.05 -0.02 0.37 0.93 -2.23 0.00 0.00 178.31 177.41 1u83 h GLU 82 N 0.06 0.86 -0.18 1.11 5.08 -1.09 -1.13 114.58 119.28 1u83 h GLU 82 Ca 0.08 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u83 h GLU 82 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1u83 h GLU 82 CO -0.13 0.61 0.10 -0.22 -1.00 0.00 0.00 179.01 178.37 1u83 h LYS 83 N 0.87 0.25 -0.34 2.33 1.63 -0.31 0.95 116.57 121.96 1u83 h LYS 83 Ca 0.23 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.92 1u83 h LYS 83 Cb -0.02 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1u83 h LYS 83 CO -0.04 0.24 -0.13 1.88 -3.45 0.00 0.00 179.45 177.94 1u83 h TYR 84 N 0.20 0.64 -0.48 1.91 -1.99 -1.01 -2.76 116.97 113.49 1u83 h TYR 84 Ca 0.07 -0.11 -0.05 0.00 2.00 0.00 0.00 58.73 60.64 1u83 h TYR 84 Cb 0.05 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 1u83 h TYR 84 CO -0.04 0.70 0.12 0.28 -0.00 0.00 0.00 178.16 179.21 1u83 h VAL 85 N 0.54 1.24 -0.07 -2.88 2.07 -0.78 0.15 116.25 116.52 1u83 h VAL 85 Ca 0.10 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1u83 h VAL 85 Cb 0.54 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1u83 h VAL 85 CO 0.03 0.30 0.10 0.77 0.02 0.00 0.00 177.57 178.80 1u83 h SER 86 N 0.65 0.00 -0.28 0.57 4.64 -0.54 -0.43 113.55 118.17 1u83 h SER 86 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1u83 h SER 86 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1u83 h SER 86 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1u83 n GLN 87 N -3.61 2.97 -3.89 4.77 6.02 -0.96 -4.97 117.38 117.70 1u83 n GLN 87 Ca -0.01 -2.78 -0.29 0.00 -0.01 0.00 0.00 57.00 53.91 1u83 n GLN 87 Cb 0.20 -1.80 0.02 0.00 1.02 0.00 0.00 30.24 29.67 1u83 n GLN 87 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1u83 n LYS 88 N -0.39 -5.19 -1.91 -1.09 5.02 -0.17 -4.89 118.16 109.54 1u83 n LYS 88 Ca 0.21 0.58 -0.11 0.00 -2.02 0.00 0.00 58.31 56.97 1u83 n LYS 88 Cb 0.86 -5.36 0.06 0.00 -0.02 0.00 0.00 35.03 30.57 1u83 n LYS 88 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1u83 n LYS 89 N -4.58 2.56 -0.18 1.97 5.02 0.48 -4.83 118.16 118.59 1u83 n LYS 89 Ca -0.04 -3.70 0.16 0.00 -2.02 0.00 0.00 58.31 52.70 1u83 n LYS 89 Cb 0.56 -1.84 0.50 0.00 -0.02 0.00 0.00 35.03 34.23 1u83 n LYS 89 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1u83 h VAL 90 N 3.10 0.78 -0.06 -0.18 2.07 -1.89 0.14 116.25 120.20 1u83 h VAL 90 Ca 0.14 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1u83 h VAL 90 Cb 1.41 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1u83 h VAL 90 CO 0.45 0.08 -0.29 0.78 0.02 0.00 0.00 177.57 178.60 1u83 h ASN 91 N 0.43 0.11 -0.41 0.57 2.35 -1.93 -0.90 115.58 115.80 1u83 h ASN 91 Ca 0.39 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.98 1u83 h ASN 91 Cb 0.89 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 1u83 h ASN 91 CO -0.13 0.40 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.46 1u83 h GLU 92 N 0.10 0.90 -0.47 0.81 5.08 -1.37 -0.12 114.58 119.51 1u83 h GLU 92 Ca 0.01 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1u83 h GLU 92 Cb 0.57 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1u83 h GLU 92 CO 0.04 1.07 0.29 0.35 -1.00 0.00 0.00 179.01 179.77 1u83 h PHE 93 N 0.72 0.55 -0.06 4.33 3.57 -1.12 0.28 116.94 125.20 1u83 h PHE 93 Ca 0.08 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1u83 h PHE 93 Cb 0.84 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1u83 h PHE 93 CO 0.06 0.33 -0.03 1.25 -2.23 0.00 0.00 178.31 177.69 1u83 h HIS 94 N 0.59 -0.06 0.00 0.41 2.76 -0.91 -0.39 115.15 117.54 1u83 h HIS 94 Ca 0.19 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1u83 h HIS 94 Cb -0.01 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1u83 h HIS 94 CO -0.06 -0.05 -0.16 0.00 -1.30 0.00 0.00 177.93 176.36 1u83 h ARG 95 N -0.02 0.00 -0.06 5.26 3.08 -0.51 -1.20 114.38 120.93 1u83 h ARG 95 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1u83 h ARG 95 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1u83 h ARG 95 CO -0.08 0.16 -0.09 -0.92 -1.07 0.00 0.00 179.97 177.98 1u83 h TYR 96 N 0.00 0.20 -0.40 3.04 3.20 0.40 -0.30 116.97 123.11 1u83 h TYR 96 Ca -0.00 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 1u83 h TYR 96 Cb 0.36 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1u83 h TYR 96 CO 0.00 0.65 -0.15 0.00 -1.64 0.00 0.00 178.16 177.02 1u83 h THR 98 N 0.66 1.28 -0.34 0.00 2.02 -1.24 0.01 112.91 115.30 1u83 h THR 98 Ca 0.11 -1.58 0.04 0.00 0.77 0.00 0.00 66.41 65.75 1u83 h THR 98 Cb 0.63 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 1u83 h THR 98 CO 0.04 0.52 0.11 0.22 0.37 0.00 0.00 175.52 176.78 1u83 h TYR 99 N 0.67 0.19 0.00 3.16 3.20 -0.86 -1.33 116.97 122.00 1u83 h TYR 99 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1u83 h TYR 99 Cb 1.00 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1u83 h TYR 99 CO 0.07 0.07 0.00 1.19 -1.64 0.00 0.00 178.16 177.85 1u83 n PHE 100 N -5.04 0.00 -2.96 -3.82 3.72 -1.03 -4.90 117.46 103.44 1u83 n PHE 100 Ca 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1u83 n PHE 100 Cb 0.13 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.70 1u83 n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u83 n GLY 101 N 0.67 0.10 3.77 1.37 0.00 -0.50 -4.99 105.19 105.61 1u83 n GLY 101 Ca 0.12 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1u83 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u83 n GLU 103 N 0.84 0.79 -4.35 0.00 2.13 -1.26 -4.87 120.64 113.92 1u83 n GLU 103 Ca 0.00 0.08 -0.24 0.00 0.66 0.00 0.00 57.16 57.66 1u83 n GLU 103 Cb 0.42 -1.43 -0.09 0.00 0.27 0.00 0.00 31.44 30.61 1u83 n GLU 103 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1u83 s TYR 104 N -2.42 2.55 0.00 4.31 2.02 -1.26 -1.00 117.35 121.55 1u83 s TYR 104 Ca -0.22 -0.26 -0.18 0.00 -0.37 0.00 0.00 57.07 56.04 1u83 s TYR 104 Cb 0.07 -1.15 0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1u83 s TYR 104 CO 0.57 0.63 0.39 0.96 -1.57 0.00 0.00 175.55 176.52 1u83 s ILE 105 N -2.25 0.05 -0.11 2.71 -4.36 -1.03 -4.67 121.20 111.55 1u83 s ILE 105 Ca 0.29 -0.43 -0.02 0.00 -0.26 0.00 0.00 60.65 60.23 1u83 s ILE 105 Cb -0.06 -0.80 -0.03 0.00 1.25 0.00 0.00 42.46 42.81 1u83 s ILE 105 CO 0.17 -0.24 -0.01 -0.70 0.24 0.00 0.00 174.94 174.40 1u83 s GLU 106 N -1.79 3.20 -0.11 0.37 2.12 -1.26 -1.51 118.70 119.73 1u83 s GLU 106 Ca -0.10 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 54.81 1u83 s GLU 106 Cb -0.03 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.55 1u83 s GLU 106 CO 0.02 0.55 -0.18 0.42 -0.54 0.00 0.00 175.26 175.53 1u83 s ILE 107 N -0.46 1.66 0.26 -3.70 1.01 -0.49 -4.37 121.20 115.11 1u83 s ILE 107 Ca 0.08 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1u83 s ILE 107 Cb -0.12 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1u83 s ILE 107 CO 0.02 0.47 0.34 -0.94 0.00 0.00 0.00 174.94 174.84 1u83 s SER 108 N 0.77 0.32 -0.22 3.58 1.04 -1.26 -1.75 113.70 116.17 1u83 s SER 108 Ca -0.11 -1.26 0.23 0.00 0.48 0.00 0.00 55.95 55.29 1u83 s SER 108 Cb -0.16 0.53 0.49 0.00 0.10 0.00 0.00 66.02 66.98 1u83 s SER 108 CO 0.01 -1.07 1.14 -0.46 0.98 0.00 0.00 173.24 173.85 1u83 n ASN 109 N -0.64 1.31 0.17 7.02 6.94 -1.26 -4.74 115.26 124.06 1u83 n ASN 109 Ca 0.01 -2.03 0.13 0.00 -0.02 0.00 0.00 54.58 52.67 1u83 n ASN 109 Cb 0.63 -0.39 0.40 0.00 -2.36 0.00 0.00 39.78 38.06 1u83 n ASN 109 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1u83 h GLY 110 N 2.27 0.00 0.00 4.83 0.00 -1.90 -3.40 103.07 104.86 1u83 h GLY 110 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1u83 h GLY 110 CO 0.15 0.00 -0.39 2.41 0.00 0.00 0.00 176.54 178.71 1u83 n THR 111 N -2.63 0.60 -2.07 4.70 -1.04 -1.26 -0.49 114.28 112.09 1u83 n THR 111 Ca 0.04 0.20 -0.42 0.00 -2.04 0.00 0.00 64.05 61.82 1u83 n THR 111 Cb 0.40 -1.41 -0.03 0.00 -1.82 0.00 0.00 70.33 67.47 1u83 n THR 111 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1u83 s LEU 112 N -6.50 4.33 0.29 -4.42 2.96 -1.26 -5.03 118.68 109.05 1u83 s LEU 112 Ca 0.00 2.26 -0.30 0.00 -0.22 0.00 0.00 54.13 55.87 1u83 s LEU 112 Cb 0.00 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.02 1u83 s LEU 112 CO 0.00 -0.83 1.56 -0.81 -1.32 0.00 0.00 176.35 174.95 1u83 n PRO 113 N 5.92 2.59 -4.23 0.98 -0.04 -1.26 -4.84 135.00 134.12 1u83 n PRO 113 Ca 0.15 0.92 -0.25 0.00 -0.04 0.00 0.00 63.50 64.28 1u83 n PRO 113 Cb 0.42 -2.68 -0.07 0.00 -0.04 0.00 0.00 33.50 31.13 1u83 n PRO 113 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1u83 s THR 115 N -0.02 3.69 0.36 0.52 -4.23 -1.26 -5.17 115.64 109.53 1u83 s THR 115 Ca 0.65 -1.58 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 1u83 s THR 115 Cb -0.52 -2.91 0.22 0.00 1.34 0.00 0.00 72.50 70.63 1u83 s THR 115 CO 0.49 -0.22 1.97 -1.13 -0.54 0.00 0.00 174.62 175.19 1u83 h ASN 116 N 2.33 0.54 -0.46 3.99 -1.24 -1.98 -0.85 115.58 117.91 1u83 h ASN 116 Ca -0.46 -0.05 0.03 0.00 0.71 0.00 0.00 56.30 56.53 1u83 h ASN 116 Cb 1.22 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 40.10 1u83 h ASN 116 CO 0.59 0.48 0.25 0.11 -1.29 0.00 0.00 177.43 177.58 1u83 h LYS 117 N 0.61 0.49 -0.55 6.67 1.57 -1.98 0.63 116.57 124.01 1u83 h LYS 117 Ca 0.15 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1u83 h LYS 117 Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1u83 h LYS 117 CO -0.02 0.33 0.01 0.93 -0.57 0.00 0.00 179.45 180.13 1u83 h GLU 118 N 0.51 0.93 -0.72 3.15 5.08 -1.81 -2.03 114.58 119.69 1u83 h GLU 118 Ca 0.19 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1u83 h GLU 118 Cb 0.06 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1u83 h GLU 118 CO -0.11 0.91 0.29 -0.22 -1.00 0.00 0.00 179.01 178.88 1u83 h LYS 119 N 0.86 1.07 -0.45 2.33 3.64 -0.02 -2.42 116.57 121.57 1u83 h LYS 119 Ca 0.16 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1u83 h LYS 119 Cb 0.49 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1u83 h LYS 119 CO 0.02 0.87 0.17 0.00 -2.27 0.00 0.00 179.45 178.25 1u83 h ALA 120 N 1.14 1.45 -0.45 5.00 0.00 0.69 -1.36 119.26 125.74 1u83 h ALA 120 Ca 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1u83 h ALA 120 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1u83 h ALA 120 CO -0.02 0.42 0.10 0.00 0.00 0.00 0.00 179.25 179.75 1u83 h ALA 121 N 1.55 1.35 -0.15 0.00 0.00 -0.88 -0.24 119.26 120.89 1u83 h ALA 121 Ca 0.16 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1u83 h ALA 121 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1u83 h ALA 121 CO -0.01 0.47 -0.58 1.88 0.00 0.00 0.00 179.25 181.00 1u83 h TYR 122 N 0.65 0.60 -0.13 0.00 -1.99 -1.08 -1.32 116.97 113.69 1u83 h TYR 122 Ca 0.15 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1u83 h TYR 122 Cb 0.25 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1u83 h TYR 122 CO 0.01 0.93 0.08 0.82 -0.00 0.00 0.00 178.16 180.01 1u83 h ILE 123 N 0.36 1.05 -0.51 -2.88 2.04 -0.47 -1.88 117.51 115.21 1u83 h ILE 123 Ca 0.00 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1u83 h ILE 123 Cb 1.11 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1u83 h ILE 123 CO 0.10 0.05 0.29 0.00 0.00 0.00 0.00 178.15 178.59 1u83 h ALA 124 N 1.03 0.65 -0.89 1.87 0.00 -0.93 -0.41 119.26 120.57 1u83 h ALA 124 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1u83 h ALA 124 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1u83 h ALA 124 CO -0.01 -0.02 0.52 -0.44 0.00 0.00 0.00 179.25 179.30 1u83 h ASP 125 N 0.58 1.09 1.30 0.00 3.32 -0.97 -3.10 116.42 118.64 1u83 h ASP 125 Ca 0.21 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1u83 h ASP 125 Cb 0.05 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1u83 h ASP 125 CO -0.11 0.85 -0.63 -0.26 -1.72 0.00 0.00 179.24 177.38 1u83 h PHE 126 N 1.24 0.00 0.00 4.55 0.04 -1.13 -3.37 116.94 118.27 1u83 h PHE 126 Ca 0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1u83 h PHE 126 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1u83 h PHE 126 CO 0.00 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.37 1u83 h SER 127 N 0.00 0.00 -0.09 2.17 4.64 -0.99 0.11 113.55 119.38 1u83 h SER 127 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u83 h SER 127 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1u83 h SER 127 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1u83 n ASP 128 N -2.91 1.49 0.00 4.97 5.75 -1.26 -4.07 116.55 120.52 1u83 n ASP 128 Ca -0.02 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 1u83 n ASP 128 Cb 0.09 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1u83 n ASP 128 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1u83 n GLU 129 N 0.18 2.99 -4.10 0.11 1.02 -0.53 -5.10 120.64 115.21 1u83 n GLU 129 Ca 0.18 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.24 1u83 n GLU 129 Cb 0.32 -0.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.95 1u83 n GLU 129 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1u83 s PHE 130 N -0.98 0.58 -0.22 -0.32 0.08 0.25 -4.99 117.98 112.38 1u83 s PHE 130 Ca 0.00 -1.00 -0.21 0.00 0.12 0.00 0.00 56.93 55.83 1u83 s PHE 130 Cb 0.00 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 42.03 1u83 s PHE 130 CO 0.00 -0.32 0.67 -0.51 -0.10 0.00 0.00 175.22 174.96 1u83 s LEU 131 N -2.85 4.11 -0.17 -0.37 1.43 -0.17 -4.17 118.68 116.49 1u83 s LEU 131 Ca 0.07 0.84 -0.10 0.00 -1.03 0.00 0.00 54.13 53.91 1u83 s LEU 131 Cb 0.06 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1u83 s LEU 131 CO -0.08 -0.35 0.15 -0.69 0.23 0.00 0.00 176.35 175.60 1u83 s VAL 132 N 2.27 5.42 -0.24 -1.59 1.01 -1.26 -2.46 120.40 123.55 1u83 s VAL 132 Ca 0.29 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 1u83 s VAL 132 Cb -0.16 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1u83 s VAL 132 CO 0.09 0.49 -0.00 -0.76 0.00 0.00 0.00 175.10 174.92 1u83 s LEU 133 N -0.02 3.20 0.26 3.92 1.43 -0.57 0.49 118.68 127.39 1u83 s LEU 133 Ca 0.11 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1u83 s LEU 133 Cb -0.11 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1u83 s LEU 133 CO 0.00 -0.07 0.26 -0.94 0.23 0.00 0.00 176.35 175.83 1u83 s SER 134 N 1.49 5.69 -0.06 2.29 1.04 -1.02 -1.39 113.70 121.72 1u83 s SER 134 Ca 0.05 -0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.31 1u83 s SER 134 Cb -0.15 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1u83 s SER 134 CO -0.01 -0.10 -0.18 -0.70 0.98 0.00 0.00 173.24 173.22 1u83 s GLU 135 N -3.91 2.13 -0.23 4.02 2.12 -0.72 0.20 118.70 122.31 1u83 s GLU 135 Ca 0.35 -0.64 -0.07 0.00 0.36 0.00 0.00 54.97 54.96 1u83 s GLU 135 Cb -0.08 -1.74 -0.03 0.00 0.26 0.00 0.00 34.13 32.54 1u83 s GLU 135 CO 0.26 0.18 0.07 0.08 -0.54 0.00 0.00 175.26 175.31 1u83 s VAL 136 N 0.28 4.43 0.00 3.70 1.01 -0.15 -4.44 120.40 125.23 1u83 s VAL 136 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1u83 s VAL 136 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1u83 s VAL 136 CO 0.04 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1u83 n GLY 137 N 4.62 3.40 3.30 4.51 0.00 -1.26 -4.45 105.19 115.30 1u83 n GLY 137 Ca -0.16 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 1u83 n GLY 137 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u83 s SER 138 N 0.00 2.57 0.00 1.61 0.15 -1.26 -3.69 113.70 113.07 1u83 s SER 138 Ca 0.00 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1u83 s SER 138 Cb 0.00 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 1u83 s SER 138 CO 0.00 0.02 0.93 0.29 1.20 0.00 0.00 173.24 175.68 1u83 n LYS 139 N 0.78 0.93 0.00 5.44 4.01 0.36 -5.00 118.16 124.68 1u83 n LYS 139 Ca -0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 1u83 n LYS 139 Cb 0.55 -1.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.07 1u83 n LYS 139 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1u83 n ASP 140 N -0.50 0.00 0.00 4.39 8.00 -1.26 -5.08 116.55 122.09 1u83 n ASP 140 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1u83 n ASP 140 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1u83 n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u83 n GLN 147 N 0.00 0.00 -5.08 -1.24 10.64 -1.26 -5.24 117.38 115.20 1u83 n GLN 147 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 1u83 n GLN 147 Cb 0.00 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.21 1u83 n GLN 147 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1u83 s SER 148 N -4.00 2.80 0.00 2.61 1.04 -1.26 -5.10 113.70 109.79 1u83 s SER 148 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1u83 s SER 148 Cb 0.00 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.86 1u83 s SER 148 CO 0.00 0.14 0.00 -1.54 0.98 0.00 0.00 173.24 172.82 1u83 n SER 149 N 3.56 0.00 -0.94 7.02 3.41 -1.26 -4.83 113.62 120.58 1u83 n SER 149 Ca -0.20 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.44 1u83 n SER 149 Cb 0.53 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.63 1u83 n SER 149 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u83 n GLU 150 N 0.00 2.36 0.21 4.33 -0.58 -1.26 -3.54 120.64 122.15 1u83 n GLU 150 Ca 0.00 -1.21 0.14 0.00 -0.42 0.00 0.00 57.16 55.68 1u83 n GLU 150 Cb 0.00 -1.68 0.73 0.00 -0.57 0.00 0.00 31.44 29.92 1u83 n GLU 150 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1u83 h GLU 151 N 1.61 0.00 -0.08 3.49 3.07 -1.99 -1.40 114.58 119.28 1u83 h GLU 151 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1u83 h GLU 151 Cb 0.93 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.79 1u83 h GLU 151 CO 0.15 0.00 -0.24 2.35 -1.40 0.00 0.00 179.01 179.87 1u83 h TRP 152 N 0.00 -0.65 -0.82 4.33 -0.00 -1.91 0.20 115.95 117.11 1u83 h TRP 152 Ca 0.00 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.97 1u83 h TRP 152 Cb 0.08 0.30 -0.05 0.00 -0.00 0.00 0.00 29.16 29.49 1u83 h TRP 152 CO 0.00 -0.33 0.53 -0.07 -0.00 0.00 0.00 178.44 178.58 1u83 h LEU 153 N -0.33 0.83 -0.36 0.65 3.38 -1.57 -1.03 115.31 116.87 1u83 h LEU 153 Ca 0.09 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1u83 h LEU 153 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1u83 h LEU 153 CO -0.27 0.55 0.06 -0.33 0.09 0.00 0.00 178.44 178.54 1u83 h GLU 154 N 0.95 0.60 -0.56 1.13 5.08 -1.20 -1.70 114.58 118.89 1u83 h GLU 154 Ca 0.34 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1u83 h GLU 154 Cb 0.13 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1u83 h GLU 154 CO -0.11 0.67 0.18 1.88 -1.00 0.00 0.00 179.01 180.63 1u83 h TYR 155 N 0.44 0.84 0.04 4.33 0.05 0.10 0.58 116.97 123.36 1u83 h TYR 155 Ca 0.11 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1u83 h TYR 155 Cb 0.35 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.84 1u83 h TYR 155 CO 0.02 0.68 -0.02 0.82 -1.05 0.00 0.00 178.16 178.61 1u83 h ILE 156 N 0.81 1.10 -0.40 -2.88 2.04 -0.93 0.95 117.51 118.20 1u83 h ILE 156 Ca 0.19 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1u83 h ILE 156 Cb 0.22 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1u83 h ILE 156 CO -0.01 0.12 0.25 0.58 0.00 0.00 0.00 178.15 179.09 1u83 h VAL 157 N -0.26 1.08 -0.38 1.67 2.07 -1.11 -2.47 116.25 116.84 1u83 h VAL 157 Ca -0.01 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1u83 h VAL 157 Cb 0.24 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1u83 h VAL 157 CO 0.01 0.09 0.04 -0.08 0.02 0.00 0.00 177.57 177.66 1u83 h GLU 158 N 0.52 0.15 -0.66 1.57 4.81 -0.73 0.11 114.58 120.35 1u83 h GLU 158 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1u83 h GLU 158 Cb -0.03 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1u83 h GLU 158 CO -0.05 0.10 0.00 -0.25 -0.73 0.00 0.00 179.01 178.08 1u83 n ASP 159 N -5.13 0.00 0.00 1.04 9.92 0.31 -1.26 116.55 121.43 1u83 n ASP 159 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1u83 n ASP 159 Cb 0.18 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1u83 n ASP 159 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1u83 n GLU 161 N 0.66 0.00 0.17 -1.24 1.02 0.39 -2.05 120.64 119.60 1u83 n GLU 161 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1u83 n GLU 161 Cb 0.00 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 31.90 1u83 n GLU 161 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u83 h ALA 162 N 0.00 1.00 0.00 0.62 0.00 -1.43 -3.47 119.26 115.99 1u83 h ALA 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u83 h ALA 162 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u83 h ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1u83 n GLY 163 N 0.47 1.73 3.68 0.00 0.00 -0.98 -3.33 105.19 106.76 1u83 n GLY 163 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1u83 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u83 s ALA 164 N -2.00 3.59 0.15 4.61 0.00 -0.87 -4.50 121.76 122.74 1u83 s ALA 164 Ca 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 51.96 52.60 1u83 s ALA 164 Cb 0.00 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.56 1u83 s ALA 164 CO 0.00 -1.00 1.75 1.49 0.00 0.00 0.00 175.76 178.00 1u83 h GLU 165 N 8.07 0.27 -3.61 0.00 4.57 -0.32 -3.45 114.58 120.12 1u83 h GLU 165 Ca -0.36 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 57.72 1u83 h GLU 165 Cb 1.17 -0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.55 1u83 h GLU 165 CO 0.92 0.18 -0.31 0.15 -1.18 0.00 0.00 179.01 178.76 1u83 s LYS 166 N -6.16 0.83 -0.14 1.92 1.02 -1.21 -4.94 119.74 111.05 1u83 s LYS 166 Ca -0.13 -0.77 -0.00 0.00 0.02 0.00 0.00 55.97 55.08 1u83 s LYS 166 Cb 0.12 0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 37.76 1u83 s LYS 166 CO 0.71 -0.27 -0.13 0.08 -0.92 0.00 0.00 175.35 174.82 1u83 s VAL 167 N -3.33 2.93 -0.16 3.17 1.01 -0.37 -2.45 120.40 121.20 1u83 s VAL 167 Ca 0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 1u83 s VAL 167 Cb 0.02 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1u83 s VAL 167 CO -0.08 0.51 0.29 -0.63 0.00 0.00 0.00 175.10 175.19 1u83 s ILE 168 N 0.59 5.31 0.33 2.22 1.01 0.13 -0.93 121.20 129.86 1u83 s ILE 168 Ca -0.08 0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.18 1u83 s ILE 168 Cb -0.16 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1u83 s ILE 168 CO 0.03 0.39 0.30 0.28 0.00 0.00 0.00 174.94 175.94 1u83 s THR 169 N 0.49 0.00 0.33 2.92 -1.32 -0.18 -0.97 115.64 116.90 1u83 s THR 169 Ca 0.16 -1.96 0.09 0.00 -1.21 0.00 0.00 61.69 58.78 1u83 s THR 169 Cb -0.13 -2.52 -0.05 0.00 -1.51 0.00 0.00 72.50 68.29 1u83 s THR 169 CO 0.04 0.00 0.05 -1.61 -2.21 0.00 0.00 174.62 170.89 1u83 s GLU 170 N -3.40 2.20 -0.42 7.08 8.01 -1.26 -1.77 118.70 129.14 1u83 s GLU 170 Ca 0.40 -1.63 0.04 0.00 0.01 0.00 0.00 54.97 53.79 1u83 s GLU 170 Cb 0.02 -2.04 0.17 0.00 -4.31 0.00 0.00 34.13 27.97 1u83 s GLU 170 CO 0.27 0.17 0.44 1.14 0.01 0.00 0.00 175.26 177.29 1u83 s GLN 189 N -3.75 0.84 -0.14 1.61 0.00 -1.26 -4.89 119.66 112.07 1u83 s GLN 189 Ca 0.35 -1.38 0.17 0.00 -0.00 0.00 0.00 55.36 54.50 1u83 s GLN 189 Cb -0.02 -0.83 -0.24 0.00 0.00 0.00 0.00 33.01 31.92 1u83 s GLN 189 CO 0.20 -1.30 0.28 1.51 0.00 0.00 0.00 175.29 175.98 1u83 n ILE 190 N 3.42 1.40 0.33 3.63 3.06 -1.26 -4.06 119.36 125.88 1u83 n ILE 190 Ca 0.20 -0.82 0.14 0.00 -2.50 0.00 0.00 62.75 59.76 1u83 n ILE 190 Cb 0.48 -0.62 0.73 0.00 0.54 0.00 0.00 39.64 40.78 1u83 n ILE 190 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1u83 h VAL 191 N 0.00 0.01 0.07 9.51 3.04 -1.99 0.33 116.25 127.22 1u83 h VAL 191 Ca -0.44 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1u83 h VAL 191 Cb 2.11 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.99 1u83 h VAL 191 CO 0.04 0.00 -0.03 -0.78 -1.01 0.00 0.00 177.57 175.79 1u83 h ASP 192 N 0.00 -0.08 -0.64 3.17 1.82 -1.99 -1.10 116.42 117.59 1u83 h ASP 192 Ca 0.01 -0.27 -0.08 0.00 -0.39 0.00 0.00 57.03 56.29 1u83 h ASP 192 Cb 0.82 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.82 1u83 h ASP 192 CO -0.00 0.23 0.08 0.44 -1.61 0.00 0.00 179.24 178.38 1u83 h ASP 193 N -0.40 1.05 -0.71 2.28 3.32 -0.60 -2.40 116.42 118.97 1u83 h ASP 193 Ca -0.01 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1u83 h ASP 193 Cb 0.35 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1u83 h ASP 193 CO 0.02 1.06 0.45 0.40 -1.72 0.00 0.00 179.24 179.44 1u83 h ILE 194 N 1.02 1.19 -0.34 0.35 1.08 -1.32 -1.44 117.51 118.04 1u83 h ILE 194 Ca 0.19 -0.40 -0.07 0.00 -0.39 0.00 0.00 64.86 64.19 1u83 h ILE 194 Cb 0.47 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 1u83 h ILE 194 CO 0.02 0.20 -0.08 0.40 -0.69 0.00 0.00 178.15 177.99 1u83 h ILE 195 N 0.98 1.23 0.00 -0.67 2.04 -0.71 -3.26 117.51 117.12 1u83 h ILE 195 Ca 0.26 -1.00 -0.25 0.00 1.00 0.00 0.00 64.86 64.87 1u83 h ILE 195 Cb -0.07 1.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1u83 h ILE 195 CO -0.05 0.33 2.01 -1.20 0.00 0.00 0.00 178.15 179.24 1u83 n SER 196 N -4.21 3.40 -2.62 1.72 7.64 -0.54 -3.31 113.62 115.69 1u83 n SER 196 Ca 0.01 -2.20 -0.12 0.00 1.01 0.00 0.00 58.87 57.56 1u83 n SER 196 Cb 0.31 -0.90 0.03 0.00 -1.01 0.00 0.00 64.21 62.64 1u83 n SER 196 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1u83 n SER 197 N 4.33 2.32 0.00 6.43 3.41 -1.23 -4.93 113.62 123.95 1u83 n SER 197 Ca 0.30 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1u83 n SER 197 Cb 0.11 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1u83 n SER 197 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1u83 n ASP 198 N -0.26 -0.71 -4.71 4.04 8.00 -1.25 -5.03 116.55 116.62 1u83 n ASP 198 Ca 0.17 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.28 1u83 n ASP 198 Cb 0.79 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.72 1u83 n ASP 198 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1u83 s ILE 199 N -3.43 5.10 0.03 0.53 1.01 -1.21 -4.99 121.20 118.24 1u83 s ILE 199 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 60.65 61.58 1u83 s ILE 199 Cb 0.00 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 1u83 s ILE 199 CO 0.00 0.27 1.96 -0.62 0.00 0.00 0.00 174.94 176.54 1u83 s ASP 200 N 0.76 6.46 0.51 3.58 -1.08 -1.26 -4.71 116.67 120.93 1u83 s ASP 200 Ca 0.32 2.66 0.29 0.00 -0.52 0.00 0.00 52.55 55.30 1u83 s ASP 200 Cb -0.17 -2.53 1.32 0.00 -1.46 0.00 0.00 42.92 40.09 1u83 s ASP 200 CO 0.14 -1.05 1.99 -0.29 0.52 0.00 0.00 175.17 176.48 1u83 h ILE 201 N 5.62 0.37 0.00 4.11 6.09 -1.94 -2.28 117.51 129.49 1u83 h ILE 201 Ca -0.49 -0.69 0.00 0.00 -1.37 0.00 0.00 64.86 62.30 1u83 h ILE 201 Cb 1.24 1.51 0.00 0.00 0.47 0.00 0.00 36.82 40.03 1u83 h ILE 201 CO 0.94 0.12 0.00 0.59 -3.07 0.00 0.00 178.15 176.73 1u83 n ASN 202 N -3.37 0.03 -0.19 2.19 5.03 -1.26 -1.89 115.26 115.79 1u83 n ASN 202 Ca -0.01 0.51 0.13 0.00 0.87 0.00 0.00 54.58 56.08 1u83 n ASN 202 Cb 0.31 -0.51 0.32 0.00 -1.02 0.00 0.00 39.78 38.88 1u83 n ASN 202 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1u83 n ARG 203 N -1.53 0.64 -4.13 3.52 3.00 -0.86 -4.89 116.66 112.41 1u83 n ARG 203 Ca 0.04 -0.38 -0.27 0.00 -0.00 0.00 0.00 57.85 57.24 1u83 n ARG 203 Cb 0.22 -1.49 -0.07 0.00 0.00 0.00 0.00 32.46 31.12 1u83 n ARG 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1u83 s LEU 204 N -2.63 3.59 -0.06 6.15 1.02 -0.79 -1.24 118.68 124.71 1u83 s LEU 204 Ca 0.21 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 54.15 1u83 s LEU 204 Cb 0.19 -2.23 0.02 0.00 0.02 0.00 0.00 46.19 44.18 1u83 s LEU 204 CO 0.57 0.10 -0.10 -0.63 0.02 0.00 0.00 176.35 176.31 1u83 s ILE 205 N -1.66 0.98 -0.14 -0.59 1.01 -0.11 -4.32 121.20 116.37 1u83 s ILE 205 Ca 0.29 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1u83 s ILE 205 Cb -0.10 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1u83 s ILE 205 CO 0.21 0.33 -0.05 -0.36 0.00 0.00 0.00 174.94 175.07 1u83 s PHE 206 N 0.83 3.00 0.08 3.97 0.40 -0.04 -1.01 117.98 125.21 1u83 s PHE 206 Ca -0.12 -0.28 -0.31 0.00 -0.60 0.00 0.00 56.93 55.62 1u83 s PHE 206 Cb -0.15 -1.91 -0.07 0.00 0.51 0.00 0.00 43.02 41.39 1u83 s PHE 206 CO 0.02 0.00 1.36 -1.21 0.70 0.00 0.00 175.22 176.09 1u83 s GLU 207 N 0.19 4.33 -0.41 0.44 2.02 -0.73 -1.04 118.70 123.50 1u83 s GLU 207 Ca -0.03 2.00 0.07 0.00 0.02 0.00 0.00 54.97 57.04 1u83 s GLU 207 Cb -0.14 -3.33 0.23 0.00 0.10 0.00 0.00 34.13 31.00 1u83 s GLU 207 CO 0.03 -0.43 0.53 0.00 0.02 0.00 0.00 175.26 175.41 1u83 n ALA 208 N 4.22 1.97 0.48 5.21 0.00 -0.04 -4.86 120.51 127.49 1u83 n ALA 208 Ca 0.11 -3.06 0.04 0.00 0.00 0.00 0.00 53.44 50.53 1u83 n ALA 208 Cb 0.43 -0.88 0.25 0.00 0.00 0.00 0.00 19.45 19.25 1u83 n ALA 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1u83 n PRO 209 N 1.73 0.19 -4.03 0.00 -0.04 -1.24 -4.52 135.00 127.10 1u83 n PRO 209 Ca 0.21 0.12 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 1u83 n PRO 209 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1u83 n PRO 209 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1u83 s ASN 210 N -2.35 0.08 0.22 3.54 2.20 -1.26 -4.65 114.94 112.72 1u83 s ASN 210 Ca 0.11 -1.00 -0.08 0.00 -0.94 0.00 0.00 52.86 50.95 1u83 s ASN 210 Cb 0.06 0.43 0.30 0.00 -2.00 0.00 0.00 41.25 40.04 1u83 s ASN 210 CO 0.12 -0.89 1.78 0.50 -2.94 0.00 0.00 177.10 175.67 1u83 h LYS 211 N 2.56 0.58 -0.25 3.55 3.64 -1.99 -1.37 116.57 123.30 1u83 h LYS 211 Ca -0.32 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.07 1u83 h LYS 211 Cb 1.23 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1u83 h LYS 211 CO 0.49 0.38 0.01 1.15 -2.27 0.00 0.00 179.45 179.21 1u83 h THR 212 N 0.60 0.83 -0.34 1.00 2.02 -1.97 0.36 112.91 115.41 1u83 h THR 212 Ca 0.33 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.42 1u83 h THR 212 Cb 0.32 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1u83 h THR 212 CO -0.25 0.02 -0.01 -0.07 0.37 0.00 0.00 175.52 175.58 1u83 h LEU 213 N 0.08 0.59 -0.03 2.58 3.38 -1.84 -2.17 115.31 117.91 1u83 h LEU 213 Ca 0.12 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1u83 h LEU 213 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1u83 h LEU 213 CO -0.20 0.76 -0.08 1.56 0.09 0.00 0.00 178.44 180.58 1u83 h GLN 214 N 0.40 -0.13 -0.56 1.13 4.20 -0.93 -1.45 115.11 117.77 1u83 h GLN 214 Ca 0.09 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1u83 h GLN 214 Cb 0.47 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1u83 h GLN 214 CO 0.02 -0.09 0.08 -0.56 -0.67 0.00 0.00 178.83 177.62 1u83 h GLN 215 N -0.13 0.90 -0.19 1.46 -0.00 -0.95 -1.54 115.11 114.66 1u83 h GLN 215 Ca 0.04 -0.22 -0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1u83 h GLN 215 Cb 0.19 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.54 1u83 h GLN 215 CO -0.11 0.84 0.11 0.78 -0.00 0.00 0.00 178.83 180.46 1u83 h GLY 216 N 1.00 0.28 1.11 0.06 0.00 -1.06 0.43 103.07 104.89 1u83 h GLY 216 Ca 0.18 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1u83 h GLY 216 CO 0.01 0.12 0.14 0.74 0.00 0.00 0.00 176.54 177.55 1u83 h PHE 217 N 0.22 1.16 -0.64 5.60 0.05 -1.11 -1.15 116.94 121.07 1u83 h PHE 217 Ca 0.07 -0.14 -0.06 0.00 3.82 0.00 0.00 57.97 61.65 1u83 h PHE 217 Cb 0.04 -0.32 -0.03 0.00 2.00 0.00 0.00 35.95 37.64 1u83 h PHE 217 CO -0.05 0.95 0.14 0.82 -0.18 0.00 0.00 178.31 180.00 1u83 h ILE 218 N 1.04 1.25 -0.51 -0.55 2.04 -1.06 0.12 117.51 119.84 1u83 h ILE 218 Ca 0.21 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1u83 h ILE 218 Cb 0.39 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1u83 h ILE 218 CO 0.01 0.35 -0.05 1.56 0.00 0.00 0.00 178.15 180.02 1u83 h GLN 219 N 0.96 0.93 0.12 2.37 4.20 -0.47 0.26 115.11 123.47 1u83 h GLN 219 Ca 0.20 -0.32 -0.26 0.00 0.06 0.00 0.00 58.65 58.33 1u83 h GLN 219 Cb 0.35 -0.07 0.03 0.00 0.30 0.00 0.00 27.48 28.09 1u83 h GLN 219 CO 0.00 0.97 -1.09 0.87 -0.67 0.00 0.00 178.83 178.91 1u83 h LYS 220 N 0.79 0.53 0.00 1.46 1.57 -1.04 -3.40 116.57 116.49 1u83 h LYS 220 Ca 0.14 -0.73 -0.38 0.00 -1.87 0.00 0.00 60.65 57.80 1u83 h LYS 220 Cb 0.59 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 33.08 1u83 h LYS 220 CO 0.04 1.32 -2.43 -0.89 -0.57 0.00 0.00 179.45 176.91 1u83 n ILE 221 N -3.91 1.47 0.00 1.86 5.41 0.01 -5.10 119.36 119.09 1u83 n ILE 221 Ca -0.14 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 62.96 1u83 n ILE 221 Cb 0.92 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 1u83 n ILE 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u83 n GLY 222 N 2.10 1.99 0.34 7.39 0.00 0.90 -4.82 105.19 113.09 1u83 n GLY 222 Ca -0.42 -2.09 0.21 0.00 0.00 0.00 0.00 46.02 43.72 1u83 n GLY 222 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u83 h PRO 223 N 0.00 0.00 -0.49 1.61 0.13 -1.82 -2.72 132.00 128.70 1u83 h PRO 223 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 1u83 h PRO 223 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 1u83 h PRO 223 CO 0.00 0.00 -0.03 0.09 -0.23 0.00 0.00 178.00 177.83 1u83 n ASN 224 N -3.01 3.19 -4.78 1.44 4.13 -1.26 -4.87 115.26 110.10 1u83 n ASN 224 Ca -0.03 -3.78 -0.34 0.00 1.68 0.00 0.00 54.58 52.11 1u83 n ASN 224 Cb 0.16 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.75 1u83 n ASN 224 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1u83 s VAL 225 N -3.52 3.41 -0.17 2.41 0.11 -1.03 -0.62 120.40 120.99 1u83 s VAL 225 Ca 0.48 0.82 -0.17 0.00 -2.93 0.00 0.00 61.98 60.17 1u83 s VAL 225 Cb 0.42 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 1u83 s VAL 225 CO 0.01 -0.25 0.46 0.20 -3.33 0.00 0.00 175.10 172.19 1u83 s ASN 226 N -2.07 6.56 0.06 3.54 0.02 -1.26 -3.96 114.94 117.82 1u83 s ASN 226 Ca 0.69 0.66 0.06 0.00 -1.02 0.00 0.00 52.86 53.26 1u83 s ASN 226 Cb -0.20 -2.27 -0.03 0.00 0.02 0.00 0.00 41.25 38.77 1u83 s ASN 226 CO 0.28 -0.08 -0.18 -0.76 0.02 0.00 0.00 177.10 176.39 1u83 s LEU 227 N 1.18 2.21 0.34 0.60 1.43 -0.32 -0.86 118.68 123.26 1u83 s LEU 227 Ca 0.23 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1u83 s LEU 227 Cb -0.15 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 1u83 s LEU 227 CO 0.09 0.06 0.08 0.00 0.23 0.00 0.00 176.35 176.81 1u83 s ALA 228 N -0.96 2.44 -1.58 4.21 0.00 -0.21 -0.18 121.76 125.48 1u83 s ALA 228 Ca 0.04 -1.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.12 1u83 s ALA 228 Cb -0.09 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1u83 s ALA 228 CO 0.02 -0.33 0.40 0.09 0.00 0.00 0.00 175.76 175.95 1u83 n ASN 229 N -0.80 -5.80 -4.69 0.00 4.13 -0.78 -0.86 115.26 106.46 1u83 n ASN 229 Ca -0.03 -0.19 -0.42 0.00 1.68 0.00 0.00 54.58 55.61 1u83 n ASN 229 Cb 0.66 -4.74 -0.03 0.00 -1.54 0.00 0.00 39.78 34.13 1u83 n ASN 229 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1u83 s ILE 230 N -3.10 4.42 0.57 2.41 -1.09 -0.59 -3.72 121.20 120.11 1u83 s ILE 230 Ca 0.21 1.73 -0.19 0.00 -2.23 0.00 0.00 60.65 60.17 1u83 s ILE 230 Cb -0.10 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1u83 s ILE 230 CO 0.26 -0.01 1.14 -2.16 -1.23 0.00 0.00 174.94 172.94 1u83 s PRO 231 N 2.24 3.18 0.37 2.79 0.04 -1.26 -1.33 135.00 141.03 1u83 s PRO 231 Ca 0.53 1.63 0.10 0.00 0.04 0.00 0.00 61.00 63.30 1u83 s PRO 231 Cb -0.22 -1.98 0.86 0.00 0.04 0.00 0.00 34.50 33.20 1u83 s PRO 231 CO 0.20 -0.99 1.88 0.74 0.04 0.00 0.00 177.00 178.86 1u83 h PHE 232 N 0.95 0.76 0.00 0.56 -1.00 -1.95 0.06 116.94 116.32 1u83 h PHE 232 Ca -0.50 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1u83 h PHE 232 Cb 1.27 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.59 1u83 h PHE 232 CO 0.51 0.28 0.00 -2.39 -1.61 0.00 0.00 178.31 175.09 1u83 n HIS 233 N -4.55 0.00 -0.02 -0.55 1.44 -1.26 -2.44 115.22 107.84 1u83 n HIS 233 Ca 0.17 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.98 1u83 n HIS 233 Cb 0.49 -0.37 0.23 0.00 0.12 0.00 0.00 29.99 30.45 1u83 n HIS 233 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1u83 n ASP 234 N -1.37 3.43 -0.15 4.39 8.00 0.01 -4.63 116.55 126.23 1u83 n ASP 234 Ca 0.06 -1.96 -0.07 0.00 0.71 0.00 0.00 54.79 53.53 1u83 n ASP 234 Cb 0.14 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 1u83 n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u83 h ALA 235 N 3.77 -0.14 0.12 2.24 0.00 -1.55 0.34 119.26 124.04 1u83 h ALA 235 Ca 0.00 0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1u83 h ALA 235 Cb 0.90 0.74 0.02 0.00 0.00 0.00 0.00 17.79 19.45 1u83 h ALA 235 CO 0.00 -0.71 -0.85 0.82 0.00 0.00 0.00 179.25 178.50 1u83 h ILE 236 N -0.22 1.46 -0.94 0.00 1.08 -1.86 -3.31 117.51 113.72 1u83 h ILE 236 Ca 0.19 -2.45 0.09 0.00 -0.39 0.00 0.00 64.86 62.30 1u83 h ILE 236 Cb 0.54 3.03 -0.07 0.00 -3.07 0.00 0.00 36.82 37.25 1u83 h ILE 236 CO -0.59 0.70 0.59 0.00 -0.69 0.00 0.00 178.15 178.16 1u83 h ALA 237 N 0.15 1.35 -0.56 1.87 0.00 -1.74 -1.70 119.26 118.64 1u83 h ALA 237 Ca -0.14 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1u83 h ALA 237 Cb 1.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1u83 h ALA 237 CO 0.16 0.27 0.18 1.25 0.00 0.00 0.00 179.25 181.12 1u83 h LEU 238 N 1.00 0.80 -1.45 0.00 5.85 -0.46 -2.34 115.31 118.71 1u83 h LEU 238 Ca 0.44 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1u83 h LEU 238 Cb 0.31 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1u83 h LEU 238 CO -0.22 0.79 0.21 -0.08 -0.34 0.00 0.00 178.44 178.80 1u83 h GLU 239 N 0.77 0.58 -0.10 1.25 4.57 -1.42 -0.92 114.58 119.31 1u83 h GLU 239 Ca 0.18 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 1u83 h GLU 239 Cb 0.27 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1u83 h GLU 239 CO -0.01 0.45 -0.39 1.79 -1.18 0.00 0.00 179.01 179.67 1u83 h THR 240 N 0.59 1.30 -0.30 0.32 1.35 -0.89 -1.72 112.91 113.56 1u83 h THR 240 Ca 0.15 -1.45 -0.07 0.00 -0.55 0.00 0.00 66.41 64.49 1u83 h THR 240 Cb 0.05 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1u83 h THR 240 CO -0.02 0.43 -0.08 -0.07 -0.25 0.00 0.00 175.52 175.53 1u83 h LEU 241 N 0.19 0.59 -1.43 3.87 3.38 -0.71 0.40 115.31 121.60 1u83 h LEU 241 Ca 0.02 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1u83 h LEU 241 Cb 0.77 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1u83 h LEU 241 CO 0.06 0.83 0.12 0.03 0.09 0.00 0.00 178.44 179.57 1u83 h ARG 242 N 0.35 0.50 -0.10 1.13 3.08 -0.96 -2.50 114.38 115.88 1u83 h ARG 242 Ca 0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1u83 h ARG 242 Cb 0.58 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1u83 h ARG 242 CO 0.03 0.44 0.00 1.28 -1.07 0.00 0.00 179.97 180.65 1u83 n LEU 243 N -4.38 1.79 -1.31 3.04 4.77 -0.67 -4.63 117.00 115.61 1u83 n LEU 243 Ca 0.02 -0.68 -0.12 0.00 -0.03 0.00 0.00 56.01 55.20 1u83 n LEU 243 Cb 0.15 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1u83 n LEU 243 CO 0.37 0.34 -0.15 0.61 -1.33 0.00 0.00 177.39 177.23 1u83 n GLY 244 N 1.19 0.20 1.14 -0.72 0.00 -0.72 -4.47 105.19 101.82 1u83 n GLY 244 Ca 0.17 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.90 1u83 n GLY 244 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u83 n LEU 245 N -1.70 3.32 -4.08 0.99 4.77 0.13 -4.18 117.00 116.26 1u83 n LEU 245 Ca -0.14 -1.67 -0.16 0.00 -0.03 0.00 0.00 56.01 54.01 1u83 n LEU 245 Cb 0.56 -0.42 -0.13 0.00 -2.33 0.00 0.00 43.42 41.11 1u83 n LEU 245 CO 0.18 0.75 -0.43 -0.60 -1.33 0.00 0.00 177.39 175.96 1u83 s ARG 246 N -1.37 0.67 0.28 3.23 3.52 -1.21 -4.92 118.95 119.15 1u83 s ARG 246 Ca 0.39 -0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 55.29 1u83 s ARG 246 Cb 0.22 -0.58 0.59 0.00 -1.56 0.00 0.00 34.95 33.61 1u83 s ARG 246 CO 0.25 0.13 1.58 1.03 -0.81 0.00 0.00 175.30 177.49 1u83 h SER 247 N 4.90 -0.58 -0.50 -2.12 0.87 -1.95 -1.38 113.55 112.80 1u83 h SER 247 Ca -0.36 0.26 0.15 0.00 -1.23 0.00 0.00 61.79 60.61 1u83 h SER 247 Cb 1.19 0.49 -0.02 0.00 -0.44 0.00 0.00 62.40 63.62 1u83 h SER 247 CO 0.43 -0.30 0.43 0.44 -0.53 0.00 0.00 176.83 177.30 1u83 h ASP 248 N 0.03 0.00 0.00 6.23 3.32 -1.97 -2.34 116.42 121.68 1u83 h ASP 248 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1u83 h ASP 248 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1u83 h ASP 248 CO -0.89 0.00 -0.18 0.35 -1.72 0.00 0.00 179.24 176.80 1u83 n THR 249 N -4.03 0.79 -0.35 0.35 -2.24 -0.80 -4.89 114.28 103.12 1u83 n THR 249 Ca 0.09 -0.92 0.08 0.00 -2.27 0.00 0.00 64.05 61.03 1u83 n THR 249 Cb 0.64 0.32 0.18 0.00 -2.10 0.00 0.00 70.33 69.37 1u83 n THR 249 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1u83 n PHE 250 N -0.56 0.42 1.41 4.78 7.35 -0.59 -4.24 117.46 126.03 1u83 n PHE 250 Ca 0.05 1.19 0.14 0.00 -0.76 0.00 0.00 57.45 58.07 1u83 n PHE 250 Cb 0.59 -1.11 0.45 0.00 0.35 0.00 0.00 39.48 39.75 1u83 n PHE 250 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19