#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qso n ILE 9 N 0.00 -3.56 -3.66 1.53 5.41 -1.26 -4.94 119.36 112.87 1qso n ILE 9 Ca 0.00 1.43 -0.11 0.00 1.00 0.00 0.00 62.75 65.07 1qso n ILE 9 Cb 0.00 -2.04 -0.11 0.00 -0.71 0.00 0.00 39.64 36.78 1qso n ILE 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1qso s THR 10 N -2.55 -0.51 -0.10 1.39 -4.23 -0.91 -4.88 115.64 103.85 1qso s THR 10 Ca 0.00 0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.58 1qso s THR 10 Cb 0.00 -0.56 -0.05 0.00 1.34 0.00 0.00 72.50 73.23 1qso s THR 10 CO 0.00 0.09 0.34 -0.69 -0.54 0.00 0.00 174.62 173.82 1qso s VAL 11 N 2.46 5.23 0.09 2.29 1.01 -1.26 -2.05 120.40 128.16 1qso s VAL 11 Ca -0.01 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 1qso s VAL 11 Cb -0.12 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1qso s VAL 11 CO -0.11 0.47 0.25 0.00 0.00 0.00 0.00 175.10 175.71 1qso s ARG 12 N -0.17 0.89 0.27 2.72 1.70 -0.90 -4.98 118.95 118.47 1qso s ARG 12 Ca 0.20 -0.83 -0.29 0.00 -0.47 0.00 0.00 55.73 54.33 1qso s ARG 12 Cb -0.14 0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 34.51 1qso s ARG 12 CO 0.08 -0.30 1.28 -0.06 -1.08 0.00 0.00 175.30 175.22 1qso s PHE 13 N -3.64 3.20 0.42 5.89 0.40 -1.26 -1.05 117.98 121.94 1qso s PHE 13 Ca 0.03 1.36 -0.25 0.00 -0.60 0.00 0.00 56.93 57.47 1qso s PHE 13 Cb 0.03 -3.60 -0.10 0.00 0.51 0.00 0.00 43.02 39.86 1qso s PHE 13 CO -0.10 -1.72 1.21 1.33 0.70 0.00 0.00 175.22 176.64 1qso n VAL 14 N 1.63 2.56 -3.78 -0.44 0.24 -0.64 -4.85 118.33 113.05 1qso n VAL 14 Ca 0.03 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 61.61 1qso n VAL 14 Cb 0.42 -1.47 -0.04 0.00 -1.47 0.00 0.00 33.84 31.28 1qso n VAL 14 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1qso s THR 15 N -1.21 2.81 0.59 3.34 -4.23 -1.26 -4.95 115.64 110.72 1qso s THR 15 Ca 0.62 -1.46 0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1qso s THR 15 Cb -0.52 -3.03 0.36 0.00 1.34 0.00 0.00 72.50 70.65 1qso s THR 15 CO 0.58 -0.06 2.16 -0.33 -0.54 0.00 0.00 174.62 176.42 1qso h GLU 16 N 1.21 0.00 -0.32 3.99 5.08 -2.00 -0.30 114.58 122.24 1qso h GLU 16 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1qso h GLU 16 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1qso h GLU 16 CO 0.60 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.70 1qso n ASN 17 N -3.83 1.69 -0.00 1.42 3.02 -1.26 -3.77 115.26 112.53 1qso n ASN 17 Ca -0.00 -2.00 0.05 0.00 -0.03 0.00 0.00 54.58 52.60 1qso n ASN 17 Cb 0.24 -0.21 -0.07 0.00 -0.61 0.00 0.00 39.78 39.12 1qso n ASN 17 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qso n ASP 18 N 0.42 0.96 -0.30 6.41 8.00 -0.12 -4.71 116.55 127.20 1qso n ASP 18 Ca 0.11 -0.58 0.12 0.00 0.71 0.00 0.00 54.79 55.14 1qso n ASP 18 Cb 0.27 1.12 0.29 0.00 -0.02 0.00 0.00 41.12 42.78 1qso n ASP 18 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1qso h LYS 19 N 0.00 0.37 -0.33 -1.24 3.64 -1.65 -0.16 116.57 117.21 1qso h LYS 19 Ca 0.00 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1qso h LYS 19 Cb 0.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1qso h LYS 19 CO 0.00 0.25 -0.18 1.49 -2.27 0.00 0.00 179.45 178.74 1qso h GLU 20 N 0.39 0.70 -0.25 1.90 4.81 -1.87 0.05 114.58 120.30 1qso h GLU 20 Ca 0.54 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1qso h GLU 20 Cb 1.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1qso h GLU 20 CO -0.53 0.91 -0.37 0.78 -0.73 0.00 0.00 179.01 179.08 1qso h GLY 21 N 0.46 0.62 1.48 1.92 0.00 -1.69 -2.40 103.07 103.46 1qso h GLY 21 Ca 0.07 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1qso h GLY 21 CO 0.05 0.54 -0.37 -0.25 0.00 0.00 0.00 176.54 176.51 1qso h TRP 22 N 0.48 0.68 0.00 5.60 7.01 -0.98 -2.62 115.95 126.12 1qso h TRP 22 Ca 0.05 -0.19 -0.04 0.00 2.11 0.00 0.00 58.89 60.82 1qso h TRP 22 Cb 0.86 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 1qso h TRP 22 CO 0.03 0.87 -0.20 1.96 -2.79 0.00 0.00 178.44 178.31 1qso h GLN 23 N 0.48 0.00 -0.52 2.65 4.20 -0.69 -0.46 115.11 120.77 1qso h GLN 23 Ca 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1qso h GLN 23 Cb 0.87 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1qso h GLN 23 CO 0.07 0.20 0.13 -0.09 -0.67 0.00 0.00 178.83 178.47 1qso h ARG 24 N 0.00 0.83 -0.07 1.46 1.12 -1.05 -2.64 114.38 114.04 1qso h ARG 24 Ca -0.00 -0.20 -0.05 0.00 -1.11 0.00 0.00 59.98 58.61 1qso h ARG 24 Cb 0.52 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 1qso h ARG 24 CO 0.03 0.79 -0.17 -0.07 -3.11 0.00 0.00 179.97 177.44 1qso h LEU 25 N 0.72 0.27 -1.28 3.80 3.38 -1.37 -2.77 115.31 118.06 1qso h LEU 25 Ca 0.16 -0.58 0.32 0.00 0.09 0.00 0.00 57.88 57.87 1qso h LEU 25 Cb 0.34 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 1qso h LEU 25 CO 0.00 0.80 0.69 -0.25 0.09 0.00 0.00 178.44 179.78 1qso h TRP 26 N -0.25 0.70 0.05 1.13 2.91 -1.01 0.70 115.95 120.17 1qso h TRP 26 Ca -0.00 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.95 1qso h TRP 26 Cb 0.77 -0.19 0.01 0.00 -0.51 0.00 0.00 29.16 29.23 1qso h TRP 26 CO 0.12 -0.05 -0.42 0.87 -1.03 0.00 0.00 178.44 177.93 1qso h LYS 27 N 0.32 0.20 -0.81 2.65 1.57 -1.45 -2.25 116.57 116.79 1qso h LYS 27 Ca 0.68 -0.28 0.07 0.00 -1.87 0.00 0.00 60.65 59.26 1qso h LYS 27 Cb 1.79 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 34.12 1qso h LYS 27 CO -0.40 1.07 0.48 0.77 -0.57 0.00 0.00 179.45 180.80 1qso h SER 28 N -0.53 0.73 -0.62 0.86 0.02 -0.65 -0.61 113.55 112.76 1qso h SER 28 Ca -0.07 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1qso h SER 28 Cb 1.25 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 1qso h SER 28 CO 0.08 0.45 0.40 0.22 -1.14 0.00 0.00 176.83 176.84 1qso h TYR 29 N 0.86 0.79 -0.43 3.45 3.20 0.24 -1.40 116.97 123.68 1qso h TYR 29 Ca 0.37 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 1qso h TYR 29 Cb 0.24 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1qso h TYR 29 CO -0.05 0.51 0.22 1.96 -1.64 0.00 0.00 178.16 179.16 1qso h GLN 30 N 0.84 0.61 0.27 1.82 4.20 -0.54 -1.96 115.11 120.35 1qso h GLN 30 Ca 0.23 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1qso h GLN 30 Cb -0.08 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1qso h GLN 30 CO -0.05 0.52 -0.24 -0.44 -0.67 0.00 0.00 178.83 177.95 1qso h ASP 31 N 0.55 -0.64 -0.66 1.46 3.32 -0.83 -0.10 116.42 119.52 1qso h ASP 31 Ca 0.15 0.06 0.14 0.00 0.02 0.00 0.00 57.03 57.40 1qso h ASP 31 Cb 0.10 0.22 -0.11 0.00 0.22 0.00 0.00 39.33 39.75 1qso h ASP 31 CO -0.02 -0.36 -0.01 0.15 -1.72 0.00 0.00 179.24 177.28 1qso h PHE 32 N -0.53 -0.06 -0.22 4.55 3.57 -1.13 0.21 116.94 123.33 1qso h PHE 32 Ca -0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1qso h PHE 32 Cb 0.49 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1qso h PHE 32 CO -0.15 -0.19 0.00 0.66 -2.23 0.00 0.00 178.31 176.39 1qso n TYR 33 N -5.31 0.46 -3.93 0.41 4.02 -0.75 -4.93 117.16 107.14 1qso n TYR 33 Ca 0.10 -0.19 -0.25 0.00 -0.01 0.00 0.00 57.90 57.56 1qso n TYR 33 Cb 0.39 -0.09 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 1qso n TYR 33 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1qso n GLU 34 N 0.20 -3.46 -4.08 -0.72 4.71 0.74 -4.99 120.64 113.04 1qso n GLU 34 Ca 0.08 0.43 -0.07 0.00 -0.01 0.00 0.00 57.16 57.59 1qso n GLU 34 Cb 0.34 -4.60 -0.10 0.00 -1.01 0.00 0.00 31.44 26.07 1qso n GLU 34 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1qso s VAL 35 N -3.93 0.22 -0.25 2.62 -7.23 -0.16 -5.03 120.40 106.64 1qso s VAL 35 Ca 0.01 -1.78 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1qso s VAL 35 Cb -0.01 -1.51 0.09 0.00 0.56 0.00 0.00 36.38 35.51 1qso s VAL 35 CO 0.88 -0.99 0.10 -0.55 -0.31 0.00 0.00 175.10 174.24 1qso s SER 36 N -2.91 3.27 0.60 4.85 0.15 -1.26 -4.23 113.70 114.16 1qso s SER 36 Ca 0.07 -1.13 -0.15 0.00 0.70 0.00 0.00 55.95 55.44 1qso s SER 36 Cb 0.08 -0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 1qso s SER 36 CO -0.10 -0.40 1.04 -0.36 1.20 0.00 0.00 173.24 174.62 1qso s PHE 37 N 2.00 3.13 0.34 3.44 2.99 -1.26 -4.98 117.98 123.64 1qso s PHE 37 Ca 0.06 1.48 -0.27 0.00 0.00 0.00 0.00 56.93 58.20 1qso s PHE 37 Cb -0.16 -2.93 -0.13 0.00 0.00 0.00 0.00 43.02 39.80 1qso s PHE 37 CO -0.25 -0.97 1.12 -0.35 -0.00 0.00 0.00 175.22 174.77 1qso n PRO 38 N -2.15 1.66 -0.25 0.24 -0.04 -1.26 -4.85 135.00 128.34 1qso n PRO 38 Ca 0.08 0.58 0.09 0.00 -0.04 0.00 0.00 63.50 64.21 1qso n PRO 38 Cb 0.53 -2.07 0.18 0.00 -0.04 0.00 0.00 33.50 32.10 1qso n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qso n ASP 39 N 0.90 -0.14 -2.76 3.54 8.00 -1.26 -2.15 116.55 122.68 1qso n ASP 39 Ca 0.08 1.23 -0.34 0.00 0.71 0.00 0.00 54.79 56.47 1qso n ASP 39 Cb 0.35 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1qso n ASP 39 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qso n ASP 40 N -5.05 6.17 -0.10 -2.24 8.00 -1.26 -4.52 116.55 117.55 1qso n ASP 40 Ca 0.15 -3.78 -0.10 0.00 0.71 0.00 0.00 54.79 51.78 1qso n ASP 40 Cb 0.49 -0.79 -0.16 0.00 -0.02 0.00 0.00 41.12 40.65 1qso n ASP 40 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1qso n LEU 41 N -0.48 0.10 -0.10 0.64 7.94 -0.91 -3.99 117.00 120.19 1qso n LEU 41 Ca 0.46 -0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.30 1qso n LEU 41 Cb 0.43 0.45 0.01 0.00 0.53 0.00 0.00 43.42 44.84 1qso n LEU 41 CO 0.42 0.51 0.84 0.44 -1.11 0.00 0.00 177.39 178.49 1qso h ASP 42 N 0.00 -0.20 -0.72 1.96 5.19 -1.81 -0.34 116.42 120.50 1qso h ASP 42 Ca -0.55 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1qso h ASP 42 Cb 2.23 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 41.87 1qso h ASP 42 CO 0.03 -0.06 0.43 0.44 -3.12 0.00 0.00 179.24 176.96 1qso h ASP 43 N 0.06 0.87 0.67 6.45 3.45 -1.90 -1.06 116.42 124.97 1qso h ASP 43 Ca 0.17 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 1qso h ASP 43 Cb 0.24 -0.22 0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1qso h ASP 43 CO -0.31 0.69 -0.32 0.15 -1.57 0.00 0.00 179.24 177.88 1qso h PHE 44 N 0.99 -0.84 0.03 4.55 -0.00 -1.40 0.12 116.94 120.40 1qso h PHE 44 Ca 0.26 -0.02 0.03 0.00 -0.00 0.00 0.00 57.97 58.24 1qso h PHE 44 Cb -0.02 0.28 -0.04 0.00 -0.00 0.00 0.00 35.95 36.16 1qso h PHE 44 CO -0.01 -0.50 -0.29 -0.91 -0.00 0.00 0.00 178.31 176.60 1qso h ASN 45 N -0.96 -0.85 0.00 0.41 2.35 -1.04 0.13 115.58 115.62 1qso h ASN 45 Ca -0.09 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1qso h ASN 45 Cb 0.71 0.34 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1qso h ASN 45 CO 0.15 -0.36 0.12 0.15 -1.65 0.00 0.00 177.43 175.84 1qso h PHE 46 N -0.46 0.00 0.46 1.19 3.57 -1.12 0.33 116.94 120.91 1qso h PHE 46 Ca 0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1qso h PHE 46 Cb 0.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1qso h PHE 46 CO -0.30 0.00 -0.22 0.78 -2.23 0.00 0.00 178.31 176.34 1qso h GLY 47 N 0.00 -0.65 1.76 2.40 0.00 0.13 -2.42 103.07 104.30 1qso h GLY 47 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 1qso h GLY 47 CO 0.00 -0.24 -0.23 0.07 0.00 0.00 0.00 176.54 176.14 1qso h ARG 48 N -1.05 0.28 -0.83 4.80 -0.00 -0.58 -0.90 114.38 116.09 1qso h ARG 48 Ca -0.06 -0.09 0.09 0.00 -0.00 0.00 0.00 59.98 59.92 1qso h ARG 48 Cb 0.56 -0.02 -0.07 0.00 -0.00 0.00 0.00 29.97 30.44 1qso h ARG 48 CO 0.10 0.51 0.48 0.74 -0.00 0.00 0.00 179.97 181.80 1qso h PHE 49 N 0.26 0.87 0.00 4.08 0.04 -0.41 -2.69 116.94 119.09 1qso h PHE 49 Ca 0.04 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.70 1qso h PHE 49 Cb 0.56 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1qso h PHE 49 CO 0.01 0.36 -1.32 -0.07 -0.60 0.00 0.00 178.31 176.70 1qso h LEU 50 N 0.81 0.00 -9.28 1.54 3.38 -1.06 -3.43 115.31 107.28 1qso h LEU 50 Ca 0.40 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.82 1qso h LEU 50 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1qso h LEU 50 CO -0.24 0.49 0.99 -0.62 0.09 0.00 0.00 178.44 179.15 1qso s ASP 51 N -5.74 6.75 -0.00 -0.43 3.68 -0.38 -4.86 116.67 115.69 1qso s ASP 51 Ca -0.02 2.13 0.00 0.00 2.13 0.00 0.00 52.55 56.78 1qso s ASP 51 Cb 0.09 -2.54 0.01 0.00 -1.45 0.00 0.00 42.92 39.03 1qso s ASP 51 CO 0.81 -0.85 0.65 -0.81 0.13 0.00 0.00 175.17 175.10 1qso n PRO 52 N 6.54 1.04 0.00 4.34 -0.04 -1.26 -3.40 135.00 142.22 1qso n PRO 52 Ca 0.16 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1qso n PRO 52 Cb 0.43 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1qso n PRO 52 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qso n ASN 53 N 0.14 0.57 -0.06 3.54 3.02 -1.26 -4.81 115.26 116.39 1qso n ASN 53 Ca 0.00 -1.21 -0.19 0.00 -0.03 0.00 0.00 54.58 53.15 1qso n ASN 53 Cb 0.33 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.37 1qso n ASN 53 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1qso n ILE 54 N -0.11 1.64 -2.15 2.41 2.08 -1.22 -5.03 119.36 116.98 1qso n ILE 54 Ca 0.00 -0.63 -0.02 0.00 0.56 0.00 0.00 62.75 62.66 1qso n ILE 54 Cb 0.31 -1.54 0.01 0.00 -0.75 0.00 0.00 39.64 37.68 1qso n ILE 54 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1qso n LYS 55 N -3.35 -0.77 -3.52 0.38 5.02 -1.26 -4.95 118.16 109.71 1qso n LYS 55 Ca -0.38 0.10 -0.23 0.00 -2.02 0.00 0.00 58.31 55.78 1qso n LYS 55 Cb 1.02 -2.86 -0.14 0.00 -0.02 0.00 0.00 35.03 33.04 1qso n LYS 55 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1qso s MET 56 N -4.11 0.18 0.33 1.97 1.75 -1.26 -2.31 119.30 115.84 1qso s MET 56 Ca 0.00 -0.12 0.08 0.00 -1.25 0.00 0.00 55.69 54.40 1qso s MET 56 Cb -0.00 -1.28 -0.03 0.00 2.84 0.00 0.00 34.83 36.36 1qso s MET 56 CO 0.09 -0.81 0.26 -1.58 -0.65 0.00 0.00 175.02 172.32 1qso s TRP 57 N 2.22 2.87 -0.12 4.11 0.51 -0.23 -3.46 118.94 124.85 1qso s TRP 57 Ca 0.06 -0.31 -0.08 0.00 -2.12 0.00 0.00 56.10 53.66 1qso s TRP 57 Cb -0.16 -1.74 0.04 0.00 -0.81 0.00 0.00 33.47 30.81 1qso s TRP 57 CO -0.21 0.23 0.29 0.00 -0.51 0.00 0.00 176.95 176.76 1qso s ALA 58 N -2.32 -0.71 0.11 0.98 0.00 -1.26 -1.39 121.76 117.17 1qso s ALA 58 Ca 0.40 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.48 1qso s ALA 58 Cb -0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1qso s ALA 58 CO 0.26 -0.19 -0.17 0.00 0.00 0.00 0.00 175.76 175.66 1qso s ALA 59 N 0.94 1.59 0.07 0.00 0.00 -0.69 -1.62 121.76 122.04 1qso s ALA 59 Ca -0.06 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.72 1qso s ALA 59 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1qso s ALA 59 CO -0.07 0.21 -0.19 0.14 0.00 0.00 0.00 175.76 175.85 1qso s VAL 60 N -1.67 1.51 -0.30 0.00 -7.23 -0.22 -1.56 120.40 110.93 1qso s VAL 60 Ca 0.07 -1.32 -0.10 0.00 -1.81 0.00 0.00 61.98 58.82 1qso s VAL 60 Cb -0.08 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1qso s VAL 60 CO 0.04 -0.00 0.16 0.00 -0.31 0.00 0.00 175.10 174.98 1qso s ALA 61 N -1.03 3.31 0.09 1.32 0.00 -0.30 -2.11 121.76 123.05 1qso s ALA 61 Ca 0.05 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1qso s ALA 61 Cb -0.09 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1qso s ALA 61 CO 0.03 -0.83 -0.03 0.14 0.00 0.00 0.00 175.76 175.07 1qso s VAL 62 N 1.64 3.82 0.31 0.00 -7.23 -0.87 0.13 120.40 118.20 1qso s VAL 62 Ca 0.05 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.88 1qso s VAL 62 Cb -0.17 -2.80 -0.10 0.00 0.56 0.00 0.00 36.38 33.87 1qso s VAL 62 CO 0.07 0.14 1.26 -1.61 -0.31 0.00 0.00 175.10 174.65 1qso s GLU 63 N -2.22 4.42 0.04 4.82 2.02 0.06 -2.14 118.70 125.71 1qso s GLU 63 Ca 0.24 2.11 -0.26 0.00 0.02 0.00 0.00 54.97 57.08 1qso s GLU 63 Cb -0.11 -3.11 -0.17 0.00 0.10 0.00 0.00 34.13 30.84 1qso s GLU 63 CO 0.16 -0.11 1.49 0.77 0.02 0.00 0.00 175.26 177.60 1qso h SER 64 N 3.66 -0.26 0.01 -0.19 0.02 -1.91 -0.16 113.55 114.72 1qso h SER 64 Ca -0.48 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1qso h SER 64 Cb 1.22 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1qso h SER 64 CO 0.67 -0.03 -0.01 0.28 -1.14 0.00 0.00 176.83 176.60 1qso h SER 65 N -0.49 -0.02 -0.55 3.07 0.02 -1.99 -3.34 113.55 110.25 1qso h SER 65 Ca -0.03 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.08 1qso h SER 65 Cb 0.37 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1qso h SER 65 CO 0.05 0.02 0.58 -1.28 -1.14 0.00 0.00 176.83 175.06 1qso h SER 66 N -0.08 0.00 0.00 3.07 0.87 -1.99 -3.44 113.55 111.98 1qso h SER 66 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1qso h SER 66 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1qso h SER 66 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 1qso n GLU 67 N -3.69 -1.45 -3.28 2.24 -0.58 -0.07 -4.93 120.64 108.87 1qso n GLU 67 Ca 0.11 0.36 -0.38 0.00 -0.42 0.00 0.00 57.16 56.83 1qso n GLU 67 Cb 0.79 -4.75 -0.06 0.00 -0.57 0.00 0.00 31.44 26.85 1qso n GLU 67 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1qso s LYS 68 N -1.65 4.18 0.11 3.49 -2.85 -1.26 -4.65 119.74 117.11 1qso s LYS 68 Ca 0.00 0.72 -0.31 0.00 -1.00 0.00 0.00 55.97 55.38 1qso s LYS 68 Cb 0.00 -3.20 -0.09 0.00 -2.06 0.00 0.00 37.83 32.49 1qso s LYS 68 CO 0.00 0.62 1.53 0.42 0.10 0.00 0.00 175.35 178.02 1qso s ILE 69 N -1.16 3.02 -0.23 3.79 1.01 -1.26 -0.76 121.20 125.61 1qso s ILE 69 Ca 0.30 0.64 -0.16 0.00 0.00 0.00 0.00 60.65 61.44 1qso s ILE 69 Cb -0.19 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 38.78 1qso s ILE 69 CO 0.19 0.03 -0.34 -0.38 0.00 0.00 0.00 174.94 174.44 1qso n ILE 70 N 4.24 1.51 -4.34 2.92 2.08 0.34 -4.92 119.36 121.20 1qso n ILE 70 Ca 0.14 -0.10 -0.17 0.00 0.56 0.00 0.00 62.75 63.17 1qso n ILE 70 Cb 0.40 -2.13 -0.10 0.00 -0.75 0.00 0.00 39.64 37.06 1qso n ILE 70 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1qso s GLY 71 N -5.17 1.75 0.17 7.39 0.00 -1.10 -1.74 107.32 108.62 1qso s GLY 71 Ca -0.33 -1.88 0.04 0.00 0.00 0.00 0.00 44.72 42.55 1qso s GLY 71 CO 0.46 -1.64 -0.06 -3.16 0.00 0.00 0.00 173.10 168.69 1qso s MET 72 N -3.98 1.13 -0.27 2.90 0.23 0.00 -1.14 119.30 118.17 1qso s MET 72 Ca 0.36 -1.52 -0.02 0.00 -1.03 0.00 0.00 55.69 53.48 1qso s MET 72 Cb 0.08 -0.57 0.16 0.00 -1.53 0.00 0.00 34.83 32.96 1qso s MET 72 CO 0.13 0.01 0.46 -1.50 -2.03 0.00 0.00 175.02 172.09 1qso s ILE 73 N -3.39 -0.76 -0.24 3.16 2.07 -0.60 -2.13 121.20 119.30 1qso s ILE 73 Ca 0.20 -0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.29 1qso s ILE 73 Cb 0.04 -0.89 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 1qso s ILE 73 CO 0.03 -0.08 0.17 0.20 -1.91 0.00 0.00 174.94 173.35 1qso s ASN 74 N 2.67 6.12 0.07 4.50 0.01 -0.27 -1.71 114.94 126.32 1qso s ASN 74 Ca 0.16 0.12 -0.02 0.00 -0.71 0.00 0.00 52.86 52.40 1qso s ASN 74 Cb -0.15 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 1qso s ASN 74 CO -0.18 0.05 0.02 0.72 -1.51 0.00 0.00 177.10 176.20 1qso s PHE 75 N 1.11 0.50 0.23 2.20 -0.71 -0.49 -0.63 117.98 120.18 1qso s PHE 75 Ca 0.08 -1.01 -0.17 0.00 -1.04 0.00 0.00 56.93 54.79 1qso s PHE 75 Cb -0.14 -0.35 0.02 0.00 -1.21 0.00 0.00 43.02 41.35 1qso s PHE 75 CO 0.05 -0.42 0.56 -0.59 -1.34 0.00 0.00 175.22 173.48 1qso s PHE 76 N -3.92 -0.02 0.19 3.49 -0.12 -0.76 -1.06 117.98 115.78 1qso s PHE 76 Ca 0.09 -0.35 -0.07 0.00 -0.05 0.00 0.00 56.93 56.54 1qso s PHE 76 Cb 0.07 0.42 -0.06 0.00 -0.63 0.00 0.00 43.02 42.82 1qso s PHE 76 CO -0.09 -1.01 0.47 1.21 -0.05 0.00 0.00 175.22 175.75 1qso s ASN 77 N -2.92 6.55 -0.16 1.98 3.84 -0.98 -0.36 114.94 122.89 1qso s ASN 77 Ca 0.13 0.75 -0.29 0.00 0.21 0.00 0.00 52.86 53.66 1qso s ASN 77 Cb -0.02 -2.16 0.11 0.00 -0.55 0.00 0.00 41.25 38.63 1qso s ASN 77 CO 0.02 -0.02 0.92 -1.38 -2.79 0.00 0.00 177.10 173.85 1qso s HIS 78 N -1.76 -0.47 1.09 0.43 -3.43 -0.33 -4.95 115.29 105.86 1qso s HIS 78 Ca 0.44 0.89 -0.13 0.00 -0.80 0.00 0.00 55.06 55.47 1qso s HIS 78 Cb -0.12 0.42 0.24 0.00 -1.43 0.00 0.00 32.58 31.69 1qso s HIS 78 CO 0.23 -0.38 1.06 -1.64 -2.00 0.00 0.00 174.74 172.01 1qso s MET 79 N -0.81 -0.30 -0.01 -0.38 -1.94 -1.26 -0.29 119.30 114.31 1qso s MET 79 Ca -0.03 0.69 -0.10 0.00 -1.71 0.00 0.00 55.69 54.54 1qso s MET 79 Cb -0.01 -1.64 0.01 0.00 2.01 0.00 0.00 34.83 35.20 1qso s MET 79 CO 0.02 -3.27 0.22 0.99 -0.01 0.00 0.00 175.02 172.97 1qso s THR 80 N -2.70 0.06 -1.78 2.05 2.01 -1.26 -4.66 115.64 109.36 1qso s THR 80 Ca 0.67 -0.53 0.25 0.00 0.31 0.00 0.00 61.69 62.39 1qso s THR 80 Cb -0.22 -0.49 0.13 0.00 0.01 0.00 0.00 72.50 71.93 1qso s THR 80 CO 0.61 -0.29 1.35 0.35 -0.69 0.00 0.00 174.62 175.95 1qso n THR 81 N 1.56 0.00 1.13 -0.82 -2.24 -1.26 -4.01 114.28 108.64 1qso n THR 81 Ca -0.21 -0.16 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1qso n THR 81 Cb 0.56 0.73 0.18 0.00 -2.10 0.00 0.00 70.33 69.71 1qso n THR 81 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1qso n TRP 82 N -0.51 0.00 -3.49 4.78 7.02 -1.26 -4.98 117.44 119.00 1qso n TRP 82 Ca 0.10 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.44 1qso n TRP 82 Cb 0.39 -0.04 -0.04 0.00 -2.42 0.00 0.00 31.31 29.20 1qso n TRP 82 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1qso s ASP 83 N -2.38 -0.56 0.26 -0.99 2.15 -1.26 -5.03 116.67 108.87 1qso s ASP 83 Ca 0.24 0.33 0.01 0.00 0.43 0.00 0.00 52.55 53.56 1qso s ASP 83 Cb 0.19 0.52 0.36 0.00 -0.30 0.00 0.00 42.92 43.69 1qso s ASP 83 CO 0.50 -0.72 1.69 -0.26 -0.17 0.00 0.00 175.17 176.21 1qso h PHE 84 N 2.46 0.59 -4.10 -5.34 -1.00 -1.94 -3.41 116.94 104.20 1qso h PHE 84 Ca -0.28 -0.13 -0.46 0.00 2.81 0.00 0.00 57.97 59.91 1qso h PHE 84 Cb 1.22 -0.14 0.01 0.00 3.61 0.00 0.00 35.95 40.64 1qso h PHE 84 CO 0.30 0.74 0.36 0.15 -1.61 0.00 0.00 178.31 178.26 1qso s LYS 85 N -4.47 3.98 0.26 1.51 1.02 -1.26 -4.97 119.74 115.80 1qso s LYS 85 Ca -0.07 1.16 -0.03 0.00 0.02 0.00 0.00 55.97 57.05 1qso s LYS 85 Cb 0.13 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1qso s LYS 85 CO 0.80 -0.25 0.49 -0.51 -0.92 0.00 0.00 175.35 174.96 1qso s ASP 86 N -2.35 6.41 0.34 2.83 1.01 -1.26 -4.46 116.67 119.20 1qso s ASP 86 Ca 0.63 0.58 0.04 0.00 0.71 0.00 0.00 52.55 54.51 1qso s ASP 86 Cb -0.12 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 1qso s ASP 86 CO 0.20 -0.14 0.50 -0.54 0.21 0.00 0.00 175.17 175.41 1qso s LYS 87 N -3.49 3.21 -0.06 8.23 1.02 0.61 -4.64 119.74 124.61 1qso s LYS 87 Ca 0.42 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.67 1qso s LYS 87 Cb -0.11 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1qso s LYS 87 CO 0.30 0.07 -0.20 0.42 -0.92 0.00 0.00 175.35 175.02 1qso s ILE 88 N -2.23 2.54 -0.19 2.17 1.01 -0.56 -1.19 121.20 122.76 1qso s ILE 88 Ca 0.43 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1qso s ILE 88 Cb -0.10 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.44 1qso s ILE 88 CO 0.33 0.57 -0.15 -0.47 0.00 0.00 0.00 174.94 175.22 1qso s TYR 89 N -0.30 2.63 -0.68 3.97 5.04 0.52 -2.10 117.35 126.42 1qso s TYR 89 Ca 0.01 -1.64 -0.27 0.00 -2.44 0.00 0.00 57.07 52.73 1qso s TYR 89 Cb -0.13 -1.78 0.02 0.00 0.35 0.00 0.00 41.96 40.42 1qso s TYR 89 CO 0.03 -0.77 1.33 0.42 -1.34 0.00 0.00 175.55 175.21 1qso s ILE 90 N 1.33 3.74 0.13 3.14 1.01 -0.51 -1.82 121.20 128.23 1qso s ILE 90 Ca 0.02 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.20 1qso s ILE 90 Cb -0.15 -4.75 -0.20 0.00 0.01 0.00 0.00 42.46 37.37 1qso s ILE 90 CO -0.10 -1.62 1.30 -1.13 0.00 0.00 0.00 174.94 173.39 1qso h ASN 91 N 10.48 0.19 -3.56 3.58 -0.73 -1.18 -3.41 115.58 120.96 1qso h ASN 91 Ca -0.27 -0.18 -0.21 0.00 1.87 0.00 0.00 56.30 57.51 1qso h ASN 91 Cb 1.07 -0.06 -0.29 0.00 0.27 0.00 0.00 38.32 39.30 1qso h ASN 91 CO 1.25 1.07 -0.54 -1.81 -0.37 0.00 0.00 177.43 177.03 1qso s ASP 92 N -6.90 -0.17 -0.04 1.15 1.11 -0.78 -4.98 116.67 106.06 1qso s ASP 92 Ca -0.02 0.37 -0.01 0.00 0.18 0.00 0.00 52.55 53.07 1qso s ASP 92 Cb 0.09 0.30 0.03 0.00 1.07 0.00 0.00 42.92 44.41 1qso s ASP 92 CO 0.83 -0.12 0.02 -0.22 1.18 0.00 0.00 175.17 176.87 1qso s LEU 93 N 0.74 0.74 -0.20 1.23 1.98 -1.26 -1.11 118.68 120.80 1qso s LEU 93 Ca -0.05 -0.01 -0.14 0.00 -2.89 0.00 0.00 54.13 51.04 1qso s LEU 93 Cb -0.07 -0.24 0.06 0.00 0.66 0.00 0.00 46.19 46.60 1qso s LEU 93 CO -0.04 -0.16 0.51 -0.47 -1.89 0.00 0.00 176.35 174.30 1qso s TYR 94 N 1.56 -0.69 0.14 5.38 5.04 -0.91 -5.02 117.35 122.86 1qso s TYR 94 Ca -0.02 1.51 0.10 0.00 -2.44 0.00 0.00 57.07 56.21 1qso s TYR 94 Cb -0.13 0.31 -0.04 0.00 0.35 0.00 0.00 41.96 42.46 1qso s TYR 94 CO -0.03 -0.35 -0.20 0.08 -1.34 0.00 0.00 175.55 173.71 1qso s VAL 95 N 0.99 2.68 0.19 3.14 1.01 -1.26 -0.82 120.40 126.34 1qso s VAL 95 Ca -0.06 -1.68 -0.33 0.00 0.00 0.00 0.00 61.98 59.92 1qso s VAL 95 Cb -0.06 -2.25 -0.13 0.00 0.00 0.00 0.00 36.38 33.95 1qso s VAL 95 CO -0.09 0.03 1.67 -0.67 0.00 0.00 0.00 175.10 176.04 1qso n ASP 96 N 0.61 3.64 -0.12 3.32 2.03 -0.71 -4.89 116.55 120.43 1qso n ASP 96 Ca -0.15 1.07 -0.09 0.00 0.52 0.00 0.00 54.79 56.14 1qso n ASP 96 Cb 0.54 -1.52 -0.01 0.00 -0.72 0.00 0.00 41.12 39.41 1qso n ASP 96 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1qso h GLU 97 N 6.44 0.56 -0.18 -0.67 4.81 -1.98 -1.98 114.58 121.58 1qso h GLU 97 Ca -0.44 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 58.73 1qso h GLU 97 Cb 1.22 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1qso h GLU 97 CO 0.93 0.56 0.24 -0.91 -0.73 0.00 0.00 179.01 179.10 1qso h ASN 98 N 0.45 0.00 -2.38 1.04 -0.26 -2.00 -3.07 115.58 109.37 1qso h ASN 98 Ca 0.12 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.27 1qso h ASN 98 Cb 0.21 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 37.09 1qso h ASN 98 CO -0.01 0.00 -0.95 -0.24 -1.06 0.00 0.00 177.43 175.18 1qso n SER 99 N -3.58 0.09 -4.75 5.81 2.88 -0.77 -5.11 113.62 108.19 1qso n SER 99 Ca 0.02 -2.54 -0.23 0.00 -1.33 0.00 0.00 58.87 54.79 1qso n SER 99 Cb 0.36 -0.59 -0.06 0.00 -0.75 0.00 0.00 64.21 63.17 1qso n SER 99 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1qso s ARG 100 N -0.36 2.35 -0.76 -1.46 6.06 -1.04 -4.13 118.95 119.60 1qso s ARG 100 Ca 0.33 -1.62 -0.00 0.00 -2.50 0.00 0.00 55.73 51.93 1qso s ARG 100 Cb 0.05 -2.14 -0.00 0.00 0.06 0.00 0.00 34.95 32.92 1qso s ARG 100 CO -0.18 0.03 0.71 0.28 -2.50 0.00 0.00 175.30 173.64 1qso n VAL 101 N -1.20-10.01 0.00 7.11 0.31 -1.26 -4.97 118.33 108.30 1qso n VAL 101 Ca -0.02 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1qso n VAL 101 Cb 0.62 -6.84 0.00 0.00 -0.91 0.00 0.00 33.84 26.71 1qso n VAL 101 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1qso n LYS 102 N -1.88 0.00 0.00 5.55 4.81 -1.26 -5.10 118.16 120.28 1qso n LYS 102 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1qso n LYS 102 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1qso n LYS 102 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qso n GLY 103 N 0.35 0.00 3.77 3.14 0.00 -1.26 -5.11 105.19 106.07 1qso n GLY 103 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1qso n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qso s ALA 104 N -0.19 3.39 0.00 4.61 0.00 -1.26 -2.62 121.76 125.69 1qso s ALA 104 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1qso s ALA 104 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1qso s ALA 104 CO 0.00 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.24 1qso n GLY 105 N 0.62 2.79 0.25 0.00 0.00 -1.26 -4.68 105.19 102.91 1qso n GLY 105 Ca 0.02 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 1qso n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qso h GLY 106 N 0.00 0.66 1.70 -0.02 0.00 -1.95 0.22 103.07 103.68 1qso h GLY 106 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 47.33 46.56 1qso h GLY 106 CO 0.00 0.51 -1.12 0.50 0.00 0.00 0.00 176.54 176.43 1qso h LYS 107 N 0.54 0.00 -0.10 4.80 1.57 -1.77 -2.68 116.57 118.91 1qso h LYS 107 Ca 0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1qso h LYS 107 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1qso h LYS 107 CO 0.05 0.76 -0.05 1.25 -0.57 0.00 0.00 179.45 180.90 1qso h LEU 108 N 0.00 0.22 -0.66 2.94 5.85 -1.74 -1.62 115.31 120.30 1qso h LEU 108 Ca -0.08 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 1qso h LEU 108 Cb 1.76 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 1qso h LEU 108 CO 0.10 0.58 0.26 0.40 -0.34 0.00 0.00 178.44 179.44 1qso h ILE 109 N -0.14 1.24 -0.82 4.05 2.04 -0.67 -2.75 117.51 120.45 1qso h ILE 109 Ca 0.02 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.17 1qso h ILE 109 Cb 0.49 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1qso h ILE 109 CO 0.01 0.30 0.52 -0.61 0.00 0.00 0.00 178.15 178.37 1qso h GLN 110 N 0.93 0.95 -0.40 2.37 5.75 -1.39 -1.65 115.11 121.67 1qso h GLN 110 Ca 0.22 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 58.73 1qso h GLN 110 Cb 0.22 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 1qso h GLN 110 CO -0.02 0.63 0.03 0.35 -2.65 0.00 0.00 178.83 177.17 1qso h PHE 111 N 0.97 0.04 -0.68 3.99 3.57 -1.00 -0.78 116.94 123.06 1qso h PHE 111 Ca 0.34 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.89 1qso h PHE 111 Cb 0.09 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1qso h PHE 111 CO -0.03 -0.04 0.44 0.28 -2.23 0.00 0.00 178.31 176.72 1qso h VAL 112 N 0.15 1.15 -0.12 1.41 2.07 -1.18 1.00 116.25 120.72 1qso h VAL 112 Ca 0.20 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1qso h VAL 112 Cb 0.27 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1qso h VAL 112 CO -0.30 0.16 -0.01 1.88 0.02 0.00 0.00 177.57 179.32 1qso h TYR 113 N 0.89 -0.03 -0.72 1.57 0.05 -0.55 0.21 116.97 118.39 1qso h TYR 113 Ca 0.26 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.02 1qso h TYR 113 Cb -0.07 0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1qso h TYR 113 CO -0.03 -0.03 0.34 -0.44 -1.05 0.00 0.00 178.16 176.95 1qso h ASP 114 N 0.03 0.93 0.59 3.88 3.32 -0.63 -0.23 116.42 124.32 1qso h ASP 114 Ca 0.06 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 1qso h ASP 114 Cb 0.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1qso h ASP 114 CO -0.10 0.80 -0.85 -0.33 -1.72 0.00 0.00 179.24 177.03 1qso h GLU 115 N 1.02 0.18 -0.41 3.56 4.39 -0.50 -3.04 114.58 119.78 1qso h GLU 115 Ca 0.25 -0.19 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 1qso h GLU 115 Cb 0.12 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1qso h GLU 115 CO -0.03 0.93 -0.34 0.00 -1.16 0.00 0.00 179.01 178.41 1qso h ALA 116 N 1.01 0.60 -0.93 3.43 0.00 -0.19 -2.25 119.26 120.92 1qso h ALA 116 Ca -0.04 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1qso h ALA 116 Cb 1.48 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1qso h ALA 116 CO 0.13 0.67 0.62 -0.44 0.00 0.00 0.00 179.25 180.23 1qso h ASP 117 N 0.79 1.07 0.08 0.00 3.32 -1.04 -0.88 116.42 119.75 1qso h ASP 117 Ca 0.07 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1qso h ASP 117 Cb 0.93 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1qso h ASP 117 CO 0.09 0.77 -0.38 0.11 -1.72 0.00 0.00 179.24 178.11 1qso h LYS 118 N 1.26 0.40 0.00 3.56 1.57 -1.41 -2.66 116.57 119.28 1qso h LYS 118 Ca 0.34 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1qso h LYS 118 Cb -0.13 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1qso h LYS 118 CO -0.08 0.72 0.00 1.28 -0.57 0.00 0.00 179.45 180.80 1qso n LEU 119 N -4.04 0.00 -0.82 2.94 4.77 -0.43 -4.88 117.00 114.54 1qso n LEU 119 Ca -0.01 0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 1qso n LEU 119 Cb 0.48 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1qso n LEU 119 CO 0.43 -0.09 -0.10 0.61 -1.33 0.00 0.00 177.39 176.91 1qso n GLY 120 N 0.78 1.10 2.44 -0.72 0.00 -0.67 -4.93 105.19 103.19 1qso n GLY 120 Ca 0.08 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1qso n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qso n THR 121 N -2.78 0.98 0.33 2.61 -2.24 -0.83 -4.81 114.28 107.55 1qso n THR 121 Ca -0.11 -4.87 0.08 0.00 -2.27 0.00 0.00 64.05 56.88 1qso n THR 121 Cb 0.36 -1.02 0.35 0.00 -2.10 0.00 0.00 70.33 67.91 1qso n THR 121 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1qso n PRO 122 N 0.33 0.08 -2.40 -0.78 -0.04 -1.24 -4.43 135.00 126.52 1qso n PRO 122 Ca 0.27 0.40 -0.37 0.00 -0.04 0.00 0.00 63.50 63.76 1qso n PRO 122 Cb 0.54 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1qso n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qso s SER 123 N -3.51 6.08 0.04 3.54 0.15 -1.26 -4.93 113.70 113.80 1qso s SER 123 Ca 0.04 -1.31 -0.00 0.00 0.70 0.00 0.00 55.95 55.38 1qso s SER 123 Cb 0.07 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1qso s SER 123 CO 0.24 -1.90 0.16 -0.69 1.20 0.00 0.00 173.24 172.26 1qso s VAL 124 N 6.61 5.16 0.18 4.45 1.01 -1.26 -1.49 120.40 135.06 1qso s VAL 124 Ca 0.54 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 1qso s VAL 124 Cb -0.02 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.96 1qso s VAL 124 CO -0.05 0.22 0.63 -0.72 0.00 0.00 0.00 175.10 175.17 1qso s TYR 125 N -1.39 -0.47 0.15 5.22 -0.85 -0.89 -4.97 117.35 114.15 1qso s TYR 125 Ca 0.30 0.21 -0.02 0.00 -0.52 0.00 0.00 57.07 57.04 1qso s TYR 125 Cb -0.13 0.59 0.01 0.00 0.38 0.00 0.00 41.96 42.81 1qso s TYR 125 CO 0.22 -0.92 0.23 -2.67 -1.52 0.00 0.00 175.55 170.89 1qso n TRP 126 N -0.39 -1.00 -4.19 -3.49 2.14 -1.26 -1.43 117.44 107.81 1qso n TRP 126 Ca -0.14 -0.95 -0.11 0.00 2.07 0.00 0.00 57.50 58.36 1qso n TRP 126 Cb 0.64 0.26 -0.10 0.00 -0.81 0.00 0.00 31.31 31.30 1qso n TRP 126 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1qso s THR 128 N -4.01 0.00 0.33 0.00 -1.32 -1.26 -5.06 115.64 104.31 1qso s THR 128 Ca 0.30 -0.12 -0.28 0.00 -1.21 0.00 0.00 61.69 60.38 1qso s THR 128 Cb 0.07 -1.16 -0.10 0.00 -1.51 0.00 0.00 72.50 69.81 1qso s THR 128 CO 0.06 0.00 1.19 -1.81 -2.21 0.00 0.00 174.62 171.85 1qso s ASP 129 N -2.61 6.91 0.30 8.08 1.01 -1.26 -4.89 116.67 124.21 1qso s ASP 129 Ca 0.05 2.43 0.06 0.00 0.71 0.00 0.00 52.55 55.80 1qso s ASP 129 Cb -0.01 -2.63 0.79 0.00 1.01 0.00 0.00 42.92 42.07 1qso s ASP 129 CO -0.08 -0.41 1.69 -0.33 0.21 0.00 0.00 175.17 176.25 1qso h GLU 130 N 3.36 0.38 -0.94 8.23 5.08 -2.06 -0.14 114.58 128.49 1qso h GLU 130 Ca -0.48 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.78 1qso h GLU 130 Cb 1.22 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 1qso h GLU 130 CO 0.65 0.25 0.10 -1.13 -1.00 0.00 0.00 179.01 177.88 1qso n SER 131 N -5.04 2.81 -3.77 1.42 3.41 -1.26 -4.56 113.62 106.63 1qso n SER 131 Ca 0.24 -2.37 -0.40 0.00 -0.26 0.00 0.00 58.87 56.07 1qso n SER 131 Cb 0.71 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1qso n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qso n ASN 132 N 0.10 6.46 -0.27 4.04 2.85 -0.07 -4.84 115.26 123.53 1qso n ASN 132 Ca 0.13 -3.53 0.02 0.00 -0.11 0.00 0.00 54.58 51.09 1qso n ASN 132 Cb 0.69 -1.15 0.24 0.00 1.24 0.00 0.00 39.78 40.80 1qso n ASN 132 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1qso h HIS 133 N 4.75 1.01 -0.17 1.20 3.86 -1.85 -2.17 115.15 121.77 1qso h HIS 133 Ca 0.32 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.60 1qso h HIS 133 Cb 0.50 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1qso h HIS 133 CO 1.10 0.58 -0.11 -0.09 0.86 0.00 0.00 177.93 180.27 1qso h ARG 134 N 1.04 -0.10 0.00 2.45 2.43 -1.99 -0.97 114.38 117.23 1qso h ARG 134 Ca 0.34 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.41 1qso h ARG 134 Cb 0.06 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1qso h ARG 134 CO -0.11 -0.07 -0.52 0.00 -1.51 0.00 0.00 179.97 177.77 1qso h ALA 135 N 1.04 0.93 0.00 2.80 0.00 -1.94 -3.04 119.26 119.06 1qso h ALA 135 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1qso h ALA 135 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qso h ALA 135 CO -0.24 0.65 0.00 1.96 0.00 0.00 0.00 179.25 181.62 1qso h GLN 136 N 0.00 0.00 -0.10 0.00 4.20 -0.70 -0.80 115.11 117.70 1qso h GLN 136 Ca -0.01 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1qso h GLN 136 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1qso h GLN 136 CO 0.07 0.00 -0.37 -0.07 -0.67 0.00 0.00 178.83 177.78 1qso h LEU 137 N 0.00 0.21 0.00 1.46 3.38 -1.08 -2.70 115.31 116.58 1qso h LEU 137 Ca 0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1qso h LEU 137 Cb 0.59 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1qso h LEU 137 CO 0.00 0.57 -0.58 0.25 0.09 0.00 0.00 178.44 178.77 1qso h LEU 138 N 0.17 0.00 -0.96 1.67 5.85 -1.59 -3.37 115.31 117.08 1qso h LEU 138 Ca 0.02 -0.38 0.28 0.00 0.84 0.00 0.00 57.88 58.65 1qso h LEU 138 Cb 0.74 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.63 1qso h LEU 138 CO 0.06 1.01 0.44 1.88 -0.34 0.00 0.00 178.44 181.49 1qso h TYR 139 N -1.00 0.71 -0.39 1.25 0.99 -1.22 0.12 116.97 117.43 1qso h TYR 139 Ca -0.12 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1qso h TYR 139 Cb 0.79 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 38.35 1qso h TYR 139 CO 0.03 -0.18 0.21 0.28 -0.00 0.00 0.00 178.16 178.50 1qso h VAL 140 N 0.29 1.12 -0.08 -2.88 2.07 -1.66 0.34 116.25 115.45 1qso h VAL 140 Ca 0.66 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.68 1qso h VAL 140 Cb 1.43 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1qso h VAL 140 CO -0.62 0.14 -0.74 0.11 0.02 0.00 0.00 177.57 176.48 1qso h LYS 141 N 0.54 0.43 0.00 1.57 1.57 -0.92 -3.34 116.57 116.42 1qso h LYS 141 Ca 0.14 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1qso h LYS 141 Cb 0.02 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1qso h LYS 141 CO -0.02 0.99 -1.84 1.33 -0.57 0.00 0.00 179.45 179.34 1qso n VAL 142 N -3.84 0.03 -2.81 0.50 0.24 -1.04 -5.03 118.33 106.37 1qso n VAL 142 Ca -0.05 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1qso n VAL 142 Cb 0.71 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 1qso n VAL 142 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qso n GLY 143 N 1.28 4.84 3.29 7.63 0.00 0.12 -5.10 105.19 117.25 1qso n GLY 143 Ca -0.03 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 1qso n GLY 143 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qso s TYR 144 N -1.26 -0.36 0.06 1.61 -0.85 -1.26 -4.41 117.35 110.88 1qso s TYR 144 Ca 0.00 0.78 -0.30 0.00 -0.52 0.00 0.00 57.07 57.03 1qso s TYR 144 Cb 0.00 0.15 -0.08 0.00 0.38 0.00 0.00 41.96 42.40 1qso s TYR 144 CO 0.00 -0.30 1.74 0.15 -1.52 0.00 0.00 175.55 175.62 1qso s LYS 145 N -0.44 4.17 0.21 -3.49 1.02 -1.26 -4.98 119.74 114.98 1qso s LYS 145 Ca -0.06 2.42 -0.26 0.00 0.02 0.00 0.00 55.97 58.09 1qso s LYS 145 Cb -0.03 -3.74 -0.08 0.00 -0.52 0.00 0.00 37.83 33.45 1qso s LYS 145 CO 0.02 -0.81 0.83 0.00 -0.92 0.00 0.00 175.35 174.47 1qso s ALA 146 N 3.15 3.39 0.00 5.17 0.00 -1.26 -4.93 121.76 127.28 1qso s ALA 146 Ca 0.78 0.42 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1qso s ALA 146 Cb -0.41 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1qso s ALA 146 CO 0.34 0.26 0.95 -0.35 0.00 0.00 0.00 175.76 176.96 1qso n PRO 147 N 1.32 0.87 -3.16 0.00 -0.04 -1.26 -4.87 135.00 127.85 1qso n PRO 147 Ca -0.03 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.17 1qso n PRO 147 Cb 0.49 -1.07 -0.01 0.00 -0.04 0.00 0.00 33.50 32.87 1qso n PRO 147 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1qso s LYS 148 N 0.14 3.53 -0.17 0.54 -0.14 -1.26 -5.09 119.74 117.29 1qso s LYS 148 Ca 0.00 -0.11 -0.01 0.00 -1.36 0.00 0.00 55.97 54.49 1qso s LYS 148 Cb 0.00 -2.58 0.04 0.00 -1.68 0.00 0.00 37.83 33.62 1qso s LYS 148 CO 0.00 0.06 -0.04 0.42 -0.76 0.00 0.00 175.35 175.03 1qso s ILE 149 N -2.39 1.09 -0.01 2.17 1.01 -1.26 -5.12 121.20 116.69 1qso s ILE 149 Ca 0.43 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 60.14 1qso s ILE 149 Cb -0.10 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1qso s ILE 149 CO 0.37 0.08 0.83 -0.76 0.00 0.00 0.00 174.94 175.46 1qso s LEU 150 N 1.63 4.37 0.12 2.97 1.43 -1.26 -5.06 118.68 122.89 1qso s LEU 150 Ca -0.00 1.44 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1qso s LEU 150 Cb -0.16 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1qso s LEU 150 CO -0.08 -0.14 -0.11 -0.31 0.23 0.00 0.00 176.35 175.94 1qso s TYR 151 N 0.67 2.69 0.05 0.29 1.51 -1.26 -5.14 117.35 116.15 1qso s TYR 151 Ca 0.43 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 1qso s TYR 151 Cb -0.20 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 1qso s TYR 151 CO 0.23 0.44 -0.08 0.15 -1.11 0.00 0.00 175.55 175.17 1qso s LYS 152 N -2.32 0.59 0.23 -0.62 1.02 -1.26 -5.12 119.74 112.26 1qso s LYS 152 Ca 0.21 -0.84 -0.31 0.00 0.02 0.00 0.00 55.97 55.06 1qso s LYS 152 Cb -0.11 -0.34 -0.14 0.00 -0.52 0.00 0.00 37.83 36.73 1qso s LYS 152 CO 0.13 0.06 1.29 -2.13 -0.92 0.00 0.00 175.35 173.78 1qso n ARG 153 N 1.29 1.72 -0.38 1.68 0.63 -1.26 -4.87 116.66 115.47 1qso n ARG 153 Ca -0.22 0.61 -0.04 0.00 -0.92 0.00 0.00 57.85 57.28 1qso n ARG 153 Cb 0.55 -2.19 -0.01 0.00 0.45 0.00 0.00 32.46 31.26 1qso n ARG 153 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1qso n LYS 154 N 1.74 -0.29 -0.05 -0.14 3.00 -1.26 -2.22 118.16 118.94 1qso n LYS 154 Ca 0.12 1.47 -0.13 0.00 -0.00 0.00 0.00 58.31 59.76 1qso n LYS 154 Cb 0.30 -2.17 -0.07 0.00 0.00 0.00 0.00 35.03 33.08 1qso n LYS 154 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1qso h GLY 155 N 0.00 0.39 -0.49 3.14 0.00 -2.08 -3.57 103.07 100.47 1qso h GLY 155 Ca 0.27 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1qso h GLY 155 CO -0.94 0.39 0.00 -1.72 0.00 0.00 0.00 176.54 174.27