#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c8o s VAL 2 N 0.00 4.74 0.41 0.58 1.01 -1.26 -0.84 120.40 125.05 2c8o s VAL 2 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 2c8o s VAL 2 Cb 0.00 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 2c8o s VAL 2 CO 0.00 -0.04 0.97 -0.36 0.00 0.00 0.00 175.10 175.67 2c8o s PHE 3 N 1.62 3.34 0.69 5.22 0.08 0.01 -4.99 117.98 123.95 2c8o s PHE 3 Ca 0.04 1.64 -0.12 0.00 0.12 0.00 0.00 56.93 58.61 2c8o s PHE 3 Cb -0.18 -2.91 0.01 0.00 -0.57 0.00 0.00 43.02 39.37 2c8o s PHE 3 CO 0.07 -0.18 1.08 0.20 -0.10 0.00 0.00 175.22 176.28 2c8o s GLY 4 N -2.00 1.84 0.12 4.36 0.00 -1.26 -4.82 107.32 105.55 2c8o s GLY 4 Ca 0.60 0.27 -0.29 0.00 0.00 0.00 0.00 44.72 45.30 2c8o s GLY 4 CO 0.17 0.60 1.60 -0.09 0.00 0.00 0.00 173.10 175.38 2c8o h ARG 5 N -0.49 -0.54 -0.13 2.90 2.43 -1.97 -0.19 114.38 116.40 2c8o h ARG 5 Ca -0.45 0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.63 2c8o h ARG 5 Cb 1.22 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2c8o h ARG 5 CO 0.55 -0.36 -0.49 0.00 -1.51 0.00 0.00 179.97 178.16 2c8o h GLU 7 N 0.27 0.87 -0.34 0.00 4.81 -1.90 -0.72 114.58 117.56 2c8o h GLU 7 Ca 0.01 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 2c8o h GLU 7 Cb 0.97 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2c8o h GLU 7 CO 0.08 0.59 -0.43 1.25 -0.73 0.00 0.00 179.01 179.77 2c8o h LEU 8 N 0.88 0.97 -0.42 1.64 5.85 -0.90 -1.80 115.31 121.53 2c8o h LEU 8 Ca 0.24 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.53 2c8o h LEU 8 Cb -0.08 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.62 2c8o h LEU 8 CO -0.05 1.27 0.09 0.00 -0.34 0.00 0.00 178.44 179.41 2c8o h ALA 9 N 0.73 0.47 -0.44 1.25 0.00 -1.10 0.18 119.26 120.34 2c8o h ALA 9 Ca 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2c8o h ALA 9 Cb 1.03 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2c8o h ALA 9 CO 0.10 -0.31 0.21 0.00 0.00 0.00 0.00 179.25 179.26 2c8o h ALA 10 N 1.31 0.57 -0.65 0.00 0.00 -1.08 -1.03 119.26 118.38 2c8o h ALA 10 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2c8o h ALA 10 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2c8o h ALA 10 CO -0.26 0.12 0.25 0.00 0.00 0.00 0.00 179.25 179.37 2c8o h ALA 11 N 1.06 0.85 -0.74 0.00 0.00 -0.93 -0.58 119.26 118.92 2c8o h ALA 11 Ca 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2c8o h ALA 11 Cb 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2c8o h ALA 11 CO -0.02 0.48 0.30 0.52 0.00 0.00 0.00 179.25 180.53 2c8o h MET 12 N 0.92 1.09 -0.35 0.00 2.86 -0.45 -1.58 114.93 117.42 2c8o h MET 12 Ca 0.22 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 2c8o h MET 12 Cb 0.22 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2c8o h MET 12 CO -0.02 0.88 -0.15 -0.22 1.06 0.00 0.00 176.91 178.46 2c8o h LYS 13 N 1.07 0.71 -0.36 1.72 3.64 -0.91 -0.84 116.57 121.60 2c8o h LYS 13 Ca 0.25 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2c8o h LYS 13 Cb 0.19 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2c8o h LYS 13 CO -0.02 0.90 0.19 0.07 -2.27 0.00 0.00 179.45 178.32 2c8o h ARG 14 N 0.49 0.49 -0.33 1.90 0.11 -0.88 -1.88 114.38 114.28 2c8o h ARG 14 Ca 0.08 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2c8o h ARG 14 Cb 0.68 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2c8o h ARG 14 CO 0.05 0.37 0.00 0.72 0.10 0.00 0.00 179.97 181.21 2c8o n HIS 15 N -4.43 0.44 -0.66 4.08 8.25 -0.62 -4.92 115.22 117.37 2c8o n HIS 15 Ca 0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2c8o n HIS 15 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 2c8o n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2c8o n GLY 16 N 1.09 0.61 0.14 -1.41 0.00 -0.71 -4.94 105.19 99.97 2c8o n GLY 16 Ca 0.13 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.69 2c8o n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c8o h LEU 17 N 0.00 0.00 -9.15 0.99 5.85 -1.35 -3.40 115.31 108.25 2c8o h LEU 17 Ca 0.00 -0.04 -0.56 0.00 0.84 0.00 0.00 57.88 58.12 2c8o h LEU 17 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2c8o h LEU 17 CO 0.00 0.02 1.28 -0.62 -0.34 0.00 0.00 178.44 178.78 2c8o s ASP 18 N -5.38 6.13 -1.30 1.25 2.15 -1.26 -1.36 116.67 116.90 2c8o s ASP 18 Ca 0.04 2.14 0.00 0.00 0.43 0.00 0.00 52.55 55.16 2c8o s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2c8o s ASP 18 CO 0.72 -1.39 0.00 -3.20 -0.17 0.00 0.00 175.17 171.13 2c8o n ASN 19 N 9.07 -4.94 -4.70 -0.34 4.05 -0.35 -4.90 115.26 113.15 2c8o n ASN 19 Ca 0.23 0.30 -0.42 0.00 0.45 0.00 0.00 54.58 55.14 2c8o n ASN 19 Cb 0.43 -3.52 -0.03 0.00 1.23 0.00 0.00 39.78 37.90 2c8o n ASN 19 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 2c8o s TYR 20 N -2.30 2.74 -1.24 1.20 5.04 -0.46 -1.16 117.35 121.17 2c8o s TYR 20 Ca 0.00 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 2c8o s TYR 20 Cb 0.00 -3.97 0.00 0.00 0.35 0.00 0.00 41.96 38.34 2c8o s TYR 20 CO 0.00 -3.73 0.00 0.54 -1.34 0.00 0.00 175.55 171.02 2c8o n ARG 21 N 4.73 -1.95 -0.95 4.97 5.12 -1.26 -1.44 116.66 125.89 2c8o n ARG 21 Ca 0.15 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2c8o n ARG 21 Cb 0.39 -5.23 0.00 0.00 -1.16 0.00 0.00 32.46 26.46 2c8o n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2c8o n GLY 22 N -0.71 0.58 3.52 -0.13 0.00 -0.31 -5.01 105.19 103.13 2c8o n GLY 22 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2c8o n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2c8o s TYR 23 N -2.22 3.18 0.83 1.61 2.02 -0.52 -4.90 117.35 117.34 2c8o s TYR 23 Ca 0.00 -0.13 -0.12 0.00 -0.37 0.00 0.00 57.07 56.44 2c8o s TYR 23 Cb 0.00 -2.85 0.10 0.00 -0.40 0.00 0.00 41.96 38.80 2c8o s TYR 23 CO 0.00 -0.59 1.19 -1.54 -1.57 0.00 0.00 175.55 173.04 2c8o s SER 24 N 1.79 3.45 0.32 2.29 1.04 -1.26 -1.21 113.70 120.12 2c8o s SER 24 Ca 0.14 2.32 0.09 0.00 0.48 0.00 0.00 55.95 58.98 2c8o s SER 24 Cb -0.16 -2.58 0.83 0.00 0.10 0.00 0.00 66.02 64.21 2c8o s SER 24 CO 0.13 -2.76 1.77 0.25 0.98 0.00 0.00 173.24 173.62 2c8o h LEU 25 N -1.12 0.70 -1.55 2.42 5.85 -1.90 -0.45 115.31 119.26 2c8o h LEU 25 Ca -0.45 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.39 2c8o h LEU 25 Cb 1.29 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 2c8o h LEU 25 CO 0.45 0.21 0.34 1.23 -0.34 0.00 0.00 178.44 180.33 2c8o h GLY 26 N 0.66 0.67 0.97 3.75 0.00 -1.91 -1.06 103.07 106.15 2c8o h GLY 26 Ca 0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 2c8o h GLY 26 CO -0.38 0.21 0.24 3.43 0.00 0.00 0.00 176.54 180.05 2c8o h ASN 27 N 0.60 0.54 -0.55 0.19 2.35 -1.30 -0.01 115.58 117.41 2c8o h ASN 27 Ca 0.20 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.79 2c8o h ASN 27 Cb 0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2c8o h ASN 27 CO -0.05 0.47 0.05 -0.50 -1.65 0.00 0.00 177.43 175.75 2c8o h TRP 28 N 0.57 1.01 -0.24 1.19 4.06 -1.38 -0.88 115.95 120.28 2c8o h TRP 28 Ca 0.15 -0.16 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 2c8o h TRP 28 Cb 0.04 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 2c8o h TRP 28 CO -0.02 0.90 -0.02 0.28 -3.56 0.00 0.00 178.44 176.01 2c8o h VAL 29 N 0.82 1.27 -0.53 1.49 2.07 -1.12 -1.46 116.25 118.78 2c8o h VAL 29 Ca 0.16 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.77 2c8o h VAL 29 Cb 0.46 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2c8o h VAL 29 CO 0.02 0.30 0.27 0.00 0.02 0.00 0.00 177.57 178.17 2c8o h ALA 31 N 1.29 0.54 -0.71 0.00 0.00 -1.03 -2.51 119.26 116.84 2c8o h ALA 31 Ca 0.24 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2c8o h ALA 31 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2c8o h ALA 31 CO -0.17 0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.37 2c8o h ALA 32 N 1.10 1.08 -0.22 0.00 0.00 -0.93 0.52 119.26 120.80 2c8o h ALA 32 Ca 0.15 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2c8o h ALA 32 Cb 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2c8o h ALA 32 CO -0.03 0.64 -0.06 -0.22 0.00 0.00 0.00 179.25 179.57 2c8o h LYS 33 N 1.05 -0.01 0.00 0.00 1.63 -0.62 -0.88 116.57 117.74 2c8o h LYS 33 Ca 0.23 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.95 2c8o h LYS 33 Cb 0.27 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2c8o h LYS 33 CO -0.01 -0.01 -0.78 0.74 -3.45 0.00 0.00 179.45 175.94 2c8o h PHE 34 N -0.01 0.00 -0.08 1.91 0.04 -1.25 0.15 116.94 117.70 2c8o h PHE 34 Ca 0.11 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.75 2c8o h PHE 34 Cb 0.18 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.34 2c8o h PHE 34 CO -0.24 0.33 -0.46 0.93 -0.60 0.00 0.00 178.31 178.27 2c8o h GLU 35 N 0.00 0.45 0.00 1.51 4.39 -0.81 -3.42 114.58 116.69 2c8o h GLU 35 Ca -0.05 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2c8o h GLU 35 Cb 1.29 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 2c8o h GLU 35 CO 0.03 1.01 0.00 -1.13 -1.16 0.00 0.00 179.01 177.77 2c8o n SER 36 N -4.29 0.21 -2.98 1.42 3.41 -0.36 -4.83 113.62 106.21 2c8o n SER 36 Ca -0.08 -0.76 -0.20 0.00 -0.26 0.00 0.00 58.87 57.57 2c8o n SER 36 Cb 0.58 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.62 2c8o n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2c8o n ASN 37 N -0.08 -4.57 -0.45 4.04 5.15 0.51 -1.99 115.26 117.86 2c8o n ASN 37 Ca 0.00 -0.19 -0.06 0.00 -0.60 0.00 0.00 54.58 53.73 2c8o n ASN 37 Cb 0.13 -3.77 -0.03 0.00 -0.53 0.00 0.00 39.78 35.58 2c8o n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2c8o n PHE 38 N -3.96 0.00 -3.33 1.20 3.72 -1.21 -4.83 117.46 109.05 2c8o n PHE 38 Ca -0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.89 2c8o n PHE 38 Cb 0.59 -1.47 -0.09 0.00 -0.94 0.00 0.00 39.48 37.57 2c8o n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2c8o s ASN 39 N -2.59 6.21 0.59 4.37 3.84 -0.84 -0.81 114.94 125.71 2c8o s ASN 39 Ca 0.00 -0.37 0.33 0.00 0.21 0.00 0.00 52.86 53.02 2c8o s ASN 39 Cb 0.00 -2.22 1.85 0.00 -0.55 0.00 0.00 41.25 40.33 2c8o s ASN 39 CO 0.00 -0.47 2.23 0.71 -2.79 0.00 0.00 177.10 176.77 2c8o h THR 40 N 5.64 0.41 -0.20 -5.21 1.35 -1.29 -2.69 112.91 110.92 2c8o h THR 40 Ca -0.28 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2c8o h THR 40 Cb 1.13 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2c8o h THR 40 CO 0.75 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 176.05 2c8o n GLN 41 N -3.61 1.86 -1.73 4.72 6.02 -1.26 -3.94 117.38 119.45 2c8o n GLN 41 Ca -0.03 -1.30 -0.42 0.00 -0.01 0.00 0.00 57.00 55.25 2c8o n GLN 41 Cb 0.12 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 2c8o n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c8o n ALA 42 N 0.52 2.77 -2.80 -1.58 0.00 -1.01 -4.80 120.51 113.61 2c8o n ALA 42 Ca 0.17 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.85 2c8o n ALA 42 Cb 0.38 -2.51 -0.12 0.00 0.00 0.00 0.00 19.45 17.20 2c8o n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c8o s THR 43 N 0.77 0.75 -0.15 0.00 -4.23 -1.26 -0.38 115.64 111.14 2c8o s THR 43 Ca 0.71 -1.17 -0.08 0.00 -1.18 0.00 0.00 61.69 59.97 2c8o s THR 43 Cb -0.50 -0.79 0.06 0.00 1.34 0.00 0.00 72.50 72.61 2c8o s THR 43 CO 0.38 -0.33 0.37 0.20 -0.54 0.00 0.00 174.62 174.70 2c8o s ASN 44 N -1.65 -0.43 0.02 3.99 0.01 -0.63 -4.97 114.94 111.29 2c8o s ASN 44 Ca -0.07 0.80 -0.27 0.00 -0.71 0.00 0.00 52.86 52.61 2c8o s ASN 44 Cb -0.10 0.70 -0.05 0.00 0.41 0.00 0.00 41.25 42.22 2c8o s ASN 44 CO 0.01 -0.19 0.84 -0.60 -1.51 0.00 0.00 177.10 175.65 2c8o s ARG 45 N 1.44 4.54 0.38 -0.60 6.06 -1.26 -0.55 118.95 128.95 2c8o s ARG 45 Ca -0.09 1.19 -0.06 0.00 -2.50 0.00 0.00 55.73 54.26 2c8o s ARG 45 Cb -0.09 -3.41 -0.05 0.00 0.06 0.00 0.00 34.95 31.46 2c8o s ARG 45 CO -0.12 0.15 0.68 -0.80 -2.50 0.00 0.00 175.30 172.71 2c8o s ASN 46 N 0.38 6.41 0.46 -2.12 0.02 0.47 -4.97 114.94 115.59 2c8o s ASN 46 Ca 0.43 0.88 0.17 0.00 -1.02 0.00 0.00 52.86 53.32 2c8o s ASN 46 Cb -0.21 -2.22 1.14 0.00 0.02 0.00 0.00 41.25 39.99 2c8o s ASN 46 CO 0.24 -0.37 1.99 0.71 0.02 0.00 0.00 177.10 179.70 2c8o h THR 47 N 0.93 0.86 -0.00 1.60 1.35 -1.97 -1.25 112.91 114.43 2c8o h THR 47 Ca -0.48 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2c8o h THR 47 Cb 1.20 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2c8o h THR 47 CO 0.64 0.05 -0.00 -0.90 -0.25 0.00 0.00 175.52 175.05 2c8o n ASP 48 N -4.45 0.09 0.00 5.36 5.75 -1.26 -4.89 116.55 117.15 2c8o n ASP 48 Ca 0.09 -0.84 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 2c8o n ASP 48 Cb 0.41 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2c8o n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c8o n GLY 49 N 1.08 0.57 3.76 6.12 0.00 -0.47 -4.99 105.19 111.25 2c8o n GLY 49 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2c8o n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c8o s SER 50 N -2.07 3.58 0.01 1.61 1.04 -1.26 -4.74 113.70 111.87 2c8o s SER 50 Ca 0.00 1.18 0.03 0.00 0.48 0.00 0.00 55.95 57.63 2c8o s SER 50 Cb 0.00 -1.83 -0.01 0.00 0.10 0.00 0.00 66.02 64.28 2c8o s SER 50 CO 0.00 -2.53 -0.08 -0.89 0.98 0.00 0.00 173.24 170.72 2c8o s THR 51 N -3.13 0.62 -0.13 2.02 2.01 -1.26 -0.40 115.64 115.38 2c8o s THR 51 Ca 0.63 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.96 2c8o s THR 51 Cb -0.16 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2c8o s THR 51 CO 0.55 -0.01 0.12 -1.81 -0.69 0.00 0.00 174.62 172.77 2c8o s ASP 52 N -0.68 6.19 -0.04 3.53 1.01 0.28 -0.84 116.67 126.12 2c8o s ASP 52 Ca -0.01 0.39 0.02 0.00 0.71 0.00 0.00 52.55 53.67 2c8o s ASP 52 Cb -0.05 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 41.90 2c8o s ASP 52 CO 0.00 0.38 -0.10 -0.31 0.21 0.00 0.00 175.17 175.34 2c8o s TYR 53 N -0.83 1.15 0.00 4.23 2.02 0.02 -1.60 117.35 122.34 2c8o s TYR 53 Ca 0.14 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 2c8o s TYR 53 Cb -0.12 -0.84 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 2c8o s TYR 53 CO 0.03 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 2c8o n GLY 54 N 3.51 -1.93 0.26 0.71 0.00 0.48 -1.53 105.19 106.69 2c8o n GLY 54 Ca -0.20 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.28 2c8o n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2c8o h ILE 55 N 0.00 0.95 -0.25 -0.61 3.07 -1.72 -1.47 117.51 117.48 2c8o h ILE 55 Ca 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.27 2c8o h ILE 55 Cb 0.00 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.63 2c8o h ILE 55 CO 0.00 0.04 0.00 0.18 -1.05 0.00 0.00 178.15 177.32 2c8o n LEU 56 N -4.38 3.01 -3.78 0.16 4.77 -1.26 -3.94 117.00 111.58 2c8o n LEU 56 Ca -0.03 -2.34 -0.26 0.00 -0.03 0.00 0.00 56.01 53.35 2c8o n LEU 56 Cb 0.12 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2c8o n LEU 56 CO 0.34 0.68 -0.13 0.00 -1.33 0.00 0.00 177.39 176.94 2c8o n GLN 57 N -0.04 -3.07 -2.60 3.23 1.13 -0.56 -4.89 117.38 110.58 2c8o n GLN 57 Ca 0.13 0.49 -0.41 0.00 -1.94 0.00 0.00 57.00 55.27 2c8o n GLN 57 Cb 0.54 -4.62 -0.04 0.00 0.11 0.00 0.00 30.24 26.23 2c8o n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2c8o s ILE 58 N -3.71 4.23 -0.08 5.09 1.01 -0.58 -4.33 121.20 122.82 2c8o s ILE 58 Ca 0.16 1.82 -0.16 0.00 0.00 0.00 0.00 60.65 62.47 2c8o s ILE 58 Cb -0.05 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 2c8o s ILE 58 CO 0.85 0.26 0.41 0.21 0.00 0.00 0.00 174.94 176.68 2c8o s ASN 59 N 0.17 6.68 0.11 3.58 3.84 -1.26 -0.80 114.94 127.26 2c8o s ASN 59 Ca 0.50 0.81 0.17 0.00 0.21 0.00 0.00 52.86 54.55 2c8o s ASN 59 Cb -0.26 -2.25 0.73 0.00 -0.55 0.00 0.00 41.25 38.92 2c8o s ASN 59 CO 0.32 0.14 1.53 -1.54 -2.79 0.00 0.00 177.10 174.75 2c8o n SER 60 N 2.97 0.27 -0.15 -4.21 3.41 -0.02 -1.92 113.62 113.98 2c8o n SER 60 Ca -0.11 0.57 0.01 0.00 -0.26 0.00 0.00 58.87 59.09 2c8o n SER 60 Cb 0.52 -0.63 0.28 0.00 -0.26 0.00 0.00 64.21 64.12 2c8o n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2c8o h ARG 61 N 0.00 0.84 0.00 4.33 9.65 -1.84 -3.38 114.38 123.99 2c8o h ARG 61 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2c8o h ARG 61 Cb 0.26 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2c8o h ARG 61 CO 0.00 0.59 -0.80 0.91 2.80 0.00 0.00 179.97 183.48 2c8o n TRP 62 N -4.41 0.00 -0.04 2.20 7.02 -1.18 -1.48 117.44 119.55 2c8o n TRP 62 Ca 0.06 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.52 2c8o n TRP 62 Cb 0.07 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.87 2c8o n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2c8o n TRP 63 N -1.88 0.00 -4.02 -5.99 7.02 -0.81 -1.06 117.44 110.70 2c8o n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 2c8o n TRP 63 Cb 0.40 -0.49 -0.09 0.00 -2.42 0.00 0.00 31.31 28.71 2c8o n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2c8o s ASN 65 N -2.91 6.18 0.00 0.00 2.47 -0.25 -4.58 114.94 115.84 2c8o s ASN 65 Ca 0.08 0.19 0.01 0.00 0.42 0.00 0.00 52.86 53.55 2c8o s ASN 65 Cb 0.07 -2.14 0.01 0.00 -1.45 0.00 0.00 41.25 37.75 2c8o s ASN 65 CO -0.09 0.02 0.62 -0.90 -3.72 0.00 0.00 177.10 173.02 2c8o n ASP 66 N 4.42 1.26 0.00 -4.21 5.68 -1.26 -0.84 116.55 121.60 2c8o n ASP 66 Ca -0.13 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 2c8o n ASP 66 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2c8o n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c8o n GLY 67 N -0.03 0.48 1.17 6.12 0.00 -1.26 -4.80 105.19 106.87 2c8o n GLY 67 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2c8o n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2c8o n ARG 68 N -1.75 0.07 -3.83 1.61 1.85 -1.26 -4.96 116.66 108.40 2c8o n ARG 68 Ca 0.00 -1.77 -0.29 0.00 -1.00 0.00 0.00 57.85 54.78 2c8o n ARG 68 Cb 0.08 -0.22 -0.13 0.00 -1.05 0.00 0.00 32.46 31.14 2c8o n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2c8o s THR 69 N -0.16 2.17 0.17 8.89 2.01 -1.26 -4.82 115.64 122.64 2c8o s THR 69 Ca 0.25 -3.31 -0.34 0.00 0.31 0.00 0.00 61.69 58.60 2c8o s THR 69 Cb 0.28 -2.48 -0.15 0.00 0.01 0.00 0.00 72.50 70.16 2c8o s THR 69 CO -0.12 -0.91 1.42 -2.65 -0.69 0.00 0.00 174.62 171.67 2c8o n PRO 70 N 2.91 1.76 -0.95 4.92 -0.02 -1.26 -2.06 135.00 140.29 2c8o n PRO 70 Ca 0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2c8o n PRO 70 Cb 0.35 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2c8o n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c8o n GLY 71 N 2.66 0.85 3.84 -1.23 0.00 -1.26 -5.01 105.19 105.04 2c8o n GLY 71 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2c8o n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c8o s SER 72 N -2.73 3.84 0.50 1.61 1.04 -0.88 -5.07 113.70 112.02 2c8o s SER 72 Ca 0.00 0.83 0.04 0.00 0.48 0.00 0.00 55.95 57.30 2c8o s SER 72 Cb 0.00 -1.32 -0.00 0.00 0.10 0.00 0.00 66.02 64.80 2c8o s SER 72 CO 0.00 -2.33 0.20 -0.13 0.98 0.00 0.00 173.24 171.96 2c8o s ARG 73 N -5.45 2.22 -0.39 4.02 1.81 -0.55 -4.99 118.95 115.62 2c8o s ARG 73 Ca 0.64 -2.12 0.10 0.00 -1.72 0.00 0.00 55.73 52.62 2c8o s ARG 73 Cb -0.12 -1.85 0.30 0.00 -0.45 0.00 0.00 34.95 32.83 2c8o s ARG 73 CO 0.51 -0.40 0.63 -1.71 -0.68 0.00 0.00 175.30 173.66 2c8o n ASN 74 N -1.44 0.60 0.24 0.23 5.15 -1.17 -3.67 115.26 115.19 2c8o n ASN 74 Ca -0.08 -2.87 0.11 0.00 -0.60 0.00 0.00 54.58 51.14 2c8o n ASN 74 Cb 0.65 -0.63 0.55 0.00 -0.53 0.00 0.00 39.78 39.82 2c8o n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2c8o h LEU 75 N 3.49 0.00 -0.26 1.20 3.38 -1.09 -0.44 115.31 121.59 2c8o h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2c8o h LEU 75 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2c8o h LEU 75 CO 0.49 0.19 -0.12 0.00 0.09 0.00 0.00 178.44 179.10 2c8o n ASN 77 N -0.91 -1.78 -3.89 0.00 4.13 -0.18 -4.98 115.26 107.65 2c8o n ASN 77 Ca 0.14 -0.85 -0.11 0.00 1.68 0.00 0.00 54.58 55.45 2c8o n ASN 77 Cb 0.28 -3.97 -0.10 0.00 -1.54 0.00 0.00 39.78 34.46 2c8o n ASN 77 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2c8o s ILE 78 N -3.66 0.10 0.32 2.41 -4.36 -1.26 -5.07 121.20 109.68 2c8o s ILE 78 Ca 0.07 -0.83 -0.29 0.00 -0.26 0.00 0.00 60.65 59.35 2c8o s ILE 78 Cb -0.02 -0.60 -0.10 0.00 1.25 0.00 0.00 42.46 42.99 2c8o s ILE 78 CO 0.82 -0.45 1.22 -2.16 0.24 0.00 0.00 174.94 174.61 2c8o s PRO 79 N -1.83 4.42 0.53 0.37 0.04 -1.26 -1.10 135.00 136.16 2c8o s PRO 79 Ca -0.11 2.04 0.21 0.00 0.04 0.00 0.00 61.00 63.18 2c8o s PRO 79 Cb -0.05 -3.07 1.34 0.00 0.04 0.00 0.00 34.50 32.76 2c8o s PRO 79 CO -0.01 -0.07 2.07 0.00 0.04 0.00 0.00 177.00 179.04 2c8o h SER 81 N 0.00 0.00 0.05 0.00 4.64 -1.91 -0.49 113.55 115.85 2c8o h SER 81 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2c8o h SER 81 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2c8o h SER 81 CO -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 2c8o h ALA 82 N 1.81 1.48 0.00 5.18 0.00 -1.51 -1.35 119.26 124.87 2c8o h ALA 82 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2c8o h ALA 82 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2c8o h ALA 82 CO -0.00 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2c8o n LEU 83 N -3.80 0.00 -0.49 0.00 4.77 -0.19 -3.25 117.00 114.05 2c8o n LEU 83 Ca -0.03 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 56.13 2c8o n LEU 83 Cb 0.10 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2c8o n LEU 83 CO 0.28 -0.01 0.36 0.18 -1.33 0.00 0.00 177.39 176.87 2c8o n LEU 84 N -1.10 1.94 -4.74 2.23 4.77 -0.51 -3.79 117.00 115.80 2c8o n LEU 84 Ca 0.19 -0.86 -0.36 0.00 -0.03 0.00 0.00 56.01 54.95 2c8o n LEU 84 Cb 0.14 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2c8o n LEU 84 CO 0.18 0.36 0.85 -0.55 -1.33 0.00 0.00 177.39 176.89 2c8o s SER 85 N -1.71 4.85 0.54 -1.43 0.15 -1.20 -4.13 113.70 110.77 2c8o s SER 85 Ca 0.16 2.43 0.24 0.00 0.70 0.00 0.00 55.95 59.48 2c8o s SER 85 Cb 0.13 -2.60 1.51 0.00 -1.71 0.00 0.00 66.02 63.36 2c8o s SER 85 CO 0.33 -1.83 2.15 0.77 1.20 0.00 0.00 173.24 175.86 2c8o h SER 86 N 0.55 0.00 -3.30 5.45 4.64 -1.94 -3.40 113.55 115.55 2c8o h SER 86 Ca -0.50 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.23 2c8o h SER 86 Cb 1.31 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.31 2c8o h SER 86 CO 0.54 0.06 0.58 -0.62 -0.87 0.00 0.00 176.83 176.51 2c8o s ASP 87 N -6.45 6.85 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.75 2c8o s ASP 87 Ca -0.04 0.99 0.21 0.00 -0.52 0.00 0.00 52.55 53.18 2c8o s ASP 87 Cb 0.15 -2.47 1.02 0.00 -1.46 0.00 0.00 42.92 40.16 2c8o s ASP 87 CO 0.60 -0.64 1.68 2.30 0.52 0.00 0.00 175.17 179.63 2c8o n ILE 88 N 5.47 0.08 -0.10 4.11 -5.35 -1.26 -4.37 119.36 117.93 2c8o n ILE 88 Ca 0.07 -0.14 -0.06 0.00 -0.27 0.00 0.00 62.75 62.36 2c8o n ILE 88 Cb 0.47 -0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.36 2c8o n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2c8o h THR 89 N 0.94 0.55 -0.49 7.28 2.02 -1.94 0.11 112.91 121.38 2c8o h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2c8o h THR 89 Cb 0.20 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2c8o h THR 89 CO 0.00 0.00 0.25 0.00 0.37 0.00 0.00 175.52 176.14 2c8o h ALA 90 N 1.24 0.63 -0.67 6.16 0.00 -1.84 0.09 119.26 124.87 2c8o h ALA 90 Ca 0.18 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2c8o h ALA 90 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2c8o h ALA 90 CO -0.40 0.18 0.44 0.77 0.00 0.00 0.00 179.25 180.24 2c8o h SER 91 N 0.65 0.76 -0.11 0.00 0.02 -1.68 -1.24 113.55 111.95 2c8o h SER 91 Ca 0.17 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2c8o h SER 91 Cb 0.09 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 2c8o h SER 91 CO -0.02 0.55 0.02 0.58 -1.14 0.00 0.00 176.83 176.82 2c8o h VAL 92 N 0.90 1.21 -0.89 2.27 2.07 -0.66 0.09 116.25 121.25 2c8o h VAL 92 Ca 0.25 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2c8o h VAL 92 Cb -0.10 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2c8o h VAL 92 CO -0.06 0.19 0.58 0.78 0.02 0.00 0.00 177.57 179.09 2c8o h ASN 93 N -0.05 1.03 -0.27 0.57 2.35 -0.89 -0.31 115.58 118.01 2c8o h ASN 93 Ca 0.03 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 2c8o h ASN 93 Cb 0.28 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 2c8o h ASN 93 CO 0.00 0.75 -0.40 0.00 -1.65 0.00 0.00 177.43 176.13 2c8o h ALA 95 N 0.67 1.64 -0.88 0.00 0.00 -0.55 -0.79 119.26 119.35 2c8o h ALA 95 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2c8o h ALA 95 Cb 1.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2c8o h ALA 95 CO 0.09 0.14 0.56 0.87 0.00 0.00 0.00 179.25 180.91 2c8o h LYS 96 N 0.88 1.17 -0.50 0.00 1.57 -0.94 -0.32 116.57 118.42 2c8o h LYS 96 Ca 0.45 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2c8o h LYS 96 Cb 0.50 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2c8o h LYS 96 CO -0.21 0.79 0.13 0.87 -0.57 0.00 0.00 179.45 180.47 2c8o h LYS 97 N 1.19 0.79 -0.04 3.15 1.57 -1.19 -2.70 116.57 119.35 2c8o h LYS 97 Ca 0.32 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2c8o h LYS 97 Cb -0.10 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 2c8o h LYS 97 CO -0.07 0.76 0.02 0.82 -0.57 0.00 0.00 179.45 180.41 2c8o h ILE 98 N 0.69 1.10 0.00 1.86 2.04 -0.76 -2.61 117.51 119.83 2c8o h ILE 98 Ca 0.16 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2c8o h ILE 98 Cb 0.31 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2c8o h ILE 98 CO -0.00 0.09 0.00 1.62 0.00 0.00 0.00 178.15 179.85 2c8o h VAL 99 N -0.07 0.00 -0.01 1.67 3.04 -1.08 -1.57 116.25 118.23 2c8o h VAL 99 Ca 0.01 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2c8o h VAL 99 Cb 0.12 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2c8o h VAL 99 CO -0.00 0.00 -0.06 -1.20 -1.01 0.00 0.00 177.57 175.30 2c8o n SER 100 N -2.43 1.34 0.14 3.17 7.64 -1.00 -3.82 113.62 118.66 2c8o n SER 100 Ca 0.01 -1.33 0.13 0.00 1.01 0.00 0.00 58.87 58.69 2c8o n SER 100 Cb 0.22 0.03 0.44 0.00 -1.01 0.00 0.00 64.21 63.89 2c8o n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2c8o h ASP 101 N 2.01 0.00 0.00 6.43 3.58 -1.15 -3.47 116.42 123.82 2c8o h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2c8o h ASP 101 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2c8o h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2c8o n GLY 102 N 0.68 3.81 1.20 -0.78 0.00 -1.26 -4.96 105.19 103.87 2c8o n GLY 102 Ca 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.47 2c8o n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2c8o n ASN 103 N 0.00 3.94 0.00 1.61 5.03 -1.26 -5.06 115.26 119.52 2c8o n ASN 103 Ca 0.00 -2.23 0.00 0.00 0.87 0.00 0.00 54.58 53.22 2c8o n ASN 103 Cb 0.00 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.31 2c8o n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2c8o n GLY 104 N 0.99 2.76 0.00 7.41 0.00 -1.25 -2.06 105.19 113.04 2c8o n GLY 104 Ca 0.21 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2c8o n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2c8o n MET 105 N 13.87 0.58 0.22 1.61 2.81 -1.26 -2.92 117.12 132.03 2c8o n MET 105 Ca 0.00 0.01 0.15 0.00 -1.81 0.00 0.00 57.70 56.05 2c8o n MET 105 Cb 0.00 -1.50 0.79 0.00 -0.71 0.00 0.00 33.22 31.80 2c8o n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2c8o h ASN 106 N 0.00 0.00 -0.31 7.83 2.35 -1.83 -1.35 115.58 122.26 2c8o h ASN 106 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2c8o h ASN 106 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2c8o h ASN 106 CO 0.00 0.00 0.22 0.00 -1.65 0.00 0.00 177.43 176.00 2c8o h ALA 107 N 2.01 2.21 -1.80 -0.83 0.00 -1.70 -3.33 119.26 115.82 2c8o h ALA 107 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 2c8o h ALA 107 Cb 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.66 2c8o h ALA 107 CO 0.00 -0.29 0.33 -1.58 0.00 0.00 0.00 179.25 177.71 2c8o s TRP 108 N -5.10 2.84 0.31 0.00 0.51 -0.51 -4.93 118.94 112.06 2c8o s TRP 108 Ca -0.05 -0.68 0.02 0.00 -2.12 0.00 0.00 56.10 53.27 2c8o s TRP 108 Cb 0.18 -4.10 0.60 0.00 -0.81 0.00 0.00 33.47 29.34 2c8o s TRP 108 CO 0.71 -1.44 1.89 0.28 -0.51 0.00 0.00 176.95 177.88 2c8o h VAL 109 N 5.95 0.99 -0.51 4.03 2.07 -1.83 -0.52 116.25 126.43 2c8o h VAL 109 Ca -0.29 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 2c8o h VAL 109 Cb 1.08 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2c8o h VAL 109 CO 1.13 0.17 0.16 0.00 0.02 0.00 0.00 177.57 179.05 2c8o h ALA 110 N 1.54 1.33 -0.08 1.67 0.00 -1.92 0.60 119.26 122.40 2c8o h ALA 110 Ca 0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2c8o h ALA 110 Cb 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2c8o h ALA 110 CO -0.18 0.49 0.04 2.35 0.00 0.00 0.00 179.25 181.94 2c8o h TRP 111 N 0.74 0.11 -0.66 0.00 7.01 -1.42 0.01 115.95 121.73 2c8o h TRP 111 Ca 0.17 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.21 2c8o h TRP 111 Cb 0.21 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 2c8o h TRP 111 CO 0.01 0.19 0.39 -0.09 -2.79 0.00 0.00 178.44 176.15 2c8o h ARG 112 N 0.00 0.71 0.00 2.65 2.43 -0.77 0.17 114.38 119.58 2c8o h ARG 112 Ca 0.03 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 2c8o h ARG 112 Cb 0.12 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2c8o h ARG 112 CO -0.00 0.47 -0.58 -0.91 -1.51 0.00 0.00 179.97 177.44 2c8o h ASN 113 N 0.73 0.00 0.00 -3.80 2.35 -0.82 -3.36 115.58 110.68 2c8o h ASN 113 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2c8o h ASN 113 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2c8o h ASN 113 CO -0.15 0.37 -0.39 0.54 -1.65 0.00 0.00 177.43 176.15 2c8o n ARG 114 N -3.11 3.10 -0.02 0.81 1.74 -0.02 -4.90 116.66 114.27 2c8o n ARG 114 Ca 0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 2c8o n ARG 114 Cb 0.70 -0.63 -0.02 0.00 -1.02 0.00 0.00 32.46 31.49 2c8o n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c8o n LYS 116 N -2.84 1.62 -0.18 0.00 4.81 0.41 -1.36 118.16 120.62 2c8o n LYS 116 Ca -0.07 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2c8o n LYS 116 Cb 0.56 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.30 2c8o n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c8o n GLY 117 N 3.51 2.28 3.96 3.14 0.00 -1.26 -4.97 105.19 111.85 2c8o n GLY 117 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 2c8o n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c8o s THR 118 N -3.06 2.25 -1.17 2.61 -4.23 -0.46 -4.95 115.64 106.62 2c8o s THR 118 Ca 0.00 -0.41 -0.18 0.00 -1.18 0.00 0.00 61.69 59.92 2c8o s THR 118 Cb 0.00 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 2c8o s THR 118 CO 0.00 0.00 2.04 -0.67 -0.54 0.00 0.00 174.62 175.45 2c8o n ASP 119 N -2.92 3.43 0.31 3.99 2.03 -1.26 -4.73 116.55 117.39 2c8o n ASP 119 Ca 0.12 -2.78 0.20 0.00 0.52 0.00 0.00 54.79 52.85 2c8o n ASP 119 Cb 0.60 -1.47 0.98 0.00 -0.72 0.00 0.00 41.12 40.50 2c8o n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2c8o h VAL 120 N 4.51 0.04 0.00 5.18 -1.51 -1.90 -2.33 116.25 120.24 2c8o h VAL 120 Ca 0.48 -0.24 -0.02 0.00 -1.23 0.00 0.00 66.70 65.69 2c8o h VAL 120 Cb 0.70 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2c8o h VAL 120 CO 1.82 0.01 -0.08 -0.61 -1.23 0.00 0.00 177.57 177.48 2c8o h GLN 121 N 0.00 0.00 -0.29 5.19 4.15 -1.88 -1.40 115.11 120.89 2c8o h GLN 121 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 2c8o h GLN 121 Cb 0.23 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2c8o h GLN 121 CO 0.00 0.08 0.27 0.00 -1.93 0.00 0.00 178.83 177.25 2c8o h ALA 122 N 1.92 2.03 0.00 3.38 0.00 -1.82 -1.33 119.26 123.45 2c8o h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c8o h ALA 122 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2c8o h ALA 122 CO 0.01 -0.42 0.00 -1.49 0.00 0.00 0.00 179.25 177.35 2c8o h TRP 123 N 0.00 0.00 -0.10 0.00 4.06 -1.47 -2.95 115.95 115.50 2c8o h TRP 123 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 2c8o h TRP 123 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 2c8o h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 2c8o n ILE 124 N -3.02 0.40 -1.82 1.49 -5.35 -0.54 -4.77 119.36 105.75 2c8o n ILE 124 Ca 0.01 -0.70 -0.42 0.00 -0.27 0.00 0.00 62.75 61.37 2c8o n ILE 124 Cb 0.32 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.08 2c8o n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2c8o s ARG 125 N -0.76 4.16 0.00 6.28 3.52 -0.98 -1.86 118.95 129.31 2c8o s ARG 125 Ca 0.11 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 2c8o s ARG 125 Cb 0.07 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.35 2c8o s ARG 125 CO 0.09 -0.68 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 2c8o n GLY 126 N 3.71 2.40 3.74 8.12 0.00 -1.26 -5.01 105.19 116.89 2c8o n GLY 126 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2c8o n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c8o s ARG 128 N -0.29 3.57 0.00 0.00 3.52 -1.26 -5.11 118.95 119.38 2c8o s ARG 128 Ca 0.48 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 2c8o s ARG 128 Cb -0.27 -4.00 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 2c8o s ARG 128 CO 0.33 -1.59 0.38 1.28 -0.81 0.00 0.00 175.30 174.89