#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m18 s VAL 2 N 0.00 4.95 0.45 3.15 1.01 -1.26 -1.34 120.40 127.36 3m18 s VAL 2 Ca 0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 3m18 s VAL 2 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 3m18 s VAL 2 CO 0.00 -0.09 1.05 -0.36 0.00 0.00 0.00 175.10 175.70 3m18 s PHE 3 N 1.65 3.09 0.62 5.22 0.40 -0.66 -5.01 117.98 123.30 3m18 s PHE 3 Ca 0.05 1.60 -0.10 0.00 -0.60 0.00 0.00 56.93 57.87 3m18 s PHE 3 Cb -0.18 -3.11 -0.03 0.00 0.51 0.00 0.00 43.02 40.21 3m18 s PHE 3 CO 0.08 -0.80 1.02 0.20 0.70 0.00 0.00 175.22 176.42 3m18 s GLY 4 N -1.77 1.64 0.10 4.36 0.00 -1.26 -4.85 107.32 105.54 3m18 s GLY 4 Ca 0.63 -0.19 -0.33 0.00 0.00 0.00 0.00 44.72 44.84 3m18 s GLY 4 CO 0.24 0.09 1.59 -0.09 0.00 0.00 0.00 173.10 174.93 3m18 h ARG 5 N -0.33 -0.78 -0.58 2.90 2.43 -1.97 0.04 114.38 116.09 3m18 h ARG 5 Ca -0.44 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 3m18 h ARG 5 Cb 1.20 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 3m18 h ARG 5 CO 0.62 -0.52 0.10 0.00 -1.51 0.00 0.00 179.97 178.66 3m18 h GLU 7 N 0.88 0.88 -0.03 0.00 4.81 -1.92 -1.30 114.58 117.90 3m18 h GLU 7 Ca 0.18 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 59.11 3m18 h GLU 7 Cb 0.38 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.57 3m18 h GLU 7 CO 0.01 0.58 -0.98 1.25 -0.73 0.00 0.00 179.01 179.14 3m18 h LEU 8 N 0.91 0.87 -0.64 1.64 5.85 -0.63 -2.17 115.31 121.15 3m18 h LEU 8 Ca 0.39 -0.67 0.08 0.00 0.84 0.00 0.00 57.88 58.51 3m18 h LEU 8 Cb 0.25 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3m18 h LEU 8 CO -0.20 1.47 0.31 0.00 -0.34 0.00 0.00 178.44 179.68 3m18 h ALA 9 N 0.48 0.86 -0.66 1.25 0.00 -0.93 0.07 119.26 120.33 3m18 h ALA 9 Ca -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3m18 h ALA 9 Cb 1.62 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 3m18 h ALA 9 CO 0.19 -0.07 0.37 0.00 0.00 0.00 0.00 179.25 179.74 3m18 h ALA 10 N 1.38 0.84 -0.37 0.00 0.00 -1.15 -0.77 119.26 119.19 3m18 h ALA 10 Ca 0.31 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3m18 h ALA 10 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m18 h ALA 10 CO -0.24 0.35 -0.23 0.00 0.00 0.00 0.00 179.25 179.13 3m18 h ALA 11 N 1.18 0.53 -0.33 0.00 0.00 -0.73 -1.37 119.26 118.54 3m18 h ALA 11 Ca 0.23 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3m18 h ALA 11 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3m18 h ALA 11 CO -0.04 0.52 -0.25 0.52 0.00 0.00 0.00 179.25 180.00 3m18 h MET 12 N 0.62 0.66 -0.38 0.00 2.86 -0.82 -1.99 114.93 115.88 3m18 h MET 12 Ca 0.08 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3m18 h MET 12 Cb 0.80 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 3m18 h MET 12 CO 0.07 0.85 0.11 -0.22 1.06 0.00 0.00 176.91 178.77 3m18 h LYS 13 N 0.58 0.59 -0.89 1.72 3.64 -0.97 -1.39 116.57 119.85 3m18 h LYS 13 Ca 0.08 -0.13 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 3m18 h LYS 13 Cb 0.73 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.39 3m18 h LYS 13 CO 0.06 0.61 0.54 -0.09 -2.27 0.00 0.00 179.45 178.29 3m18 h ARG 14 N 0.46 0.88 -0.33 1.90 2.43 -1.13 -2.45 114.38 116.14 3m18 h ARG 14 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3m18 h ARG 14 Cb 0.27 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3m18 h ARG 14 CO -0.00 0.58 0.00 0.72 -1.51 0.00 0.00 179.97 179.76 3m18 n HIS 15 N -4.67 0.36 -1.35 2.20 8.25 -0.76 -4.93 115.22 114.32 3m18 n HIS 15 Ca 0.15 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3m18 n HIS 15 Cb 0.27 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3m18 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m18 n GLY 16 N 0.75 0.41 0.16 -1.41 0.00 -0.92 -4.97 105.19 99.20 3m18 n GLY 16 Ca 0.08 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 45.19 3m18 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3m18 h LEU 17 N 0.00 0.00 -9.15 0.99 3.38 -1.47 -3.41 115.31 105.66 3m18 h LEU 17 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3m18 h LEU 17 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3m18 h LEU 17 CO 0.00 0.24 1.38 -0.67 0.09 0.00 0.00 178.44 179.48 3m18 n ASP 18 N -3.04 3.67 -0.09 -0.43 2.03 -1.26 -1.11 116.55 116.32 3m18 n ASP 18 Ca 0.01 0.51 -0.01 0.00 0.52 0.00 0.00 54.79 55.82 3m18 n ASP 18 Cb 0.64 -1.54 -0.00 0.00 -0.72 0.00 0.00 41.12 39.49 3m18 n ASP 18 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3m18 n ASN 19 N 9.88 -4.27 -4.67 1.67 4.05 -0.24 -4.86 115.26 116.81 3m18 n ASN 19 Ca 0.26 0.03 -0.42 0.00 0.45 0.00 0.00 54.58 54.89 3m18 n ASN 19 Cb 0.43 -1.87 -0.03 0.00 1.23 0.00 0.00 39.78 39.54 3m18 n ASN 19 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3m18 s TYR 20 N -1.66 1.94 -2.03 1.20 5.04 -0.27 -1.43 117.35 120.14 3m18 s TYR 20 Ca 0.00 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 3m18 s TYR 20 Cb 0.00 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.25 3m18 s TYR 20 CO 0.00 -4.50 0.00 0.54 -1.34 0.00 0.00 175.55 170.25 3m18 n ARG 21 N 6.56 -1.54 -0.43 4.97 5.12 -1.26 -1.64 116.66 128.45 3m18 n ARG 21 Ca 0.18 1.13 0.00 0.00 -1.93 0.00 0.00 57.85 57.23 3m18 n ARG 21 Cb 0.41 -5.62 0.00 0.00 -1.16 0.00 0.00 32.46 26.09 3m18 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3m18 n GLY 22 N -0.60 0.72 3.45 -0.13 0.00 -0.51 -5.04 105.19 103.06 3m18 n GLY 22 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3m18 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m18 s TYR 23 N -2.82 3.23 0.82 1.61 2.02 -0.65 -4.89 117.35 116.67 3m18 s TYR 23 Ca 0.00 -0.65 -0.14 0.00 -0.37 0.00 0.00 57.07 55.91 3m18 s TYR 23 Cb 0.00 -2.77 0.03 0.00 -0.40 0.00 0.00 41.96 38.82 3m18 s TYR 23 CO 0.00 -0.66 0.74 -1.13 -1.57 0.00 0.00 175.55 172.93 3m18 n SER 24 N 5.23 -0.63 -0.29 2.29 3.41 -1.26 -1.08 113.62 121.29 3m18 n SER 24 Ca -0.11 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.13 3m18 n SER 24 Cb 0.46 -1.32 0.27 0.00 -0.26 0.00 0.00 64.21 63.36 3m18 n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3m18 h LEU 25 N -0.92 0.03 -1.19 1.04 5.85 -1.89 -1.32 115.31 116.91 3m18 h LEU 25 Ca -0.45 0.18 0.18 0.00 0.84 0.00 0.00 57.88 58.63 3m18 h LEU 25 Cb 1.31 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 42.50 3m18 h LEU 25 CO 0.41 -0.12 0.61 1.23 -0.34 0.00 0.00 178.44 180.23 3m18 h GLY 26 N 0.24 1.42 0.86 3.75 0.00 -1.91 -1.70 103.07 105.73 3m18 h GLY 26 Ca 0.52 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.58 3m18 h GLY 26 CO -0.62 0.01 0.66 3.43 0.00 0.00 0.00 176.54 180.02 3m18 h ASN 27 N 0.69 1.09 0.17 0.19 4.21 -1.48 -1.41 115.58 119.04 3m18 h ASN 27 Ca 0.52 -0.01 -0.28 0.00 1.21 0.00 0.00 56.30 57.74 3m18 h ASN 27 Cb 0.89 -0.25 0.02 0.00 -1.12 0.00 0.00 38.32 37.87 3m18 h ASN 27 CO -0.28 0.74 -1.15 -0.50 -1.29 0.00 0.00 177.43 174.96 3m18 h TRP 28 N 1.26 0.92 0.29 1.19 4.06 -1.40 -0.72 115.95 121.54 3m18 h TRP 28 Ca 0.40 -0.55 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 3m18 h TRP 28 Cb 0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.10 3m18 h TRP 28 CO -0.00 1.39 -0.14 0.28 -3.56 0.00 0.00 178.44 176.41 3m18 h VAL 29 N 0.29 0.75 -0.54 1.49 2.07 -1.23 -1.82 116.25 117.26 3m18 h VAL 29 Ca -0.15 -0.45 0.09 0.00 0.82 0.00 0.00 66.70 67.02 3m18 h VAL 29 Cb 1.81 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 32.50 3m18 h VAL 29 CO 0.22 0.09 0.11 0.00 0.02 0.00 0.00 177.57 178.01 3m18 h ALA 31 N 1.42 -0.00 -0.76 0.00 0.00 -1.09 -1.58 119.26 117.24 3m18 h ALA 31 Ca 0.27 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.29 3m18 h ALA 31 Cb 0.38 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3m18 h ALA 31 CO -0.35 -0.58 0.50 0.00 0.00 0.00 0.00 179.25 178.82 3m18 h ALA 32 N 0.98 1.52 0.05 0.00 0.00 -0.74 0.14 119.26 121.22 3m18 h ALA 32 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m18 h ALA 32 Cb 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3m18 h ALA 32 CO -0.30 0.42 -0.03 -0.22 0.00 0.00 0.00 179.25 179.12 3m18 h LYS 33 N 0.97 -0.07 0.00 0.00 1.63 -0.46 -0.84 116.57 117.80 3m18 h LYS 33 Ca 0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 3m18 h LYS 33 Cb -0.01 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3m18 h LYS 33 CO -0.08 0.06 -0.66 0.74 -3.45 0.00 0.00 179.45 176.07 3m18 h PHE 34 N -0.19 0.00 0.07 1.91 0.04 -1.03 -0.16 116.94 117.58 3m18 h PHE 34 Ca -0.01 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.60 3m18 h PHE 34 Cb 0.16 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.33 3m18 h PHE 34 CO -0.04 0.00 -0.69 0.93 -0.60 0.00 0.00 178.31 177.92 3m18 h GLU 35 N 0.00 0.34 0.00 1.51 4.39 -0.98 -3.43 114.58 116.41 3m18 h GLU 35 Ca 0.00 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3m18 h GLU 35 Cb 0.99 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3m18 h GLU 35 CO 0.00 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 3m18 n SER 36 N -4.19 0.38 -3.35 1.42 3.41 -0.35 -4.88 113.62 106.07 3m18 n SER 36 Ca -0.12 -1.00 -0.24 0.00 -0.26 0.00 0.00 58.87 57.24 3m18 n SER 36 Cb 0.74 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.73 3m18 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3m18 n ASN 37 N -0.00 -5.66 -1.09 4.04 5.15 -0.07 -1.51 115.26 116.12 3m18 n ASN 37 Ca 0.00 -0.44 -0.14 0.00 -0.60 0.00 0.00 54.58 53.40 3m18 n ASN 37 Cb 0.16 -4.54 -0.06 0.00 -0.53 0.00 0.00 39.78 34.80 3m18 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3m18 n PHE 38 N -4.59 0.00 -3.40 1.20 3.72 -1.07 -4.85 117.46 108.48 3m18 n PHE 38 Ca -0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.93 3m18 n PHE 38 Cb 0.58 -2.79 -0.09 0.00 -0.94 0.00 0.00 39.48 36.23 3m18 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3m18 s ASN 39 N -2.63 6.15 0.56 4.37 3.84 -0.57 -1.65 114.94 125.01 3m18 s ASN 39 Ca 0.00 -0.81 0.34 0.00 0.21 0.00 0.00 52.86 52.60 3m18 s ASN 39 Cb 0.00 -2.19 1.86 0.00 -0.55 0.00 0.00 41.25 40.38 3m18 s ASN 39 CO 0.00 -0.51 2.04 0.71 -2.79 0.00 0.00 177.10 176.55 3m18 h THR 40 N 5.67 0.00 -0.04 -5.21 1.35 -1.53 -2.89 112.91 110.27 3m18 h THR 40 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3m18 h THR 40 Cb 1.12 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3m18 h THR 40 CO 0.76 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 3m18 n GLN 41 N -2.77 1.34 -1.76 4.72 6.02 -1.26 -3.87 117.38 119.80 3m18 n GLN 41 Ca -0.02 -1.51 -0.41 0.00 -0.01 0.00 0.00 57.00 55.04 3m18 n GLN 41 Cb 0.13 -1.32 -0.01 0.00 1.02 0.00 0.00 30.24 30.07 3m18 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m18 n ALA 42 N 0.92 2.50 -2.28 -1.58 0.00 -1.09 -4.74 120.51 114.24 3m18 n ALA 42 Ca 0.10 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 3m18 n ALA 42 Cb 0.41 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.31 3m18 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3m18 s THR 43 N -0.47 0.85 -0.10 0.00 -4.23 -1.26 -0.68 115.64 109.75 3m18 s THR 43 Ca 0.59 -1.87 -0.04 0.00 -1.18 0.00 0.00 61.69 59.20 3m18 s THR 43 Cb -0.48 -1.61 0.05 0.00 1.34 0.00 0.00 72.50 71.80 3m18 s THR 43 CO 0.55 -0.76 0.19 0.20 -0.54 0.00 0.00 174.62 174.26 3m18 s ASN 44 N -2.89 0.40 0.34 3.99 0.01 -0.75 -4.98 114.94 111.06 3m18 s ASN 44 Ca 0.11 0.42 -0.27 0.00 -0.71 0.00 0.00 52.86 52.40 3m18 s ASN 44 Cb 0.02 0.39 -0.09 0.00 0.41 0.00 0.00 41.25 41.98 3m18 s ASN 44 CO -0.02 -0.22 1.13 -0.13 -1.51 0.00 0.00 177.10 176.35 3m18 s ARG 45 N 2.04 4.38 0.29 -0.60 1.81 -1.26 -0.59 118.95 125.02 3m18 s ARG 45 Ca -0.01 1.81 0.08 0.00 -1.72 0.00 0.00 55.73 55.89 3m18 s ARG 45 Cb -0.12 -2.93 -0.04 0.00 -0.45 0.00 0.00 34.95 31.41 3m18 s ARG 45 CO -0.07 -0.03 0.16 -0.80 -0.68 0.00 0.00 175.30 173.89 3m18 s ASN 46 N -1.02 5.07 0.27 0.23 0.01 -0.10 -4.96 114.94 114.45 3m18 s ASN 46 Ca 0.50 -0.51 -0.01 0.00 -0.71 0.00 0.00 52.86 52.14 3m18 s ASN 46 Cb -0.31 -1.03 0.48 0.00 0.41 0.00 0.00 41.25 40.80 3m18 s ASN 46 CO 0.39 -0.16 1.86 0.74 -1.51 0.00 0.00 177.10 178.42 3m18 h THR 47 N 1.53 1.00 0.00 1.60 2.02 -1.98 -2.00 112.91 115.08 3m18 h THR 47 Ca -0.46 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3m18 h THR 47 Cb 1.25 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3m18 h THR 47 CO 0.61 0.20 0.00 -0.90 0.37 0.00 0.00 175.52 175.79 3m18 n ASP 48 N -4.57 0.00 0.00 4.18 5.75 -1.26 -4.83 116.55 115.82 3m18 n ASP 48 Ca 0.17 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 3m18 n ASP 48 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3m18 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m18 n GLY 49 N 0.48 1.05 3.84 6.12 0.00 -0.75 -4.73 105.19 111.19 3m18 n GLY 49 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3m18 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m18 s SER 50 N -3.06 3.66 0.01 1.61 1.04 -1.26 -4.60 113.70 111.10 3m18 s SER 50 Ca 0.00 0.77 0.02 0.00 0.48 0.00 0.00 55.95 57.22 3m18 s SER 50 Cb 0.00 -1.21 -0.01 0.00 0.10 0.00 0.00 66.02 64.90 3m18 s SER 50 CO 0.00 -2.44 -0.06 -0.89 0.98 0.00 0.00 173.24 170.83 3m18 s THR 51 N -3.47 0.45 -0.18 2.02 2.01 -1.26 -0.92 115.64 114.28 3m18 s THR 51 Ca 0.65 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 3m18 s THR 51 Cb -0.11 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 3m18 s THR 51 CO 0.52 -0.03 0.20 -1.81 -0.69 0.00 0.00 174.62 172.80 3m18 s ASP 52 N -0.56 6.31 -0.14 3.53 1.11 0.25 -0.59 116.67 126.58 3m18 s ASP 52 Ca -0.02 0.35 0.02 0.00 0.18 0.00 0.00 52.55 53.08 3m18 s ASP 52 Cb -0.04 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 41.82 3m18 s ASP 52 CO -0.00 0.15 -0.20 -0.31 1.18 0.00 0.00 175.17 175.99 3m18 s TYR 53 N 0.39 2.70 0.00 4.23 2.02 0.23 -1.81 117.35 125.11 3m18 s TYR 53 Ca 0.12 -1.18 0.00 0.00 -0.37 0.00 0.00 57.07 55.64 3m18 s TYR 53 Cb -0.12 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 3m18 s TYR 53 CO 0.01 -0.53 0.00 0.41 -1.57 0.00 0.00 175.55 173.87 3m18 n GLY 54 N 3.97 -1.72 0.22 0.71 0.00 0.14 -1.26 105.19 107.24 3m18 n GLY 54 Ca -0.19 -1.57 0.07 0.00 0.00 0.00 0.00 46.02 44.33 3m18 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3m18 h ILE 55 N 0.00 0.90 -0.14 -0.61 2.10 -1.67 -1.18 117.51 116.91 3m18 h ILE 55 Ca 0.00 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 64.90 3m18 h ILE 55 Cb 0.00 1.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 3m18 h ILE 55 CO 0.00 0.26 0.00 0.18 -1.08 0.00 0.00 178.15 177.51 3m18 n LEU 56 N -3.80 2.96 -3.71 2.19 4.77 -1.26 -4.13 117.00 114.03 3m18 n LEU 56 Ca -0.01 -2.83 -0.22 0.00 -0.03 0.00 0.00 56.01 52.92 3m18 n LEU 56 Cb 0.36 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3m18 n LEU 56 CO 0.35 0.67 -0.08 0.00 -1.33 0.00 0.00 177.39 177.01 3m18 n GLN 57 N -0.78 -4.67 -2.77 3.23 1.13 -0.45 -4.90 117.38 108.18 3m18 n GLN 57 Ca 0.16 0.61 -0.41 0.00 -1.94 0.00 0.00 57.00 55.41 3m18 n GLN 57 Cb 0.67 -5.12 -0.04 0.00 0.11 0.00 0.00 30.24 25.86 3m18 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3m18 s ILE 58 N -3.68 4.83 0.34 5.09 1.01 -0.39 -4.25 121.20 124.15 3m18 s ILE 58 Ca 0.02 1.96 -0.12 0.00 0.00 0.00 0.00 60.65 62.51 3m18 s ILE 58 Cb -0.01 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 38.11 3m18 s ILE 58 CO 0.82 0.21 0.72 0.54 0.00 0.00 0.00 174.94 177.22 3m18 s ASN 59 N 0.78 6.65 0.00 3.58 2.20 -1.26 -0.60 114.94 126.29 3m18 s ASN 59 Ca 0.49 1.15 0.29 0.00 -0.94 0.00 0.00 52.86 53.85 3m18 s ASN 59 Cb -0.21 -2.32 1.24 0.00 -2.00 0.00 0.00 41.25 37.96 3m18 s ASN 59 CO 0.27 -0.26 1.85 -1.54 -2.94 0.00 0.00 177.10 174.48 3m18 n SER 60 N -0.70 1.03 -0.02 3.54 3.41 0.24 -2.16 113.62 118.95 3m18 n SER 60 Ca 0.02 -1.25 -0.12 0.00 -0.26 0.00 0.00 58.87 57.26 3m18 n SER 60 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 3m18 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3m18 h ARG 61 N 1.56 -0.04 0.00 4.33 9.65 -1.83 -3.42 114.38 124.63 3m18 h ARG 61 Ca 0.00 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.58 3m18 h ARG 61 Cb 0.37 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.91 3m18 h ARG 61 CO 0.00 0.61 -2.15 0.91 2.80 0.00 0.00 179.97 182.15 3m18 n TRP 62 N -4.77 0.00 -0.08 2.20 7.02 -1.25 -1.05 117.44 119.51 3m18 n TRP 62 Ca -0.09 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.27 3m18 n TRP 62 Cb 0.33 -0.81 -0.07 0.00 -2.42 0.00 0.00 31.31 28.35 3m18 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3m18 n TRP 63 N -2.75 0.00 -4.29 -5.99 7.02 -0.92 -0.17 117.44 110.34 3m18 n TRP 63 Ca -0.30 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.01 3m18 n TRP 63 Cb 1.00 -0.58 -0.10 0.00 -2.42 0.00 0.00 31.31 29.20 3m18 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3m18 s ASN 65 N -3.01 6.26 0.00 0.00 2.47 0.01 -4.41 114.94 116.27 3m18 s ASN 65 Ca 0.17 0.19 0.14 0.00 0.42 0.00 0.00 52.86 53.77 3m18 s ASN 65 Cb -0.01 -2.22 0.23 0.00 -1.45 0.00 0.00 41.25 37.79 3m18 s ASN 65 CO 0.04 -0.25 1.10 -0.90 -3.72 0.00 0.00 177.10 173.37 3m18 n ASP 66 N 5.41 2.59 0.00 -4.21 5.68 -1.26 -0.97 116.55 123.78 3m18 n ASP 66 Ca -0.08 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 3m18 n ASP 66 Cb 0.50 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 3m18 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m18 n GLY 67 N 0.79 0.29 0.09 6.12 0.00 -1.26 -4.74 105.19 106.48 3m18 n GLY 67 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 3m18 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3m18 n ARG 68 N -1.16 0.58 -3.92 1.61 1.85 -1.26 -5.06 116.66 109.29 3m18 n ARG 68 Ca 0.00 -0.87 -0.35 0.00 -1.00 0.00 0.00 57.85 55.63 3m18 n ARG 68 Cb 0.20 -0.64 -0.14 0.00 -1.05 0.00 0.00 32.46 30.83 3m18 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3m18 s THR 69 N -0.32 3.08 0.27 8.89 2.01 -1.26 -4.87 115.64 123.44 3m18 s THR 69 Ca 0.02 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 60.78 3m18 s THR 69 Cb 0.01 -2.56 -0.12 0.00 0.01 0.00 0.00 72.50 69.85 3m18 s THR 69 CO 0.00 0.20 1.59 -2.65 -0.69 0.00 0.00 174.62 173.07 3m18 n PRO 70 N 4.71 2.62 -3.24 4.92 -0.02 -1.26 -3.18 135.00 139.54 3m18 n PRO 70 Ca -0.16 0.93 -0.23 0.00 -2.02 0.00 0.00 63.50 62.02 3m18 n PRO 70 Cb 0.47 -2.71 0.03 0.00 -0.02 0.00 0.00 33.50 31.28 3m18 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m18 n GLY 71 N 2.42 -0.52 3.78 -1.23 0.00 -1.26 -4.96 105.19 103.42 3m18 n GLY 71 Ca 0.10 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 3m18 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m18 s SER 72 N -2.84 6.55 -0.01 1.61 1.04 -1.19 -4.86 113.70 114.00 3m18 s SER 72 Ca 0.39 2.06 0.08 0.00 0.48 0.00 0.00 55.95 58.96 3m18 s SER 72 Cb -0.18 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.25 3m18 s SER 72 CO 0.48 -0.64 0.26 0.54 0.98 0.00 0.00 173.24 174.87 3m18 n ARG 73 N -0.35 2.30 -4.15 4.02 5.12 -0.21 -5.01 116.66 118.38 3m18 n ARG 73 Ca 0.06 -0.04 -0.37 0.00 -1.93 0.00 0.00 57.85 55.57 3m18 n ARG 73 Cb 0.50 -1.04 -0.03 0.00 -1.16 0.00 0.00 32.46 30.73 3m18 n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3m18 n ASN 74 N -1.49 -1.64 0.27 0.55 5.15 -1.03 -4.82 115.26 112.25 3m18 n ASN 74 Ca 0.00 -1.25 0.17 0.00 -0.60 0.00 0.00 54.58 52.90 3m18 n ASN 74 Cb 0.17 -1.87 0.67 0.00 -0.53 0.00 0.00 39.78 38.22 3m18 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3m18 h LEU 75 N -2.16 0.00 -0.08 1.20 3.38 -0.47 -2.02 115.31 115.16 3m18 h LEU 75 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 3m18 h LEU 75 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3m18 h LEU 75 CO 0.61 0.02 -0.24 0.00 0.09 0.00 0.00 178.44 178.92 3m18 n ASN 77 N -1.33 -5.19 -3.65 0.00 4.13 -0.76 -5.01 115.26 103.44 3m18 n ASN 77 Ca 0.08 -0.82 -0.10 0.00 1.68 0.00 0.00 54.58 55.42 3m18 n ASN 77 Cb 0.32 -4.45 -0.08 0.00 -1.54 0.00 0.00 39.78 34.03 3m18 n ASN 77 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3m18 s ILE 78 N -3.45 -0.00 0.42 2.41 1.10 -1.26 -5.07 121.20 115.35 3m18 s ILE 78 Ca 0.38 0.01 -0.26 0.00 -0.51 0.00 0.00 60.65 60.27 3m18 s ILE 78 Cb -0.08 -0.91 -0.09 0.00 0.15 0.00 0.00 42.46 41.52 3m18 s ILE 78 CO 0.79 0.00 1.38 -2.16 -2.11 0.00 0.00 174.94 172.85 3m18 s PRO 79 N 1.06 3.87 0.41 3.50 0.04 -1.26 -0.81 135.00 141.80 3m18 s PRO 79 Ca -0.06 2.33 0.15 0.00 0.04 0.00 0.00 61.00 63.47 3m18 s PRO 79 Cb -0.05 -2.75 0.88 0.00 0.04 0.00 0.00 34.50 32.62 3m18 s PRO 79 CO -0.10 -0.64 1.90 0.00 0.04 0.00 0.00 177.00 178.20 3m18 h SER 81 N 0.00 0.24 0.73 0.00 4.64 -1.91 0.17 113.55 117.42 3m18 h SER 81 Ca -0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3m18 h SER 81 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3m18 h SER 81 CO 0.04 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 3m18 h ALA 82 N 1.60 1.00 -0.37 5.18 0.00 -1.70 -1.87 119.26 123.10 3m18 h ALA 82 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3m18 h ALA 82 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3m18 h ALA 82 CO -0.11 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.42 3m18 n LEU 83 N -2.96 2.31 -0.79 0.00 4.77 0.59 -3.71 117.00 117.21 3m18 n LEU 83 Ca -0.00 -1.09 0.08 0.00 -0.03 0.00 0.00 56.01 54.97 3m18 n LEU 83 Cb 0.24 -0.24 0.14 0.00 -2.33 0.00 0.00 43.42 41.23 3m18 n LEU 83 CO 0.24 0.55 0.60 0.18 -1.33 0.00 0.00 177.39 177.62 3m18 n LEU 84 N 0.75 2.85 -4.80 2.23 4.77 -0.70 -4.14 117.00 117.96 3m18 n LEU 84 Ca 0.16 -1.50 -0.31 0.00 -0.03 0.00 0.00 56.01 54.33 3m18 n LEU 84 Cb 0.39 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3m18 n LEU 84 CO 0.12 0.63 0.70 -0.94 -1.33 0.00 0.00 177.39 176.57 3m18 s SER 85 N -1.17 4.90 0.39 -1.43 1.04 -1.24 -4.48 113.70 111.70 3m18 s SER 85 Ca 0.26 1.64 0.21 0.00 0.48 0.00 0.00 55.95 58.54 3m18 s SER 85 Cb 0.15 -2.43 0.58 0.00 0.10 0.00 0.00 66.02 64.42 3m18 s SER 85 CO 0.22 -1.76 1.68 0.28 0.98 0.00 0.00 173.24 174.64 3m18 h SER 86 N -0.94 0.00 -3.31 7.02 0.02 -1.94 -3.42 113.55 110.99 3m18 h SER 86 Ca -0.44 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 59.94 3m18 h SER 86 Cb 1.23 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.72 3m18 h SER 86 CO 0.55 0.30 0.41 -0.62 -1.14 0.00 0.00 176.83 176.34 3m18 s ASP 87 N -6.29 7.10 0.00 3.07 -1.08 -1.26 -4.95 116.67 113.26 3m18 s ASP 87 Ca 0.02 1.35 0.28 0.00 -0.52 0.00 0.00 52.55 53.69 3m18 s ASP 87 Cb 0.09 -2.50 1.08 0.00 -1.46 0.00 0.00 42.92 40.14 3m18 s ASP 87 CO 0.68 -0.36 1.76 2.30 0.52 0.00 0.00 175.17 180.07 3m18 n ILE 88 N 4.46 0.00 -0.19 4.11 -5.35 -1.26 -4.43 119.36 116.69 3m18 n ILE 88 Ca 0.05 -0.22 -0.09 0.00 -0.27 0.00 0.00 62.75 62.22 3m18 n ILE 88 Cb 0.49 0.42 -0.04 0.00 -1.74 0.00 0.00 39.64 38.78 3m18 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3m18 h THR 89 N 2.11 0.08 -0.77 7.28 2.02 -1.95 -1.02 112.91 120.65 3m18 h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3m18 h THR 89 Cb 0.47 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 3m18 h THR 89 CO 0.00 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.34 3m18 h ALA 90 N 0.56 0.99 -0.56 6.16 0.00 -1.85 0.13 119.26 124.69 3m18 h ALA 90 Ca 0.17 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3m18 h ALA 90 Cb 0.57 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3m18 h ALA 90 CO -0.67 0.47 0.01 0.77 0.00 0.00 0.00 179.25 179.83 3m18 h SER 91 N 1.06 0.96 0.01 0.00 0.02 -1.70 -1.15 113.55 112.76 3m18 h SER 91 Ca 0.28 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3m18 h SER 91 Cb -0.01 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 3m18 h SER 91 CO -0.05 1.03 -0.03 0.58 -1.14 0.00 0.00 176.83 177.23 3m18 h VAL 92 N 0.87 0.93 -0.62 2.27 2.07 -0.94 0.37 116.25 121.21 3m18 h VAL 92 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.74 3m18 h VAL 92 Cb 0.53 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3m18 h VAL 92 CO 0.03 0.00 0.41 0.78 0.02 0.00 0.00 177.57 178.81 3m18 h ASN 93 N -0.06 0.54 0.29 0.57 2.35 -0.61 -0.90 115.58 117.77 3m18 h ASN 93 Ca 0.01 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 3m18 h ASN 93 Cb 0.06 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 38.34 3m18 h ASN 93 CO -0.02 0.36 -1.55 0.00 -1.65 0.00 0.00 177.43 174.56 3m18 h ALA 95 N 0.21 1.94 -0.79 0.00 0.00 0.11 -0.83 119.26 119.90 3m18 h ALA 95 Ca -0.27 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3m18 h ALA 95 Cb 2.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 3m18 h ALA 95 CO 0.23 -0.15 0.31 0.87 0.00 0.00 0.00 179.25 180.50 3m18 h LYS 96 N 0.58 1.19 -0.38 0.00 1.57 -1.18 -1.16 116.57 117.19 3m18 h LYS 96 Ca 0.41 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3m18 h LYS 96 Cb 0.74 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3m18 h LYS 96 CO -0.16 0.97 0.10 0.87 -0.57 0.00 0.00 179.45 180.66 3m18 h LYS 97 N 1.15 0.60 0.02 3.15 1.57 -1.20 -2.80 116.57 119.06 3m18 h LYS 97 Ca 0.26 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3m18 h LYS 97 Cb 0.23 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3m18 h LYS 97 CO -0.02 0.63 -0.02 0.82 -0.57 0.00 0.00 179.45 180.29 3m18 h ILE 98 N 0.46 0.95 0.00 1.86 2.04 -0.99 -2.50 117.51 119.34 3m18 h ILE 98 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 3m18 h ILE 98 Cb 0.29 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3m18 h ILE 98 CO -0.00 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.70 3m18 n VAL 99 N -5.12 0.91 1.04 1.67 3.14 -0.46 -1.51 118.33 118.00 3m18 n VAL 99 Ca -0.07 0.27 0.12 0.00 -2.96 0.00 0.00 64.34 61.70 3m18 n VAL 99 Cb 0.05 -1.16 0.23 0.00 -1.06 0.00 0.00 33.84 31.90 3m18 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3m18 n SER 100 N -2.04 0.67 0.00 6.55 7.64 -0.96 -4.00 113.62 121.47 3m18 n SER 100 Ca 0.02 -0.46 0.15 0.00 1.01 0.00 0.00 58.87 59.59 3m18 n SER 100 Cb 0.20 0.31 0.86 0.00 -1.01 0.00 0.00 64.21 64.57 3m18 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3m18 n ASP 101 N -1.32 0.00 0.00 6.43 2.03 -0.57 -4.87 116.55 118.25 3m18 n ASP 101 Ca 0.07 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.51 3m18 n ASP 101 Cb 0.34 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 3m18 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3m18 n GLY 102 N 0.86 3.55 1.05 0.27 0.00 -1.26 -4.96 105.19 104.69 3m18 n GLY 102 Ca 0.21 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.50 3m18 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m18 n ASN 103 N 0.00 3.10 0.00 1.61 4.13 -1.26 -5.05 115.26 117.78 3m18 n ASN 103 Ca 0.00 -1.95 0.00 0.00 1.68 0.00 0.00 54.58 54.31 3m18 n ASN 103 Cb 0.00 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 37.94 3m18 n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m18 n GLY 104 N 1.44 2.76 0.29 7.41 0.00 -1.26 -2.24 105.19 113.59 3m18 n GLY 104 Ca 0.19 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.91 3m18 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3m18 n MET 105 N 13.70 1.37 0.32 1.61 2.81 -1.26 -4.11 117.12 131.56 3m18 n MET 105 Ca 0.00 -0.57 0.20 0.00 -1.81 0.00 0.00 57.70 55.52 3m18 n MET 105 Cb 0.00 -1.27 1.04 0.00 -0.71 0.00 0.00 33.22 32.28 3m18 n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3m18 h ASN 106 N 1.07 0.00 -0.88 7.83 4.21 -1.87 -1.51 115.58 124.43 3m18 h ASN 106 Ca 0.00 0.00 0.18 0.00 1.21 0.00 0.00 56.30 57.69 3m18 h ASN 106 Cb 0.24 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.37 3m18 h ASN 106 CO 0.00 0.01 0.58 0.00 -1.29 0.00 0.00 177.43 176.73 3m18 h ALA 107 N 1.99 2.07 -1.72 -0.83 0.00 -1.80 -3.38 119.26 115.59 3m18 h ALA 107 Ca -0.00 0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.30 3m18 h ALA 107 Cb 0.16 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.75 3m18 h ALA 107 CO 0.00 -0.34 0.52 -1.58 0.00 0.00 0.00 179.25 177.85 3m18 s TRP 108 N -5.51 2.72 0.19 0.00 0.51 -0.57 -4.91 118.94 111.38 3m18 s TRP 108 Ca -0.09 -0.39 -0.09 0.00 -2.12 0.00 0.00 56.10 53.41 3m18 s TRP 108 Cb 0.22 -4.19 0.11 0.00 -0.81 0.00 0.00 33.47 28.81 3m18 s TRP 108 CO 0.78 -1.53 1.71 0.28 -0.51 0.00 0.00 176.95 177.68 3m18 h VAL 109 N 5.98 1.26 -0.04 4.03 2.07 -1.86 -0.90 116.25 126.79 3m18 h VAL 109 Ca -0.28 -0.95 -0.23 0.00 0.82 0.00 0.00 66.70 66.06 3m18 h VAL 109 Cb 1.07 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3m18 h VAL 109 CO 1.14 0.37 -0.90 0.00 0.02 0.00 0.00 177.57 178.20 3m18 h ALA 110 N 1.08 0.34 -0.54 1.67 0.00 -1.91 0.31 119.26 120.21 3m18 h ALA 110 Ca 0.22 -0.67 0.11 0.00 0.00 0.00 0.00 54.91 54.57 3m18 h ALA 110 Cb 0.36 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 3m18 h ALA 110 CO 0.00 0.75 0.03 2.35 0.00 0.00 0.00 179.25 182.38 3m18 h TRP 111 N 0.34 0.01 -0.56 0.00 7.01 -1.80 0.14 115.95 121.09 3m18 h TRP 111 Ca -0.08 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.89 3m18 h TRP 111 Cb 1.53 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 28.64 3m18 h TRP 111 CO 0.07 -0.11 0.08 -0.09 -2.79 0.00 0.00 178.44 175.60 3m18 h ARG 112 N 0.14 0.94 0.08 2.65 2.43 -0.88 0.18 114.38 119.93 3m18 h ARG 112 Ca 0.28 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3m18 h ARG 112 Cb 0.43 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3m18 h ARG 112 CO -0.44 0.91 -0.04 -0.97 -1.51 0.00 0.00 179.97 177.93 3m18 h ASN 113 N 0.83 -0.09 0.00 -3.80 -0.73 -0.69 -3.38 115.58 107.72 3m18 h ASN 113 Ca 0.17 -0.21 -0.08 0.00 1.87 0.00 0.00 56.30 58.04 3m18 h ASN 113 Cb 0.44 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 3m18 h ASN 113 CO 0.01 0.17 -1.63 -1.14 -0.37 0.00 0.00 177.43 174.47 3m18 n ARG 114 N -5.02 1.13 -0.09 6.67 3.00 0.45 -4.83 116.66 117.97 3m18 n ARG 114 Ca -0.08 -0.07 -0.14 0.00 -0.00 0.00 0.00 57.85 57.56 3m18 n ARG 114 Cb 0.17 -1.28 -0.07 0.00 0.00 0.00 0.00 32.46 31.27 3m18 n ARG 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3m18 n LYS 116 N -3.26 1.48 -0.75 0.00 4.81 0.34 -1.28 118.16 119.50 3m18 n LYS 116 Ca -0.32 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3m18 n LYS 116 Cb 0.80 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.57 3m18 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m18 n GLY 117 N 4.16 0.75 4.02 3.14 0.00 -1.26 -5.01 105.19 110.99 3m18 n GLY 117 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.07 3m18 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m18 s THR 118 N -2.73 2.25 -1.11 2.61 -4.23 -0.41 -4.99 115.64 107.03 3m18 s THR 118 Ca 0.00 -1.04 -0.20 0.00 -1.18 0.00 0.00 61.69 59.27 3m18 s THR 118 Cb 0.00 -2.28 -0.06 0.00 1.34 0.00 0.00 72.50 71.49 3m18 s THR 118 CO 0.00 0.00 1.95 -0.67 -0.54 0.00 0.00 174.62 175.36 3m18 n ASP 119 N -2.14 3.36 0.23 3.99 2.03 -1.26 -4.77 116.55 117.99 3m18 n ASP 119 Ca 0.13 -2.76 0.10 0.00 0.52 0.00 0.00 54.79 52.78 3m18 n ASP 119 Cb 0.61 -1.50 0.56 0.00 -0.72 0.00 0.00 41.12 40.07 3m18 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3m18 h VAL 120 N 5.05 0.69 0.00 5.18 -1.51 -1.90 -2.59 116.25 121.17 3m18 h VAL 120 Ca 0.40 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3m18 h VAL 120 Cb 0.77 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3m18 h VAL 120 CO 1.65 0.21 0.08 -0.61 -1.23 0.00 0.00 177.57 177.67 3m18 h GLN 121 N 0.00 0.00 -0.21 5.19 4.15 -1.87 0.15 115.11 122.53 3m18 h GLN 121 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 3m18 h GLN 121 Cb 0.55 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 3m18 h GLN 121 CO 0.03 0.00 0.19 0.00 -1.93 0.00 0.00 178.83 177.12 3m18 h ALA 122 N 1.82 1.94 0.00 3.38 0.00 -1.86 -2.21 119.26 122.33 3m18 h ALA 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m18 h ALA 122 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3m18 h ALA 122 CO 0.00 -0.30 0.00 -1.49 0.00 0.00 0.00 179.25 177.46 3m18 h TRP 123 N 0.00 0.00 -0.20 0.00 4.06 -1.19 -2.96 115.95 115.66 3m18 h TRP 123 Ca 0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.05 3m18 h TRP 123 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 3m18 h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 3m18 n ILE 124 N -2.57 0.58 -2.63 1.49 -5.35 -0.85 -4.82 119.36 105.21 3m18 n ILE 124 Ca 0.03 -0.79 -0.35 0.00 -0.27 0.00 0.00 62.75 61.37 3m18 n ILE 124 Cb 0.37 0.81 -0.05 0.00 -1.74 0.00 0.00 39.64 39.02 3m18 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3m18 s ARG 125 N -0.95 4.14 0.00 6.28 0.52 -1.10 -2.95 118.95 124.89 3m18 s ARG 125 Ca 0.18 1.37 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 3m18 s ARG 125 Cb 0.10 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.18 3m18 s ARG 125 CO 0.14 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.74 3m18 n GLY 126 N 0.02 2.41 0.40 -3.53 0.00 -1.26 -5.05 105.19 98.18 3m18 n GLY 126 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3m18 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32