#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri8 s VAL 2 N 0.00 3.45 0.56 3.15 1.01 -1.26 -0.48 120.40 126.83 1ri8 s VAL 2 Ca 0.00 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 60.60 1ri8 s VAL 2 Cb 0.00 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1ri8 s VAL 2 CO 0.00 -0.12 1.07 -0.36 0.00 0.00 0.00 175.10 175.69 1ri8 s PHE 3 N 1.35 2.90 0.49 5.22 0.40 0.02 -4.99 117.98 123.37 1ri8 s PHE 3 Ca -0.03 1.54 -0.07 0.00 -0.60 0.00 0.00 56.93 57.77 1ri8 s PHE 3 Cb -0.19 -3.09 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 1ri8 s PHE 3 CO 0.01 -1.16 0.82 0.20 0.70 0.00 0.00 175.22 175.80 1ri8 s GLY 4 N -2.33 1.59 0.11 4.36 0.00 -1.26 -4.84 107.32 104.95 1ri8 s GLY 4 Ca 0.67 -0.39 -0.28 0.00 0.00 0.00 0.00 44.72 44.71 1ri8 s GLY 4 CO 0.30 -0.21 1.63 -0.09 0.00 0.00 0.00 173.10 174.74 1ri8 h ARG 5 N 0.31 -0.52 0.00 2.90 2.43 -1.96 -0.96 114.38 116.57 1ri8 h ARG 5 Ca -0.47 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1ri8 h ARG 5 Cb 1.20 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1ri8 h ARG 5 CO 0.62 -0.35 -0.48 0.00 -1.51 0.00 0.00 179.97 178.25 1ri8 h GLU 7 N 0.00 0.52 -0.48 0.00 4.81 -1.90 -0.75 114.58 116.78 1ri8 h GLU 7 Ca -0.00 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 1ri8 h GLU 7 Cb 0.88 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1ri8 h GLU 7 CO 0.06 0.49 -0.19 1.25 -0.73 0.00 0.00 179.01 179.89 1ri8 h LEU 8 N 0.43 1.01 -0.74 1.64 5.85 -0.95 -1.82 115.31 120.72 1ri8 h LEU 8 Ca 0.12 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1ri8 h LEU 8 Cb 0.15 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1ri8 h LEU 8 CO -0.01 1.17 0.44 0.00 -0.34 0.00 0.00 178.44 179.70 1ri8 h ALA 9 N 0.87 1.00 -0.39 1.25 0.00 -0.94 0.20 119.26 121.25 1ri8 h ALA 9 Ca 0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ri8 h ALA 9 Cb 0.77 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ri8 h ALA 9 CO 0.06 0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.63 1ri8 h ALA 10 N 1.36 0.51 -0.48 0.00 0.00 -0.94 -1.52 119.26 118.19 1ri8 h ALA 10 Ca 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ri8 h ALA 10 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ri8 h ALA 10 CO -0.16 0.13 0.20 0.00 0.00 0.00 0.00 179.25 179.42 1ri8 h ALA 11 N 0.99 0.62 -0.46 0.00 0.00 -0.62 -1.08 119.26 118.72 1ri8 h ALA 11 Ca 0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ri8 h ALA 11 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ri8 h ALA 11 CO -0.01 0.22 0.00 0.52 0.00 0.00 0.00 179.25 179.98 1ri8 h MET 12 N 0.63 0.75 -0.44 0.00 2.86 -0.53 -0.25 114.93 117.95 1ri8 h MET 12 Ca 0.16 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1ri8 h MET 12 Cb 0.18 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1ri8 h MET 12 CO -0.01 0.76 -0.03 -0.22 1.06 0.00 0.00 176.91 178.46 1ri8 h LYS 13 N 0.70 0.80 -0.12 1.72 3.64 -1.02 -1.89 116.57 120.39 1ri8 h LYS 13 Ca 0.14 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1ri8 h LYS 13 Cb 0.43 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1ri8 h LYS 13 CO 0.02 0.88 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.94 1ri8 h ARG 14 N 0.64 0.18 -0.15 1.90 2.43 -0.82 -0.95 114.38 117.61 1ri8 h ARG 14 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ri8 h ARG 14 Cb 0.54 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1ri8 h ARG 14 CO 0.03 0.25 0.00 0.72 -1.51 0.00 0.00 179.97 179.46 1ri8 n HIS 15 N -4.37 0.20 -1.54 2.20 8.25 -0.14 -4.92 115.22 114.89 1ri8 n HIS 15 Ca -0.01 -0.10 -0.07 0.00 -0.26 0.00 0.00 57.72 57.28 1ri8 n HIS 15 Cb 0.19 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 1ri8 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ri8 n GLY 16 N 0.78 0.60 0.08 -1.41 0.00 -0.36 -4.96 105.19 99.92 1ri8 n GLY 16 Ca 0.07 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.51 1ri8 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ri8 h LEU 17 N 0.00 0.00 -9.08 0.99 3.38 -1.54 -3.41 115.31 105.65 1ri8 h LEU 17 Ca -0.15 -0.14 -0.56 0.00 0.09 0.00 0.00 57.88 57.12 1ri8 h LEU 17 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ri8 h LEU 17 CO 0.20 0.07 1.18 -0.62 0.09 0.00 0.00 178.44 179.36 1ri8 s ASP 18 N -4.40 6.29 0.00 -0.43 2.15 -1.26 -1.72 116.67 117.30 1ri8 s ASP 18 Ca 0.07 1.80 0.00 0.00 0.43 0.00 0.00 52.55 54.85 1ri8 s ASP 18 Cb 0.13 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1ri8 s ASP 18 CO 0.68 -1.30 0.00 -3.20 -0.17 0.00 0.00 175.17 171.18 1ri8 n ASN 19 N 8.67 -3.08 -4.70 -0.34 4.05 0.13 -4.86 115.26 115.13 1ri8 n ASN 19 Ca 0.20 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.81 1ri8 n ASN 19 Cb 0.45 -0.91 -0.03 0.00 1.23 0.00 0.00 39.78 40.51 1ri8 n ASN 19 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1ri8 s TYR 20 N -2.03 2.61 -2.15 1.20 5.04 -0.70 -0.63 117.35 120.69 1ri8 s TYR 20 Ca 0.00 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 1ri8 s TYR 20 Cb 0.00 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 38.37 1ri8 s TYR 20 CO 0.00 -3.66 0.00 0.54 -1.34 0.00 0.00 175.55 171.09 1ri8 n ARG 21 N 5.15 -1.48 -0.83 4.97 5.12 -1.26 -1.66 116.66 126.66 1ri8 n ARG 21 Ca 0.15 1.20 0.00 0.00 -1.93 0.00 0.00 57.85 57.27 1ri8 n ARG 21 Cb 0.40 -5.62 0.00 0.00 -1.16 0.00 0.00 32.46 26.08 1ri8 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ri8 n GLY 22 N -0.46 0.68 3.52 -0.13 0.00 0.20 -5.03 105.19 103.97 1ri8 n GLY 22 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1ri8 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ri8 s TYR 23 N -2.49 3.20 0.87 1.61 2.02 -0.67 -4.86 117.35 117.03 1ri8 s TYR 23 Ca 0.00 -0.17 -0.12 0.00 -0.37 0.00 0.00 57.07 56.41 1ri8 s TYR 23 Cb 0.00 -2.74 0.10 0.00 -0.40 0.00 0.00 41.96 38.92 1ri8 s TYR 23 CO 0.00 -0.53 1.03 -1.13 -1.57 0.00 0.00 175.55 173.35 1ri8 n SER 24 N 5.44 0.17 -0.31 2.29 3.41 -1.26 -0.69 113.62 122.67 1ri8 n SER 24 Ca -0.09 0.48 0.14 0.00 -0.26 0.00 0.00 58.87 59.14 1ri8 n SER 24 Cb 0.49 -1.44 0.37 0.00 -0.26 0.00 0.00 64.21 63.37 1ri8 n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ri8 h LEU 25 N -1.39 0.68 -1.71 1.04 5.85 -1.89 -0.79 115.31 117.10 1ri8 h LEU 25 Ca -0.44 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1ri8 h LEU 25 Cb 1.29 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1ri8 h LEU 25 CO 0.42 0.28 0.27 1.23 -0.34 0.00 0.00 178.44 180.30 1ri8 h GLY 26 N 0.68 0.43 1.01 3.75 0.00 -1.90 -1.64 103.07 105.40 1ri8 h GLY 26 Ca 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1ri8 h GLY 26 CO -0.28 0.12 0.39 3.43 0.00 0.00 0.00 176.54 180.20 1ri8 h ASN 27 N 0.37 0.91 -0.14 0.19 2.35 -1.35 -0.26 115.58 117.64 1ri8 h ASN 27 Ca 0.17 -0.10 -0.17 0.00 -0.55 0.00 0.00 56.30 55.64 1ri8 h ASN 27 Cb 0.21 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1ri8 h ASN 27 CO -0.04 0.75 -0.54 -0.50 -1.65 0.00 0.00 177.43 175.44 1ri8 h TRP 28 N 1.00 0.92 -0.29 1.19 4.06 -1.36 -0.24 115.95 121.21 1ri8 h TRP 28 Ca 0.25 -0.32 -0.13 0.00 2.06 0.00 0.00 58.89 60.75 1ri8 h TRP 28 Cb 0.05 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.03 1ri8 h TRP 28 CO -0.00 1.11 -0.30 0.28 -3.56 0.00 0.00 178.44 175.96 1ri8 h VAL 29 N 0.56 1.30 -0.67 1.49 2.07 -1.30 -1.62 116.25 118.08 1ri8 h VAL 29 Ca 0.01 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1ri8 h VAL 29 Cb 1.12 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1ri8 h VAL 29 CO 0.11 0.47 0.33 0.00 0.02 0.00 0.00 177.57 178.51 1ri8 h ALA 31 N 1.15 -0.12 -0.85 0.00 0.00 -0.86 -1.99 119.26 116.59 1ri8 h ALA 31 Ca 0.23 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1ri8 h ALA 31 Cb 0.11 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1ri8 h ALA 31 CO -0.03 -0.62 0.56 0.00 0.00 0.00 0.00 179.25 179.16 1ri8 h ALA 32 N 0.78 1.45 0.04 0.00 0.00 -0.96 0.21 119.26 120.78 1ri8 h ALA 32 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ri8 h ALA 32 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ri8 h ALA 32 CO -0.17 0.48 -0.07 -0.22 0.00 0.00 0.00 179.25 179.27 1ri8 h LYS 33 N 1.08 -0.13 0.00 0.00 1.63 -0.51 -1.26 116.57 117.38 1ri8 h LYS 33 Ca 0.33 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 60.08 1ri8 h LYS 33 Cb -0.01 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1ri8 h LYS 33 CO -0.09 -0.09 -0.66 0.74 -3.45 0.00 0.00 179.45 175.90 1ri8 h PHE 34 N -0.13 0.00 0.05 1.91 0.04 -1.12 -0.92 116.94 116.78 1ri8 h PHE 34 Ca 0.01 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1ri8 h PHE 34 Cb 0.14 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.30 1ri8 h PHE 34 CO -0.12 0.27 -0.40 0.93 -0.60 0.00 0.00 178.31 178.39 1ri8 h GLU 35 N 0.00 0.18 0.00 1.51 4.39 -0.57 -3.42 114.58 116.66 1ri8 h GLU 35 Ca -0.03 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1ri8 h GLU 35 Cb 1.23 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1ri8 h GLU 35 CO 0.03 1.08 0.00 -1.13 -1.16 0.00 0.00 179.01 177.83 1ri8 n SER 36 N -4.38 0.56 -2.90 1.42 3.41 -0.55 -4.82 113.62 106.36 1ri8 n SER 36 Ca -0.11 -0.95 -0.22 0.00 -0.26 0.00 0.00 58.87 57.32 1ri8 n SER 36 Cb 0.63 0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1ri8 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ri8 n ASN 37 N -0.04 -6.14 -0.86 4.04 5.15 -0.35 -1.91 115.26 115.14 1ri8 n ASN 37 Ca 0.00 -0.24 -0.11 0.00 -0.60 0.00 0.00 54.58 53.63 1ri8 n ASN 37 Cb 0.09 -4.99 -0.05 0.00 -0.53 0.00 0.00 39.78 34.31 1ri8 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ri8 n PHE 38 N -4.44 0.00 -3.42 1.20 3.72 -1.09 -4.85 117.46 108.58 1ri8 n PHE 38 Ca -0.14 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.86 1ri8 n PHE 38 Cb 0.63 -2.38 -0.09 0.00 -0.94 0.00 0.00 39.48 36.70 1ri8 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ri8 s ASN 39 N -2.61 6.18 0.45 4.37 3.84 -0.80 -0.80 114.94 125.57 1ri8 s ASN 39 Ca 0.00 -0.10 0.31 0.00 0.21 0.00 0.00 52.86 53.28 1ri8 s ASN 39 Cb 0.00 -2.19 1.43 0.00 -0.55 0.00 0.00 41.25 39.94 1ri8 s ASN 39 CO 0.00 -0.28 1.92 0.71 -2.79 0.00 0.00 177.10 176.67 1ri8 h THR 40 N 5.49 0.00 -0.20 -5.21 1.35 -1.10 -2.71 112.91 110.52 1ri8 h THR 40 Ca -0.31 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1ri8 h THR 40 Cb 1.15 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1ri8 h THR 40 CO 0.67 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.94 1ri8 n GLN 41 N -2.68 2.36 -1.70 4.72 6.02 -1.26 -3.97 117.38 120.87 1ri8 n GLN 41 Ca -0.00 -2.08 -0.44 0.00 -0.01 0.00 0.00 57.00 54.47 1ri8 n GLN 41 Cb 0.19 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 1ri8 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ri8 n ALA 42 N 1.39 1.68 -3.32 -1.58 0.00 -1.02 -4.75 120.51 112.91 1ri8 n ALA 42 Ca 0.16 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.87 1ri8 n ALA 42 Cb 0.59 -2.35 -0.14 0.00 0.00 0.00 0.00 19.45 17.55 1ri8 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ri8 s THR 43 N 0.08 -0.03 -0.03 0.00 -4.23 -1.26 -0.86 115.64 109.31 1ri8 s THR 43 Ca 0.68 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 61.30 1ri8 s THR 43 Cb -0.59 -0.11 0.01 0.00 1.34 0.00 0.00 72.50 73.14 1ri8 s THR 43 CO 0.48 0.04 -0.06 0.20 -0.54 0.00 0.00 174.62 174.73 1ri8 s ASN 44 N 0.55 0.95 0.10 3.99 0.01 -0.76 -4.98 114.94 114.78 1ri8 s ASN 44 Ca -0.04 -0.14 -0.09 0.00 -0.71 0.00 0.00 52.86 51.87 1ri8 s ASN 44 Cb -0.06 -0.30 -0.06 0.00 0.41 0.00 0.00 41.25 41.24 1ri8 s ASN 44 CO -0.02 0.02 0.41 -0.13 -1.51 0.00 0.00 177.10 175.87 1ri8 s ARG 45 N 0.37 3.75 0.12 -0.60 1.81 -1.26 -0.89 118.95 122.25 1ri8 s ARG 45 Ca -0.05 0.15 0.08 0.00 -1.72 0.00 0.00 55.73 54.19 1ri8 s ARG 45 Cb -0.09 -2.96 -0.04 0.00 -0.45 0.00 0.00 34.95 31.41 1ri8 s ARG 45 CO 0.00 0.54 -0.13 -0.80 -0.68 0.00 0.00 175.30 174.22 1ri8 s ASN 46 N -1.87 4.17 0.35 0.23 0.01 -0.44 -4.98 114.94 112.40 1ri8 s ASN 46 Ca 0.35 -0.48 0.26 0.00 -0.71 0.00 0.00 52.86 52.28 1ri8 s ASN 46 Cb -0.14 -0.70 1.20 0.00 0.41 0.00 0.00 41.25 42.02 1ri8 s ASN 46 CO 0.19 0.17 1.79 0.71 -1.51 0.00 0.00 177.10 178.45 1ri8 h THR 47 N 3.32 0.00 -0.05 1.60 1.35 -1.99 -1.31 112.91 115.83 1ri8 h THR 47 Ca -0.49 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1ri8 h THR 47 Cb 1.17 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1ri8 h THR 47 CO 0.50 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.87 1ri8 n ASP 48 N -2.44 0.41 0.00 5.36 5.68 -1.26 -4.88 116.55 119.41 1ri8 n ASP 48 Ca 0.01 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 1ri8 n ASP 48 Cb 0.18 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1ri8 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ri8 n GLY 49 N 0.80 1.15 3.96 6.12 0.00 -0.49 -5.00 105.19 111.73 1ri8 n GLY 49 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1ri8 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ri8 s SER 50 N -2.87 4.95 0.01 1.61 1.04 -1.25 -4.68 113.70 112.51 1ri8 s SER 50 Ca 0.00 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1ri8 s SER 50 Cb 0.00 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 65.34 1ri8 s SER 50 CO 0.00 -1.42 -0.06 -0.89 0.98 0.00 0.00 173.24 171.85 1ri8 s THR 51 N -2.97 0.48 -0.13 2.02 2.01 -1.26 -1.33 115.64 114.46 1ri8 s THR 51 Ca 0.60 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 1ri8 s THR 51 Cb -0.09 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1ri8 s THR 51 CO 0.41 -0.02 0.07 -1.81 -0.69 0.00 0.00 174.62 172.58 1ri8 s ASP 52 N -0.55 5.74 -0.04 3.53 1.01 -0.06 -1.05 116.67 125.24 1ri8 s ASP 52 Ca -0.01 0.23 0.05 0.00 0.71 0.00 0.00 52.55 53.52 1ri8 s ASP 52 Cb -0.04 -1.82 -0.00 0.00 1.01 0.00 0.00 42.92 42.06 1ri8 s ASP 52 CO -0.00 0.32 -0.18 -0.31 0.21 0.00 0.00 175.17 175.21 1ri8 s TYR 53 N -0.53 1.81 0.00 4.23 2.02 -0.16 -1.83 117.35 122.89 1ri8 s TYR 53 Ca 0.11 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1ri8 s TYR 53 Cb -0.12 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.23 1ri8 s TYR 53 CO 0.02 -0.17 0.00 0.41 -1.57 0.00 0.00 175.55 174.24 1ri8 n GLY 54 N 3.09 -2.22 0.41 0.71 0.00 -0.04 -1.69 105.19 105.44 1ri8 n GLY 54 Ca -0.18 -1.61 0.21 0.00 0.00 0.00 0.00 46.02 44.45 1ri8 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ri8 h ILE 55 N 0.00 0.66 -0.12 -0.61 6.09 -1.69 -1.07 117.51 120.77 1ri8 h ILE 55 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 1ri8 h ILE 55 Cb 0.00 0.33 0.00 0.00 0.47 0.00 0.00 36.82 37.62 1ri8 h ILE 55 CO 0.00 0.05 0.00 0.18 -3.07 0.00 0.00 178.15 175.31 1ri8 n LEU 56 N -4.45 2.82 -4.01 2.19 4.77 -1.26 -4.15 117.00 112.91 1ri8 n LEU 56 Ca 0.18 -2.72 -0.31 0.00 -0.03 0.00 0.00 56.01 53.13 1ri8 n LEU 56 Cb 0.74 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1ri8 n LEU 56 CO 0.33 0.66 -0.25 0.00 -1.33 0.00 0.00 177.39 176.80 1ri8 n GLN 57 N -0.73 -1.91 -2.44 3.23 1.13 -0.41 -4.88 117.38 111.38 1ri8 n GLN 57 Ca 0.14 0.29 -0.41 0.00 -1.94 0.00 0.00 57.00 55.08 1ri8 n GLN 57 Cb 0.61 -3.92 -0.04 0.00 0.11 0.00 0.00 30.24 27.01 1ri8 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ri8 s ILE 58 N -3.90 3.76 0.14 5.09 1.01 -0.68 -4.27 121.20 122.34 1ri8 s ILE 58 Ca 0.16 1.46 -0.30 0.00 0.00 0.00 0.00 60.65 61.98 1ri8 s ILE 58 Cb -0.07 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.39 1ri8 s ILE 58 CO 0.92 0.23 0.99 0.21 0.00 0.00 0.00 174.94 177.29 1ri8 s ASN 59 N 0.15 7.47 0.00 3.58 3.84 -1.26 -0.99 114.94 127.73 1ri8 s ASN 59 Ca 0.52 1.88 0.25 0.00 0.21 0.00 0.00 52.86 55.72 1ri8 s ASN 59 Cb -0.31 -2.59 1.22 0.00 -0.55 0.00 0.00 41.25 39.02 1ri8 s ASN 59 CO 0.35 -0.07 1.82 -1.54 -2.79 0.00 0.00 177.10 174.88 1ri8 n SER 60 N 2.51 0.00 0.06 -4.21 3.41 -0.22 -1.38 113.62 113.80 1ri8 n SER 60 Ca 0.02 0.03 -0.18 0.00 -0.26 0.00 0.00 58.87 58.47 1ri8 n SER 60 Cb 0.48 -0.32 -0.14 0.00 -0.26 0.00 0.00 64.21 63.97 1ri8 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ri8 h ARG 61 N 0.00 0.28 0.00 4.33 2.43 -1.84 -3.42 114.38 116.16 1ri8 h ARG 61 Ca 0.00 -0.47 -0.21 0.00 -0.81 0.00 0.00 59.98 58.49 1ri8 h ARG 61 Cb 0.26 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1ri8 h ARG 61 CO 0.00 1.15 -1.78 0.91 -1.51 0.00 0.00 179.97 178.74 1ri8 n TRP 62 N -3.47 0.00 -0.10 2.20 7.02 -1.22 -1.45 117.44 120.41 1ri8 n TRP 62 Ca -0.18 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.18 1ri8 n TRP 62 Cb 1.05 -0.54 -0.14 0.00 -2.42 0.00 0.00 31.31 29.26 1ri8 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ri8 n TRP 63 N -2.74 0.00 -4.14 -5.99 7.02 -0.48 -0.23 117.44 110.87 1ri8 n TRP 63 Ca -0.22 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.16 1ri8 n TRP 63 Cb 0.80 -0.95 -0.10 0.00 -2.42 0.00 0.00 31.31 28.64 1ri8 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ri8 s ASN 65 N -3.01 5.53 0.00 0.00 3.04 -0.39 -4.45 114.94 115.66 1ri8 s ASN 65 Ca 0.11 -0.11 0.08 0.00 0.04 0.00 0.00 52.86 52.98 1ri8 s ASN 65 Cb 0.06 -2.01 0.15 0.00 -1.54 0.00 0.00 41.25 37.92 1ri8 s ASN 65 CO -0.06 -0.03 1.00 -0.90 -3.04 0.00 0.00 177.10 174.07 1ri8 n ASP 66 N 4.90 2.24 0.00 -4.21 5.68 -1.26 -1.35 116.55 122.55 1ri8 n ASP 66 Ca -0.15 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 1ri8 n ASP 66 Cb 0.52 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1ri8 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ri8 n GLY 67 N 0.35 0.22 0.24 6.12 0.00 -1.26 -4.77 105.19 106.08 1ri8 n GLY 67 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1ri8 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ri8 n ARG 68 N -0.83 0.63 -4.03 1.61 1.85 -1.26 -5.02 116.66 109.61 1ri8 n ARG 68 Ca 0.00 -1.33 -0.32 0.00 -1.00 0.00 0.00 57.85 55.19 1ri8 n ARG 68 Cb 0.23 -0.79 -0.15 0.00 -1.05 0.00 0.00 32.46 30.70 1ri8 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ri8 s THR 69 N -0.80 2.35 0.57 8.89 2.01 -1.26 -4.96 115.64 122.44 1ri8 s THR 69 Ca 0.08 -1.76 -0.21 0.00 0.31 0.00 0.00 61.69 60.11 1ri8 s THR 69 Cb 0.07 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1ri8 s THR 69 CO 0.01 -0.18 1.33 -2.16 -0.69 0.00 0.00 174.62 172.93 1ri8 s PRO 70 N 1.08 3.01 -0.38 4.92 0.04 -1.26 -2.88 135.00 139.53 1ri8 s PRO 70 Ca -0.04 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1ri8 s PRO 70 Cb -0.20 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1ri8 s PRO 70 CO -0.05 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1ri8 n GLY 71 N 0.75 0.36 3.74 0.56 0.00 -1.26 -4.96 105.19 104.39 1ri8 n GLY 71 Ca 0.12 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1ri8 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ri8 s SER 72 N -2.86 6.90 -0.07 1.61 0.15 -1.14 -4.78 113.70 113.52 1ri8 s SER 72 Ca 0.00 2.42 0.08 0.00 0.70 0.00 0.00 55.95 59.15 1ri8 s SER 72 Cb 0.00 -2.61 -0.12 0.00 -1.71 0.00 0.00 66.02 61.58 1ri8 s SER 72 CO 0.00 -0.51 0.08 0.54 1.20 0.00 0.00 173.24 174.55 1ri8 n ARG 73 N 2.43 1.90 -3.96 5.44 3.00 -0.53 -5.02 116.66 119.92 1ri8 n ARG 73 Ca 0.05 -0.03 -0.36 0.00 -0.01 0.00 0.00 57.85 57.50 1ri8 n ARG 73 Cb 0.43 -1.23 0.01 0.00 0.00 0.00 0.00 32.46 31.67 1ri8 n ARG 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ri8 n ASN 74 N -2.18 -3.17 0.25 0.55 4.05 -1.04 -4.86 115.26 108.86 1ri8 n ASN 74 Ca -0.11 -1.16 0.12 0.00 0.45 0.00 0.00 54.58 53.89 1ri8 n ASN 74 Cb 0.63 -2.45 0.64 0.00 1.23 0.00 0.00 39.78 39.82 1ri8 n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1ri8 h LEU 75 N -2.16 0.00 -0.34 1.20 3.38 -0.61 -1.20 115.31 115.58 1ri8 h LEU 75 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1ri8 h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1ri8 h LEU 75 CO 0.55 0.16 -0.18 0.00 0.09 0.00 0.00 178.44 179.06 1ri8 n ASN 77 N -0.84 -3.91 -3.77 0.00 5.15 -0.45 -5.00 115.26 106.44 1ri8 n ASN 77 Ca 0.13 -0.84 -0.10 0.00 -0.60 0.00 0.00 54.58 53.17 1ri8 n ASN 77 Cb 0.31 -4.20 -0.07 0.00 -0.53 0.00 0.00 39.78 35.29 1ri8 n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ri8 s ILE 78 N -3.52 0.10 0.36 -1.44 -4.36 -1.26 -5.07 121.20 106.00 1ri8 s ILE 78 Ca 0.27 -0.84 -0.25 0.00 -0.26 0.00 0.00 60.65 59.57 1ri8 s ILE 78 Cb -0.07 -1.13 -0.10 0.00 1.25 0.00 0.00 42.46 42.41 1ri8 s ILE 78 CO 0.80 -0.47 0.95 -2.16 0.24 0.00 0.00 174.94 174.31 1ri8 s PRO 79 N -3.31 4.47 0.61 0.37 0.04 -1.26 -1.27 135.00 134.66 1ri8 s PRO 79 Ca 0.00 1.28 0.35 0.00 0.04 0.00 0.00 61.00 62.68 1ri8 s PRO 79 Cb 0.02 -2.62 2.01 0.00 0.04 0.00 0.00 34.50 33.94 1ri8 s PRO 79 CO -0.08 0.18 2.28 0.00 0.04 0.00 0.00 177.00 179.41 1ri8 h SER 81 N 0.00 0.00 0.36 0.00 4.64 -1.91 -1.20 113.55 115.43 1ri8 h SER 81 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1ri8 h SER 81 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ri8 h SER 81 CO 0.00 0.04 -0.09 0.00 -0.87 0.00 0.00 176.83 175.91 1ri8 h ALA 82 N 1.96 1.26 -0.03 5.18 0.00 -1.65 -1.90 119.26 124.07 1ri8 h ALA 82 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ri8 h ALA 82 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ri8 h ALA 82 CO 0.01 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1ri8 n LEU 83 N -3.56 0.85 -1.16 0.00 4.77 -0.45 -3.79 117.00 113.66 1ri8 n LEU 83 Ca -0.02 -0.31 0.09 0.00 -0.03 0.00 0.00 56.01 55.74 1ri8 n LEU 83 Cb 0.22 -0.02 0.28 0.00 -2.33 0.00 0.00 43.42 41.57 1ri8 n LEU 83 CO 0.29 0.15 0.74 0.18 -1.33 0.00 0.00 177.39 177.42 1ri8 n LEU 84 N -0.30 3.93 -4.86 2.23 4.77 -0.71 -3.86 117.00 118.19 1ri8 n LEU 84 Ca 0.20 -2.30 -0.31 0.00 -0.03 0.00 0.00 56.01 53.56 1ri8 n LEU 84 Cb 0.24 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1ri8 n LEU 84 CO 0.16 0.80 0.72 -0.55 -1.33 0.00 0.00 177.39 177.19 1ri8 s SER 85 N -1.10 6.19 0.53 -1.43 0.15 -1.25 -4.51 113.70 112.28 1ri8 s SER 85 Ca 0.41 1.45 0.32 0.00 0.70 0.00 0.00 55.95 58.82 1ri8 s SER 85 Cb 0.25 -2.48 1.20 0.00 -1.71 0.00 0.00 66.02 63.29 1ri8 s SER 85 CO 0.21 -0.90 1.93 0.28 1.20 0.00 0.00 173.24 175.96 1ri8 h SER 86 N -0.26 0.00 -3.45 5.45 0.02 -1.95 -3.40 113.55 109.96 1ri8 h SER 86 Ca -0.44 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.90 1ri8 h SER 86 Cb 1.19 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.62 1ri8 h SER 86 CO 0.62 0.01 0.21 -0.62 -1.14 0.00 0.00 176.83 175.91 1ri8 s ASP 87 N -5.79 6.61 0.00 3.07 2.15 -1.26 -4.96 116.67 116.49 1ri8 s ASP 87 Ca 0.02 0.75 0.22 0.00 0.43 0.00 0.00 52.55 53.97 1ri8 s ASP 87 Cb 0.08 -2.35 1.18 0.00 -0.30 0.00 0.00 42.92 41.54 1ri8 s ASP 87 CO 0.57 -0.40 1.78 2.30 -0.17 0.00 0.00 175.17 179.25 1ri8 n ILE 88 N 5.21 0.04 -0.11 4.11 -5.35 -1.26 -4.38 119.36 117.61 1ri8 n ILE 88 Ca 0.00 -0.08 -0.06 0.00 -0.27 0.00 0.00 62.75 62.34 1ri8 n ILE 88 Cb 0.49 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 1ri8 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ri8 h THR 89 N 0.59 0.34 -0.74 7.28 2.02 -1.94 0.31 112.91 120.76 1ri8 h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1ri8 h THR 89 Cb 0.13 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1ri8 h THR 89 CO 0.00 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.30 1ri8 h ALA 90 N 0.99 0.95 -0.63 6.16 0.00 -1.84 -0.21 119.26 124.67 1ri8 h ALA 90 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ri8 h ALA 90 Cb 0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ri8 h ALA 90 CO -0.50 0.46 0.12 0.77 0.00 0.00 0.00 179.25 180.09 1ri8 h SER 91 N 1.02 1.00 -0.22 0.00 0.02 -1.64 -1.78 113.55 111.94 1ri8 h SER 91 Ca 0.26 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1ri8 h SER 91 Cb 0.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1ri8 h SER 91 CO -0.04 1.00 0.02 0.58 -1.14 0.00 0.00 176.83 177.24 1ri8 h VAL 92 N 0.96 1.24 -0.99 2.27 2.07 -0.62 0.41 116.25 121.59 1ri8 h VAL 92 Ca 0.19 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1ri8 h VAL 92 Cb 0.42 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1ri8 h VAL 92 CO 0.01 0.25 0.65 0.78 0.02 0.00 0.00 177.57 179.29 1ri8 h ASN 93 N 0.16 1.11 -0.16 0.57 2.35 -0.92 0.38 115.58 119.07 1ri8 h ASN 93 Ca 0.07 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 1ri8 h ASN 93 Cb 0.36 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.47 1ri8 h ASN 93 CO 0.01 0.79 -0.57 0.00 -1.65 0.00 0.00 177.43 176.00 1ri8 h ALA 95 N 0.54 1.71 -0.37 0.00 0.00 -0.34 -0.66 119.26 120.15 1ri8 h ALA 95 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1ri8 h ALA 95 Cb 1.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1ri8 h ALA 95 CO 0.12 0.16 -0.04 0.87 0.00 0.00 0.00 179.25 180.36 1ri8 h LYS 96 N 0.76 0.61 -0.31 0.00 1.57 -0.83 0.18 116.57 118.54 1ri8 h LYS 96 Ca 0.33 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1ri8 h LYS 96 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1ri8 h LYS 96 CO -0.12 0.66 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.91 1ri8 h LYS 97 N 0.57 0.75 0.18 3.15 3.64 -1.03 -2.64 116.57 121.17 1ri8 h LYS 97 Ca 0.11 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1ri8 h LYS 97 Cb 0.42 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1ri8 h LYS 97 CO 0.02 1.01 -0.09 0.82 -2.27 0.00 0.00 179.45 178.94 1ri8 h ILE 98 N 0.51 0.90 0.00 2.00 2.04 -0.86 -3.12 117.51 118.98 1ri8 h ILE 98 Ca 0.05 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1ri8 h ILE 98 Cb 0.86 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1ri8 h ILE 98 CO 0.07 0.09 0.00 1.62 0.00 0.00 0.00 178.15 179.93 1ri8 h VAL 99 N -0.41 0.00 0.00 1.67 3.04 -1.02 -2.89 116.25 116.63 1ri8 h VAL 99 Ca -0.02 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1ri8 h VAL 99 Cb 0.32 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1ri8 h VAL 99 CO 0.04 0.00 0.00 0.28 -1.01 0.00 0.00 177.57 176.88 1ri8 h SER 100 N 0.00 0.00 -4.15 3.17 0.02 -1.40 -3.35 113.55 107.84 1ri8 h SER 100 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 1ri8 h SER 100 Cb 0.37 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.05 1ri8 h SER 100 CO 0.00 0.00 0.29 -0.62 -1.14 0.00 0.00 176.83 175.36 1ri8 s ASP 101 N -5.26 3.23 0.48 3.07 -1.08 -1.09 -4.94 116.67 111.08 1ri8 s ASP 101 Ca -0.00 0.89 0.14 0.00 -0.52 0.00 0.00 52.55 53.06 1ri8 s ASP 101 Cb 0.10 -1.40 1.11 0.00 -1.46 0.00 0.00 42.92 41.27 1ri8 s ASP 101 CO 0.47 -2.72 2.08 1.23 0.52 0.00 0.00 175.17 176.75 1ri8 h GLY 102 N -1.61 0.08 2.00 2.66 0.00 -1.90 -2.16 103.07 102.15 1ri8 h GLY 102 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1ri8 h GLY 102 CO 0.58 0.04 0.00 -2.01 0.00 0.00 0.00 176.54 175.14 1ri8 n ASN 103 N -4.45 0.51 0.00 0.19 5.15 -1.26 -4.94 115.26 110.45 1ri8 n ASN 103 Ca -0.02 0.61 0.00 0.00 -0.60 0.00 0.00 54.58 54.57 1ri8 n ASN 103 Cb 0.15 -0.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 1ri8 n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ri8 n GLY 104 N 0.18 3.01 0.00 8.20 0.00 -0.81 -2.01 105.19 113.74 1ri8 n GLY 104 Ca 0.03 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1ri8 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ri8 n MET 105 N 14.00 0.64 0.13 1.61 2.81 -1.26 -3.41 117.12 131.64 1ri8 n MET 105 Ca 0.00 0.02 0.09 0.00 -1.81 0.00 0.00 57.70 56.00 1ri8 n MET 105 Cb 0.00 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 31.49 1ri8 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ri8 n ASN 106 N -1.11 0.47 0.24 7.83 3.02 -0.85 -1.25 115.26 123.60 1ri8 n ASN 106 Ca 0.17 0.70 0.07 0.00 -0.03 0.00 0.00 54.58 55.48 1ri8 n ASN 106 Cb 0.13 -0.77 0.56 0.00 -0.61 0.00 0.00 39.78 39.09 1ri8 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ri8 h ALA 107 N 2.05 1.79 -1.94 5.41 0.00 -1.77 -3.38 119.26 121.42 1ri8 h ALA 107 Ca 0.00 -0.11 -0.65 0.00 0.00 0.00 0.00 54.91 54.15 1ri8 h ALA 107 Cb 0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.68 1ri8 h ALA 107 CO 0.00 0.15 0.30 -1.58 0.00 0.00 0.00 179.25 178.12 1ri8 s TRP 108 N -4.77 2.92 0.24 0.00 0.51 -0.38 -4.94 118.94 112.51 1ri8 s TRP 108 Ca -0.04 -0.32 -0.04 0.00 -2.12 0.00 0.00 56.10 53.58 1ri8 s TRP 108 Cb 0.16 -3.82 0.27 0.00 -0.81 0.00 0.00 33.47 29.27 1ri8 s TRP 108 CO 0.68 -1.21 1.74 0.28 -0.51 0.00 0.00 176.95 177.93 1ri8 h VAL 109 N 5.94 1.25 -0.44 4.03 2.07 -1.85 0.11 116.25 127.36 1ri8 h VAL 109 Ca -0.27 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.11 1ri8 h VAL 109 Cb 1.08 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1ri8 h VAL 109 CO 1.03 0.36 -0.24 0.00 0.02 0.00 0.00 177.57 178.74 1ri8 h ALA 110 N 1.20 0.74 -0.46 1.67 0.00 -1.92 -1.09 119.26 119.40 1ri8 h ALA 110 Ca 0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ri8 h ALA 110 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ri8 h ALA 110 CO 0.02 0.66 0.23 2.35 0.00 0.00 0.00 179.25 182.51 1ri8 h TRP 111 N 0.78 0.66 -0.75 0.00 7.01 -1.76 0.13 115.95 122.02 1ri8 h TRP 111 Ca 0.10 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1ri8 h TRP 111 Cb 0.80 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.61 1ri8 h TRP 111 CO 0.05 0.52 0.48 -0.09 -2.79 0.00 0.00 178.44 176.61 1ri8 h ARG 112 N 0.60 0.93 0.00 2.65 2.43 -0.60 0.27 114.38 120.67 1ri8 h ARG 112 Ca 0.16 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1ri8 h ARG 112 Cb 0.10 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1ri8 h ARG 112 CO -0.02 0.62 -0.58 -0.91 -1.51 0.00 0.00 179.97 177.57 1ri8 h ASN 113 N 0.96 0.00 0.00 -3.80 4.21 -0.93 -3.36 115.58 112.66 1ri8 h ASN 113 Ca 0.29 -0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.70 1ri8 h ASN 113 Cb -0.04 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1ri8 h ASN 113 CO -0.09 0.04 -1.17 0.54 -1.29 0.00 0.00 177.43 175.46 1ri8 n ARG 114 N -2.51 1.65 -0.05 0.81 5.12 0.42 -4.92 116.66 117.19 1ri8 n ARG 114 Ca 0.02 -0.02 -0.08 0.00 -1.93 0.00 0.00 57.85 55.85 1ri8 n ARG 114 Cb 0.49 -1.07 -0.04 0.00 -1.16 0.00 0.00 32.46 30.68 1ri8 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ri8 n LYS 116 N -3.06 1.27 -0.69 0.00 4.81 -0.22 -1.12 118.16 119.16 1ri8 n LYS 116 Ca -0.17 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1ri8 n LYS 116 Cb 0.65 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1ri8 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ri8 n GLY 117 N 2.79 1.57 4.02 3.14 0.00 -1.26 -4.97 105.19 110.47 1ri8 n GLY 117 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1ri8 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ri8 s THR 118 N -3.63 2.37 -1.16 2.61 -4.23 -0.27 -4.97 115.64 106.35 1ri8 s THR 118 Ca 0.00 -0.89 -0.19 0.00 -1.18 0.00 0.00 61.69 59.43 1ri8 s THR 118 Cb 0.00 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1ri8 s THR 118 CO 0.00 0.00 2.01 -0.67 -0.54 0.00 0.00 174.62 175.42 1ri8 n ASP 119 N -2.28 3.48 0.30 3.99 2.03 -1.26 -4.75 116.55 118.06 1ri8 n ASP 119 Ca 0.13 -2.78 0.20 0.00 0.52 0.00 0.00 54.79 52.86 1ri8 n ASP 119 Cb 0.61 -1.50 0.90 0.00 -0.72 0.00 0.00 41.12 40.41 1ri8 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ri8 h VAL 120 N 4.71 0.00 0.00 5.18 -1.51 -1.91 -2.59 116.25 120.13 1ri8 h VAL 120 Ca 0.45 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 65.60 1ri8 h VAL 120 Cb 0.73 1.31 -0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1ri8 h VAL 120 CO 1.76 0.00 -0.08 -0.61 -1.23 0.00 0.00 177.57 177.41 1ri8 h GLN 121 N 0.00 0.00 -0.65 5.19 4.15 -1.87 -1.48 115.11 120.44 1ri8 h GLN 121 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.57 1ri8 h GLN 121 Cb 0.31 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 1ri8 h GLN 121 CO 0.00 0.08 0.45 0.00 -1.93 0.00 0.00 178.83 177.43 1ri8 h ALA 122 N 1.92 2.29 0.00 3.38 0.00 -1.86 -1.54 119.26 123.46 1ri8 h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ri8 h ALA 122 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ri8 h ALA 122 CO 0.01 -0.47 0.00 0.91 0.00 0.00 0.00 179.25 179.70 1ri8 n TRP 123 N -4.43 0.19 0.08 0.00 7.02 -0.56 -2.30 117.44 117.43 1ri8 n TRP 123 Ca 0.12 0.08 0.01 0.00 -1.02 0.00 0.00 57.50 56.70 1ri8 n TRP 123 Cb 0.56 -0.63 0.02 0.00 -2.42 0.00 0.00 31.31 28.84 1ri8 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1ri8 n ILE 124 N -1.68 0.23 -2.45 -0.99 -5.35 -0.59 -4.83 119.36 103.71 1ri8 n ILE 124 Ca 0.02 -0.62 -0.39 0.00 -0.27 0.00 0.00 62.75 61.50 1ri8 n ILE 124 Cb 0.12 0.93 -0.04 0.00 -1.74 0.00 0.00 39.64 38.91 1ri8 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1ri8 s ARG 125 N -0.40 4.37 0.00 6.28 0.52 -0.97 -2.81 118.95 125.93 1ri8 s ARG 125 Ca 0.04 1.74 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 1ri8 s ARG 125 Cb 0.02 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1ri8 s ARG 125 CO 0.03 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1ri8 n GLY 126 N 0.82 1.14 3.87 -3.53 0.00 -1.26 -5.03 105.19 101.19 1ri8 n GLY 126 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1ri8 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ri8 s ARG 128 N -1.28 3.34 0.00 0.00 0.52 -1.26 -5.12 118.95 115.16 1ri8 s ARG 128 Ca 0.22 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1ri8 s ARG 128 Cb -0.14 -4.00 0.00 0.00 0.52 0.00 0.00 34.95 31.33 1ri8 s ARG 128 CO 0.11 -1.25 0.27 1.28 0.02 0.00 0.00 175.30 175.72