#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a67 s VAL 2 N 0.00 3.76 0.55 3.15 1.01 -1.26 -1.02 120.40 126.59 3a67 s VAL 2 Ca 0.00 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 3a67 s VAL 2 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3a67 s VAL 2 CO 0.00 -0.13 1.07 -0.36 0.00 0.00 0.00 175.10 175.67 3a67 s PHE 3 N 1.41 2.90 0.47 5.22 0.40 -0.31 -5.00 117.98 123.06 3a67 s PHE 3 Ca -0.01 1.54 -0.06 0.00 -0.60 0.00 0.00 56.93 57.80 3a67 s PHE 3 Cb -0.19 -3.09 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 3a67 s PHE 3 CO 0.02 -1.15 0.78 0.20 0.70 0.00 0.00 175.22 175.78 3a67 s GLY 4 N -2.30 1.58 0.10 4.36 0.00 -1.26 -4.84 107.32 104.96 3a67 s GLY 4 Ca 0.67 -0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.65 3a67 s GLY 4 CO 0.29 -0.29 1.63 -0.09 0.00 0.00 0.00 173.10 174.65 3a67 h ARG 5 N 0.41 -0.54 -0.24 2.90 2.43 -1.96 -0.49 114.38 116.88 3a67 h ARG 5 Ca -0.47 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 3a67 h ARG 5 Cb 1.20 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 3a67 h ARG 5 CO 0.62 -0.36 -0.22 0.00 -1.51 0.00 0.00 179.97 178.50 3a67 h GLU 7 N 0.40 0.80 -0.28 0.00 4.81 -1.87 -1.48 114.58 116.96 3a67 h GLU 7 Ca 0.06 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 3a67 h GLU 7 Cb 0.61 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3a67 h GLU 7 CO 0.04 0.60 -0.50 1.25 -0.73 0.00 0.00 179.01 179.67 3a67 h LEU 8 N 0.78 0.88 -0.66 1.64 5.85 -0.84 -1.98 115.31 120.97 3a67 h LEU 8 Ca 0.20 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.52 3a67 h LEU 8 Cb 0.03 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 3a67 h LEU 8 CO -0.03 1.22 0.39 0.00 -0.34 0.00 0.00 178.44 179.68 3a67 h ALA 9 N 0.80 0.88 -0.45 1.25 0.00 -0.99 0.18 119.26 120.93 3a67 h ALA 9 Ca 0.03 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a67 h ALA 9 Cb 1.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3a67 h ALA 9 CO 0.11 0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.42 3a67 h ALA 10 N 1.31 0.61 -0.41 0.00 0.00 -1.19 -1.41 119.26 118.17 3a67 h ALA 10 Ca 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3a67 h ALA 10 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3a67 h ALA 10 CO -0.14 0.45 0.17 0.00 0.00 0.00 0.00 179.25 179.73 3a67 h ALA 11 N 0.89 0.54 -0.21 0.00 0.00 -0.83 -1.17 119.26 118.48 3a67 h ALA 11 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3a67 h ALA 11 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3a67 h ALA 11 CO 0.03 0.14 -0.16 0.52 0.00 0.00 0.00 179.25 179.78 3a67 h MET 12 N 0.52 0.35 -0.43 0.00 2.86 -0.56 -0.29 114.93 117.38 3a67 h MET 12 Ca 0.14 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3a67 h MET 12 Cb 0.18 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3a67 h MET 12 CO -0.01 0.50 -0.11 -0.22 1.06 0.00 0.00 176.91 178.13 3a67 h LYS 13 N 0.32 0.83 0.00 1.72 3.64 -0.92 -1.29 116.57 120.86 3a67 h LYS 13 Ca 0.06 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 3a67 h LYS 13 Cb 0.47 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3a67 h LYS 13 CO 0.03 0.94 -0.18 0.00 -2.27 0.00 0.00 179.45 177.97 3a67 h ARG 14 N 0.65 0.00 -0.91 1.90 3.08 -0.62 -1.85 114.38 116.64 3a67 h ARG 14 Ca 0.11 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.89 3a67 h ARG 14 Cb 0.64 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.53 3a67 h ARG 14 CO 0.04 0.18 0.34 0.72 -1.07 0.00 0.00 179.97 180.19 3a67 n HIS 15 N -3.79 2.07 -3.05 3.04 8.25 -0.18 -4.93 115.22 116.64 3a67 n HIS 15 Ca -0.02 -1.22 -0.22 0.00 -0.26 0.00 0.00 57.72 56.01 3a67 n HIS 15 Cb 0.29 -0.66 0.04 0.00 1.12 0.00 0.00 29.99 30.77 3a67 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a67 n GLY 16 N -0.37 -0.46 1.11 -1.41 0.00 -0.69 -4.93 105.19 98.43 3a67 n GLY 16 Ca 0.37 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.58 3a67 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a67 n LEU 17 N -3.96 4.22 0.04 0.99 4.77 -0.55 -4.39 117.00 118.12 3a67 n LEU 17 Ca -0.10 -2.86 -0.03 0.00 -0.03 0.00 0.00 56.01 53.00 3a67 n LEU 17 Cb 0.61 -0.54 0.22 0.00 -2.33 0.00 0.00 43.42 41.38 3a67 n LEU 17 CO 0.47 0.68 0.74 -0.78 -1.33 0.00 0.00 177.39 177.17 3a67 h ASP 18 N 2.42 0.42 -0.18 -1.43 3.58 -1.82 -3.23 116.42 116.17 3a67 h ASP 18 Ca 0.00 -0.14 -0.25 0.00 0.42 0.00 0.00 57.03 57.06 3a67 h ASP 18 Cb 1.48 -0.12 -0.19 0.00 1.72 0.00 0.00 39.33 42.22 3a67 h ASP 18 CO 0.26 0.68 -0.50 -3.20 -2.88 0.00 0.00 179.24 173.59 3a67 n ASN 19 N -4.12 -1.35 -4.68 2.28 5.15 -1.25 -2.13 115.26 109.16 3a67 n ASN 19 Ca -0.01 -2.56 -0.43 0.00 -0.60 0.00 0.00 54.58 50.99 3a67 n ASN 19 Cb 0.40 0.78 -0.02 0.00 -0.53 0.00 0.00 39.78 40.41 3a67 n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3a67 s TYR 20 N -0.37 3.44 -1.59 1.20 5.04 -1.15 -4.11 117.35 119.81 3a67 s TYR 20 Ca 0.23 1.53 -0.07 0.00 -2.44 0.00 0.00 57.07 56.32 3a67 s TYR 20 Cb 0.41 -3.21 0.07 0.00 0.35 0.00 0.00 41.96 39.57 3a67 s TYR 20 CO -0.07 -0.33 0.37 0.54 -1.34 0.00 0.00 175.55 174.73 3a67 n ARG 21 N 5.53 -2.05 -0.88 4.97 5.12 -1.26 -1.44 116.66 126.65 3a67 n ARG 21 Ca 0.10 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 3a67 n ARG 21 Cb 0.48 -4.34 0.00 0.00 -1.16 0.00 0.00 32.46 27.44 3a67 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a67 n GLY 22 N -1.94 0.82 3.39 -0.13 0.00 -1.26 -5.03 105.19 101.04 3a67 n GLY 22 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 3a67 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a67 s TYR 23 N -3.19 3.03 0.69 1.61 2.02 -0.52 -5.09 117.35 115.89 3a67 s TYR 23 Ca 0.00 -0.64 -0.14 0.00 -0.37 0.00 0.00 57.07 55.92 3a67 s TYR 23 Cb 0.00 -2.17 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 3a67 s TYR 23 CO 0.00 -0.42 1.11 -1.54 -1.57 0.00 0.00 175.55 173.13 3a67 s SER 24 N 1.49 4.88 0.30 2.29 1.04 -1.26 -2.96 113.70 119.48 3a67 s SER 24 Ca 0.06 1.98 0.06 0.00 0.48 0.00 0.00 55.95 58.53 3a67 s SER 24 Cb -0.15 -2.55 0.77 0.00 0.10 0.00 0.00 66.02 64.20 3a67 s SER 24 CO 0.01 -1.78 1.74 0.25 0.98 0.00 0.00 173.24 174.43 3a67 h LEU 25 N -0.28 0.63 -1.81 2.42 5.85 -1.45 -1.46 115.31 119.21 3a67 h LEU 25 Ca -0.46 0.12 0.14 0.00 0.84 0.00 0.00 57.88 58.52 3a67 h LEU 25 Cb 1.25 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3a67 h LEU 25 CO 0.53 0.15 0.41 1.23 -0.34 0.00 0.00 178.44 180.42 3a67 h GLY 26 N 0.61 0.32 0.91 3.75 0.00 -1.89 -1.53 103.07 105.23 3a67 h GLY 26 Ca 0.59 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.85 3a67 h GLY 26 CO -0.44 0.04 0.34 3.43 0.00 0.00 0.00 176.54 179.90 3a67 h ASN 27 N 0.20 0.56 -0.16 0.19 2.35 -1.48 -0.62 115.58 116.62 3a67 h ASN 27 Ca 0.28 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.88 3a67 h ASN 27 Cb 0.85 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 3a67 h ASN 27 CO -0.05 0.40 -0.44 -0.50 -1.65 0.00 0.00 177.43 175.18 3a67 h TRP 28 N 0.68 0.87 -0.24 1.19 4.06 -1.41 -0.25 115.95 120.84 3a67 h TRP 28 Ca 0.22 -0.27 -0.11 0.00 2.06 0.00 0.00 58.89 60.79 3a67 h TRP 28 Cb -0.01 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 27.97 3a67 h TRP 28 CO -0.05 1.03 -0.27 0.28 -3.56 0.00 0.00 178.44 175.87 3a67 h VAL 29 N 0.58 1.32 -0.65 1.49 2.07 -1.36 -1.63 116.25 118.06 3a67 h VAL 29 Ca 0.04 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 3a67 h VAL 29 Cb 1.00 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3a67 h VAL 29 CO 0.09 0.45 0.34 0.00 0.02 0.00 0.00 177.57 178.48 3a67 h ALA 31 N 1.16 0.56 -0.81 0.00 0.00 -0.94 -2.29 119.26 116.93 3a67 h ALA 31 Ca 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3a67 h ALA 31 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3a67 h ALA 31 CO -0.03 0.04 0.40 0.00 0.00 0.00 0.00 179.25 179.66 3a67 h ALA 32 N 1.12 1.17 0.00 0.00 0.00 -1.02 0.84 119.26 121.37 3a67 h ALA 32 Ca 0.16 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a67 h ALA 32 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3a67 h ALA 32 CO -0.03 0.64 -0.06 -0.22 0.00 0.00 0.00 179.25 179.58 3a67 h LYS 33 N 1.16 -0.10 0.00 0.00 1.63 -0.80 -1.27 116.57 117.18 3a67 h LYS 33 Ca 0.28 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 3a67 h LYS 33 Cb 0.10 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3a67 h LYS 33 CO -0.04 -0.07 -0.48 0.74 -3.45 0.00 0.00 179.45 176.15 3a67 h PHE 34 N -0.11 0.00 0.15 1.91 0.04 -1.28 0.03 116.94 117.68 3a67 h PHE 34 Ca 0.03 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.53 3a67 h PHE 34 Cb 0.14 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.30 3a67 h PHE 34 CO -0.13 0.00 -1.29 0.93 -0.60 0.00 0.00 178.31 177.22 3a67 h GLU 35 N 0.00 0.32 0.00 1.51 4.39 -0.78 -3.43 114.58 116.59 3a67 h GLU 35 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3a67 h GLU 35 Cb 0.87 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3a67 h GLU 35 CO 0.00 1.26 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 3a67 n SER 36 N -3.92 0.26 -3.43 1.42 3.41 -0.55 -4.81 113.62 106.00 3a67 n SER 36 Ca -0.21 -1.01 -0.24 0.00 -0.26 0.00 0.00 58.87 57.15 3a67 n SER 36 Cb 0.93 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.94 3a67 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3a67 n ASN 37 N -0.01 -6.34 -0.92 4.04 5.15 -0.00 -2.12 115.26 115.05 3a67 n ASN 37 Ca 0.00 -0.47 -0.12 0.00 -0.60 0.00 0.00 54.58 53.39 3a67 n ASN 37 Cb 0.20 -5.02 -0.05 0.00 -0.53 0.00 0.00 39.78 34.38 3a67 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3a67 n PHE 38 N -4.88 0.00 -3.41 1.20 3.72 -1.11 -4.85 117.46 108.13 3a67 n PHE 38 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 3a67 n PHE 38 Cb 0.58 -2.42 -0.10 0.00 -0.94 0.00 0.00 39.48 36.60 3a67 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3a67 s ASN 39 N -2.66 6.14 0.61 4.37 2.47 -0.90 -1.16 114.94 123.80 3a67 s ASN 39 Ca 0.00 -0.65 0.38 0.00 0.42 0.00 0.00 52.86 53.01 3a67 s ASN 39 Cb 0.00 -2.18 1.93 0.00 -1.45 0.00 0.00 41.25 39.55 3a67 s ASN 39 CO 0.00 -0.45 2.20 0.71 -3.72 0.00 0.00 177.10 175.85 3a67 h THR 40 N 5.63 0.10 -0.19 -5.21 1.35 -1.41 -2.51 112.91 110.68 3a67 h THR 40 Ca -0.28 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3a67 h THR 40 Cb 1.13 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3a67 h THR 40 CO 0.73 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 176.02 3a67 n GLN 41 N -3.20 2.24 -1.81 4.72 1.13 -1.26 -3.90 117.38 115.31 3a67 n GLN 41 Ca -0.02 -1.84 -0.41 0.00 -1.94 0.00 0.00 57.00 52.79 3a67 n GLN 41 Cb 0.17 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.04 3a67 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a67 s ALA 42 N -1.77 3.66 0.01 -1.58 0.00 -0.94 -4.77 121.76 116.37 3a67 s ALA 42 Ca 0.34 1.55 -0.04 0.00 0.00 0.00 0.00 51.96 53.81 3a67 s ALA 42 Cb 0.21 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3a67 s ALA 42 CO 0.31 -0.99 0.07 0.95 0.00 0.00 0.00 175.76 176.09 3a67 s THR 43 N -0.50 0.09 -0.16 0.00 -4.23 -1.26 -0.71 115.64 108.88 3a67 s THR 43 Ca 0.58 -0.77 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 3a67 s THR 43 Cb -0.47 -0.36 0.08 0.00 1.34 0.00 0.00 72.50 73.09 3a67 s THR 43 CO 0.54 -0.42 0.24 0.21 -0.54 0.00 0.00 174.62 174.64 3a67 s ASN 44 N -1.40 0.83 0.09 3.99 2.47 -0.78 -4.96 114.94 115.18 3a67 s ASN 44 Ca -0.15 0.20 -0.30 0.00 0.42 0.00 0.00 52.86 53.03 3a67 s ASN 44 Cb -0.08 0.53 -0.06 0.00 -1.45 0.00 0.00 41.25 40.19 3a67 s ASN 44 CO 0.00 -0.28 1.14 -0.60 -3.72 0.00 0.00 177.10 173.65 3a67 s ARG 45 N 2.37 4.50 0.35 0.43 3.52 -1.26 -1.07 118.95 127.79 3a67 s ARG 45 Ca 0.05 1.72 0.07 0.00 -0.13 0.00 0.00 55.73 57.43 3a67 s ARG 45 Cb -0.14 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 3a67 s ARG 45 CO -0.10 -0.13 0.41 -0.80 -0.81 0.00 0.00 175.30 173.87 3a67 s ASN 46 N 0.68 5.63 0.15 -2.12 0.01 0.19 -4.98 114.94 114.51 3a67 s ASN 46 Ca 0.55 -0.36 -0.17 0.00 -0.71 0.00 0.00 52.86 52.17 3a67 s ASN 46 Cb -0.29 -1.03 0.03 0.00 0.41 0.00 0.00 41.25 40.38 3a67 s ASN 46 CO 0.31 -0.46 1.77 0.74 -1.51 0.00 0.00 177.10 177.95 3a67 h THR 47 N 1.00 0.98 0.00 1.60 2.02 -1.96 -2.32 112.91 114.21 3a67 h THR 47 Ca -0.44 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3a67 h THR 47 Cb 1.26 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3a67 h THR 47 CO 0.54 0.06 0.00 -0.90 0.37 0.00 0.00 175.52 175.59 3a67 n ASP 48 N -4.95 0.00 0.00 4.18 5.75 -1.26 -4.75 116.55 115.52 3a67 n ASP 48 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 3a67 n ASP 48 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3a67 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a67 n GLY 49 N -0.29 1.26 3.92 6.12 0.00 -0.87 -4.75 105.19 110.58 3a67 n GLY 49 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3a67 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a67 s SER 50 N -3.09 5.06 0.01 1.61 1.04 -1.26 -4.58 113.70 112.50 3a67 s SER 50 Ca 0.00 0.60 0.02 0.00 0.48 0.00 0.00 55.95 57.05 3a67 s SER 50 Cb 0.00 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.76 3a67 s SER 50 CO 0.00 -1.45 -0.05 -0.89 0.98 0.00 0.00 173.24 171.83 3a67 s THR 51 N -3.21 0.38 -0.15 2.02 2.01 -1.26 0.56 115.64 116.00 3a67 s THR 51 Ca 0.58 -0.45 -0.13 0.00 0.31 0.00 0.00 61.69 62.01 3a67 s THR 51 Cb -0.11 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 3a67 s THR 51 CO 0.46 -0.05 0.28 -1.81 -0.69 0.00 0.00 174.62 172.80 3a67 s ASP 52 N -0.54 6.44 -0.03 3.53 1.01 -0.23 -1.05 116.67 125.81 3a67 s ASP 52 Ca -0.02 0.51 0.07 0.00 0.71 0.00 0.00 52.55 53.83 3a67 s ASP 52 Cb -0.04 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 3a67 s ASP 52 CO -0.00 0.14 -0.24 -0.31 0.21 0.00 0.00 175.17 174.97 3a67 s TYR 53 N 0.25 2.40 0.00 4.23 1.51 0.78 -1.87 117.35 124.64 3a67 s TYR 53 Ca 0.16 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 3a67 s TYR 53 Cb -0.13 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 3a67 s TYR 53 CO 0.04 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 3a67 n GLY 54 N 2.50 -2.15 0.31 0.71 0.00 0.11 -0.91 105.19 105.76 3a67 n GLY 54 Ca -0.16 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.53 3a67 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a67 h ILE 55 N 0.00 0.62 -0.17 -0.61 2.10 -1.67 -1.18 117.51 116.60 3a67 h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3a67 h ILE 55 Cb 0.00 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 36.67 3a67 h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 3a67 n LEU 56 N -4.01 2.99 -3.99 2.19 4.77 -1.26 -4.08 117.00 113.61 3a67 n LEU 56 Ca -0.01 -2.65 -0.40 0.00 -0.03 0.00 0.00 56.01 52.92 3a67 n LEU 56 Cb 0.19 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3a67 n LEU 56 CO 0.29 0.67 -0.19 0.00 -1.33 0.00 0.00 177.39 176.83 3a67 n GLN 57 N -0.52 -0.65 -2.76 3.23 1.13 -0.45 -4.89 117.38 112.47 3a67 n GLN 57 Ca 0.14 0.29 -0.42 0.00 -1.94 0.00 0.00 57.00 55.08 3a67 n GLN 57 Cb 0.63 -2.44 -0.03 0.00 0.11 0.00 0.00 30.24 28.50 3a67 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3a67 s ILE 58 N -3.36 4.90 0.25 5.09 1.01 -0.08 -4.40 121.20 124.60 3a67 s ILE 58 Ca 0.34 1.96 -0.30 0.00 0.00 0.00 0.00 60.65 62.65 3a67 s ILE 58 Cb -0.19 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 37.92 3a67 s ILE 58 CO 0.95 0.18 1.06 0.21 0.00 0.00 0.00 174.94 177.34 3a67 s ASN 59 N 0.97 7.36 0.03 3.58 2.47 -1.26 -0.16 114.94 127.93 3a67 s ASN 59 Ca 0.50 2.16 0.27 0.00 0.42 0.00 0.00 52.86 56.20 3a67 s ASN 59 Cb -0.20 -2.62 1.10 0.00 -1.45 0.00 0.00 41.25 38.08 3a67 s ASN 59 CO 0.26 -0.09 1.84 -1.54 -3.72 0.00 0.00 177.10 173.86 3a67 n SER 60 N 1.51 0.11 0.08 -4.21 3.41 -0.21 -1.86 113.62 112.45 3a67 n SER 60 Ca -0.01 0.51 -0.17 0.00 -0.26 0.00 0.00 58.87 58.95 3a67 n SER 60 Cb 0.46 -0.54 -0.14 0.00 -0.26 0.00 0.00 64.21 63.72 3a67 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3a67 h ARG 61 N 0.00 0.26 0.00 4.33 2.43 -1.85 -3.41 114.38 116.15 3a67 h ARG 61 Ca 0.00 -0.45 -0.16 0.00 -0.81 0.00 0.00 59.98 58.56 3a67 h ARG 61 Cb 0.49 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3a67 h ARG 61 CO 0.00 1.16 -1.61 0.91 -1.51 0.00 0.00 179.97 178.91 3a67 n TRP 62 N -3.48 0.00 -0.13 2.20 7.02 -1.24 -1.25 117.44 120.56 3a67 n TRP 62 Ca -0.14 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.11 3a67 n TRP 62 Cb 1.04 -0.43 -0.10 0.00 -2.42 0.00 0.00 31.31 29.40 3a67 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3a67 n TRP 63 N -2.55 0.00 -4.38 -5.99 7.02 -0.78 0.45 117.44 111.21 3a67 n TRP 63 Ca -0.17 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.11 3a67 n TRP 63 Cb 0.75 -0.94 -0.10 0.00 -2.42 0.00 0.00 31.31 28.60 3a67 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a67 s ASN 65 N -3.35 5.31 0.00 0.00 2.47 -0.69 -4.39 114.94 114.29 3a67 s ASN 65 Ca 0.24 -0.33 0.10 0.00 0.42 0.00 0.00 52.86 53.29 3a67 s ASN 65 Cb -0.02 -1.96 0.24 0.00 -1.45 0.00 0.00 41.25 38.07 3a67 s ASN 65 CO 0.09 -0.09 1.16 -0.90 -3.72 0.00 0.00 177.10 173.64 3a67 n ASP 66 N 4.94 2.67 -0.29 -4.21 5.75 -1.26 -1.82 116.55 122.32 3a67 n ASP 66 Ca -0.15 -1.90 -0.04 0.00 -0.01 0.00 0.00 54.79 52.69 3a67 n ASP 66 Cb 0.50 -0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 3a67 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a67 n GLY 67 N 0.44 0.40 0.00 6.12 0.00 -1.26 -4.77 105.19 106.11 3a67 n GLY 67 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3a67 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a67 n ARG 68 N 0.09 1.39 -4.33 1.61 1.74 -1.26 -5.04 116.66 110.86 3a67 n ARG 68 Ca -0.04 -0.96 -0.34 0.00 -0.77 0.00 0.00 57.85 55.74 3a67 n ARG 68 Cb 0.50 -0.77 -0.14 0.00 -1.02 0.00 0.00 32.46 31.03 3a67 n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a67 s THR 69 N -0.48 3.30 0.00 0.55 2.01 -1.26 -4.88 115.64 114.88 3a67 s THR 69 Ca 0.00 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.45 3a67 s THR 69 Cb 0.00 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.07 3a67 s THR 69 CO 0.00 0.48 0.00 -2.65 -0.69 0.00 0.00 174.62 171.76 3a67 n PRO 70 N 4.09 0.00 -0.59 4.92 -0.02 -1.26 -3.18 135.00 138.96 3a67 n PRO 70 Ca -0.18 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.22 3a67 n PRO 70 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.90 3a67 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a67 n GLY 71 N 0.00 2.22 3.77 -1.23 0.00 -1.26 -4.91 105.19 103.78 3a67 n GLY 71 Ca 0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 3a67 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a67 s SER 72 N 2.48 6.43 -0.00 1.61 0.15 -1.19 -4.81 113.70 118.37 3a67 s SER 72 Ca 0.39 2.90 0.03 0.00 0.70 0.00 0.00 55.95 59.97 3a67 s SER 72 Cb 0.18 -2.66 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3a67 s SER 72 CO -0.00 -0.80 0.08 0.54 1.20 0.00 0.00 173.24 174.26 3a67 n ARG 73 N 0.48 1.54 -3.98 5.44 1.74 -0.38 -5.01 116.66 116.48 3a67 n ARG 73 Ca 0.01 -0.02 -0.37 0.00 -0.77 0.00 0.00 57.85 56.70 3a67 n ARG 73 Cb 0.41 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 3a67 n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3a67 n ASN 74 N -1.47 -3.08 0.29 0.55 4.05 -1.16 -4.83 115.26 109.60 3a67 n ASN 74 Ca -0.00 -1.17 0.14 0.00 0.45 0.00 0.00 54.58 53.99 3a67 n ASN 74 Cb 0.07 -2.36 0.84 0.00 1.23 0.00 0.00 39.78 39.57 3a67 n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3a67 h LEU 75 N -2.18 0.00 -1.27 1.20 3.38 0.12 -1.18 115.31 115.38 3a67 h LEU 75 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 3a67 h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3a67 h LEU 75 CO 0.55 0.03 0.00 0.00 0.09 0.00 0.00 178.44 179.11 3a67 n ASN 77 N 0.51 -1.72 -3.70 0.00 3.02 -0.45 -4.95 115.26 107.97 3a67 n ASN 77 Ca 0.17 -1.17 -0.14 0.00 -0.03 0.00 0.00 54.58 53.41 3a67 n ASN 77 Cb 0.41 -2.29 -0.09 0.00 -0.61 0.00 0.00 39.78 37.20 3a67 n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3a67 s ILE 78 N -3.90 0.03 0.15 2.41 1.10 -1.26 -5.08 121.20 114.65 3a67 s ILE 78 Ca 0.21 -0.22 -0.30 0.00 -0.51 0.00 0.00 60.65 59.82 3a67 s ILE 78 Cb -0.10 -0.68 -0.07 0.00 0.15 0.00 0.00 42.46 41.76 3a67 s ILE 78 CO 0.94 -0.12 1.11 -2.16 -2.11 0.00 0.00 174.94 172.60 3a67 s PRO 79 N -0.74 4.57 0.55 3.50 0.04 -1.26 -1.71 135.00 139.95 3a67 s PRO 79 Ca -0.08 1.71 0.28 0.00 0.04 0.00 0.00 61.00 62.94 3a67 s PRO 79 Cb -0.04 -3.30 1.46 0.00 0.04 0.00 0.00 34.50 32.67 3a67 s PRO 79 CO 0.04 0.02 1.96 0.00 0.04 0.00 0.00 177.00 179.06 3a67 h SER 81 N 0.00 0.71 0.05 0.00 4.64 -1.91 -0.77 113.55 116.27 3a67 h SER 81 Ca 0.26 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3a67 h SER 81 Cb 1.16 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3a67 h SER 81 CO -0.00 0.50 -0.01 0.00 -0.87 0.00 0.00 176.83 176.46 3a67 h ALA 82 N 1.60 1.20 -0.08 5.18 0.00 -1.37 -0.28 119.26 125.51 3a67 h ALA 82 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3a67 h ALA 82 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3a67 h ALA 82 CO -0.06 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3a67 n LEU 83 N -3.38 1.16 -1.30 0.00 4.77 -0.29 -3.82 117.00 114.14 3a67 n LEU 83 Ca -0.03 -0.46 -0.01 0.00 -0.03 0.00 0.00 56.01 55.48 3a67 n LEU 83 Cb 0.09 -0.05 0.24 0.00 -2.33 0.00 0.00 43.42 41.37 3a67 n LEU 83 CO 0.23 0.23 0.81 0.18 -1.33 0.00 0.00 177.39 177.51 3a67 n LEU 84 N -0.04 4.61 -4.94 2.23 4.32 -0.12 -3.82 117.00 119.24 3a67 n LEU 84 Ca 0.17 -3.39 -0.25 0.00 -0.02 0.00 0.00 56.01 52.53 3a67 n LEU 84 Cb 0.26 -0.64 -0.02 0.00 -1.62 0.00 0.00 43.42 41.41 3a67 n LEU 84 CO 0.14 0.95 0.14 -0.55 -1.22 0.00 0.00 177.39 176.84 3a67 s SER 85 N -1.95 6.33 0.36 -1.43 0.15 -1.25 -4.66 113.70 111.25 3a67 s SER 85 Ca 0.47 0.46 0.27 0.00 0.70 0.00 0.00 55.95 57.85 3a67 s SER 85 Cb 0.40 -2.03 0.98 0.00 -1.71 0.00 0.00 66.02 63.65 3a67 s SER 85 CO 0.06 -0.23 1.79 0.28 1.20 0.00 0.00 173.24 176.35 3a67 h SER 86 N 1.12 0.00 -3.41 5.45 0.02 -1.95 -3.40 113.55 111.37 3a67 h SER 86 Ca -0.49 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.85 3a67 h SER 86 Cb 1.21 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.65 3a67 h SER 86 CO 0.63 0.00 0.33 -0.62 -1.14 0.00 0.00 176.83 176.03 3a67 s ASP 87 N -4.97 6.67 0.00 3.07 -1.08 -1.26 -4.95 116.67 114.15 3a67 s ASP 87 Ca 0.05 0.77 0.26 0.00 -0.52 0.00 0.00 52.55 53.10 3a67 s ASP 87 Cb 0.09 -2.39 1.45 0.00 -1.46 0.00 0.00 42.92 40.61 3a67 s ASP 87 CO 0.51 -0.50 1.94 2.30 0.52 0.00 0.00 175.17 179.94 3a67 n ILE 88 N 5.34 0.01 -0.15 4.11 -5.35 -1.26 -4.41 119.36 117.66 3a67 n ILE 88 Ca 0.03 -0.04 -0.10 0.00 -0.27 0.00 0.00 62.75 62.36 3a67 n ILE 88 Cb 0.48 -0.29 -0.05 0.00 -1.74 0.00 0.00 39.64 38.04 3a67 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3a67 h THR 89 N 0.31 0.08 -0.63 7.28 2.02 -1.94 -0.06 112.91 119.98 3a67 h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3a67 h THR 89 Cb 0.07 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 3a67 h THR 89 CO 0.00 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.22 3a67 h ALA 90 N 0.37 0.80 -0.58 6.16 0.00 -1.83 -0.25 119.26 123.94 3a67 h ALA 90 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3a67 h ALA 90 Cb 0.58 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3a67 h ALA 90 CO -0.60 0.34 0.24 0.77 0.00 0.00 0.00 179.25 180.00 3a67 h SER 91 N 0.86 0.79 -0.45 0.00 0.02 -1.72 -1.45 113.55 111.58 3a67 h SER 91 Ca 0.22 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 3a67 h SER 91 Cb 0.08 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3a67 h SER 91 CO -0.03 0.73 0.08 0.58 -1.14 0.00 0.00 176.83 177.05 3a67 h VAL 92 N 0.79 1.24 -0.48 2.27 2.07 -0.75 0.27 116.25 121.66 3a67 h VAL 92 Ca 0.19 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3a67 h VAL 92 Cb 0.18 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3a67 h VAL 92 CO -0.02 0.31 0.26 0.78 0.02 0.00 0.00 177.57 178.92 3a67 h ASN 93 N 0.61 0.38 -0.32 0.57 2.35 -0.80 -1.34 115.58 117.03 3a67 h ASN 93 Ca 0.14 0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 3a67 h ASN 93 Cb 0.37 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3a67 h ASN 93 CO 0.01 0.27 -0.35 0.00 -1.65 0.00 0.00 177.43 175.70 3a67 h ALA 95 N 0.72 1.71 -0.30 0.00 0.00 -0.65 -0.45 119.26 120.29 3a67 h ALA 95 Ca 0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3a67 h ALA 95 Cb 0.94 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3a67 h ALA 95 CO 0.09 0.20 -0.20 0.87 0.00 0.00 0.00 179.25 180.21 3a67 h LYS 96 N 0.71 0.56 -0.19 0.00 1.57 -1.11 -0.80 116.57 117.32 3a67 h LYS 96 Ca 0.27 -0.20 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 3a67 h LYS 96 Cb 0.19 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.46 3a67 h LYS 96 CO -0.08 0.73 -0.58 -0.22 -0.57 0.00 0.00 179.45 178.73 3a67 h LYS 97 N 0.50 0.72 -0.09 3.15 3.64 -1.10 -2.76 116.57 120.63 3a67 h LYS 97 Ca 0.08 -0.53 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 3a67 h LYS 97 Cb 0.62 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3a67 h LYS 97 CO 0.04 1.15 -0.06 0.82 -2.27 0.00 0.00 179.45 179.13 3a67 h ILE 98 N 0.43 0.81 0.00 2.00 2.04 -0.85 -2.27 117.51 119.68 3a67 h ILE 98 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3a67 h ILE 98 Cb 1.20 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3a67 h ILE 98 CO 0.12 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.82 3a67 n VAL 99 N -5.19 0.86 1.92 1.67 3.14 -0.33 -2.31 118.33 118.08 3a67 n VAL 99 Ca -0.04 0.21 0.15 0.00 -2.96 0.00 0.00 64.34 61.70 3a67 n VAL 99 Cb 0.12 -1.05 0.86 0.00 -1.06 0.00 0.00 33.84 32.72 3a67 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3a67 n SER 100 N -1.91 0.24 -4.91 6.55 7.64 -0.85 -4.12 113.62 116.26 3a67 n SER 100 Ca 0.03 -1.10 -0.27 0.00 1.01 0.00 0.00 58.87 58.54 3a67 n SER 100 Cb 0.22 -0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3a67 n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a67 s ASP 101 N -1.98 6.27 0.61 6.43 2.15 -0.98 -4.96 116.67 124.22 3a67 s ASP 101 Ca 0.46 0.87 0.31 0.00 0.43 0.00 0.00 52.55 54.61 3a67 s ASP 101 Cb 0.21 -2.22 1.74 0.00 -0.30 0.00 0.00 42.92 42.35 3a67 s ASP 101 CO 0.36 -0.53 2.09 1.23 -0.17 0.00 0.00 175.17 178.15 3a67 h GLY 102 N 0.33 0.00 2.00 2.66 0.00 -1.89 -0.86 103.07 105.31 3a67 h GLY 102 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3a67 h GLY 102 CO 0.62 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.86 3a67 n ASN 103 N -3.58 0.33 0.00 0.19 3.02 -1.26 -4.96 115.26 109.00 3a67 n ASN 103 Ca 0.01 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 3a67 n ASN 103 Cb 0.32 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3a67 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a67 n GLY 104 N 0.47 2.62 0.00 7.41 0.00 -0.33 -1.69 105.19 113.67 3a67 n GLY 104 Ca 0.04 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3a67 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a67 n MET 105 N 14.00 0.81 0.06 1.61 2.81 -1.26 -3.32 117.12 131.82 3a67 n MET 105 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.96 3a67 n MET 105 Cb 0.00 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.31 3a67 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3a67 n ASN 106 N -1.03 0.24 0.27 7.83 3.02 -0.68 -1.14 115.26 123.77 3a67 n ASN 106 Ca 0.20 0.58 0.14 0.00 -0.03 0.00 0.00 54.58 55.47 3a67 n ASN 106 Cb 0.11 -0.62 0.76 0.00 -0.61 0.00 0.00 39.78 39.41 3a67 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a67 h ALA 107 N 2.21 1.25 -2.10 5.41 0.00 -1.72 -3.37 119.26 120.93 3a67 h ALA 107 Ca 0.00 -0.09 -0.72 0.00 0.00 0.00 0.00 54.91 54.09 3a67 h ALA 107 Cb 0.15 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 17.71 3a67 h ALA 107 CO 0.00 0.13 -0.11 -1.58 0.00 0.00 0.00 179.25 177.69 3a67 s TRP 108 N -4.16 3.14 0.26 0.00 0.51 -0.29 -4.95 118.94 113.45 3a67 s TRP 108 Ca -0.03 -0.94 -0.04 0.00 -2.12 0.00 0.00 56.10 52.98 3a67 s TRP 108 Cb 0.13 -3.62 0.36 0.00 -0.81 0.00 0.00 33.47 29.53 3a67 s TRP 108 CO 0.57 -1.03 1.88 0.28 -0.51 0.00 0.00 176.95 178.14 3a67 h VAL 109 N 5.86 1.11 -0.55 4.03 2.07 -1.85 -0.32 116.25 126.60 3a67 h VAL 109 Ca -0.29 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 66.72 3a67 h VAL 109 Cb 1.10 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3a67 h VAL 109 CO 0.99 0.21 -0.08 0.00 0.02 0.00 0.00 177.57 178.72 3a67 h ALA 110 N 1.43 0.82 -0.39 1.67 0.00 -1.92 -0.87 119.26 119.99 3a67 h ALA 110 Ca 0.41 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3a67 h ALA 110 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3a67 h ALA 110 CO -0.16 0.66 0.18 2.35 0.00 0.00 0.00 179.25 182.28 3a67 h TRP 111 N 0.91 0.58 -0.76 0.00 7.01 -1.70 0.29 115.95 122.28 3a67 h TRP 111 Ca 0.15 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.12 3a67 h TRP 111 Cb 0.64 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.48 3a67 h TRP 111 CO 0.04 0.50 0.50 -0.09 -2.79 0.00 0.00 178.44 176.61 3a67 h ARG 112 N 0.49 0.99 0.05 2.65 2.43 -0.84 0.33 114.38 120.49 3a67 h ARG 112 Ca 0.13 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 59.00 3a67 h ARG 112 Cb 0.15 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3a67 h ARG 112 CO -0.01 0.66 -1.19 -0.91 -1.51 0.00 0.00 179.97 177.00 3a67 h ASN 113 N 1.02 0.16 0.00 -3.80 -0.26 -0.87 -3.36 115.58 108.47 3a67 h ASN 113 Ca 0.28 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3a67 h ASN 113 Cb -0.10 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.11 3a67 h ASN 113 CO -0.07 1.15 -0.37 0.54 -1.06 0.00 0.00 177.43 177.62 3a67 n ARG 114 N -3.39 4.67 -0.03 0.81 5.12 1.00 -4.88 116.66 119.97 3a67 n ARG 114 Ca -0.06 -0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.80 3a67 n ARG 114 Cb 0.99 -0.76 -0.02 0.00 -1.16 0.00 0.00 32.46 31.50 3a67 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a67 n LYS 116 N -3.11 2.25 -0.16 0.00 4.81 0.20 -1.08 118.16 121.06 3a67 n LYS 116 Ca -0.10 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 3a67 n LYS 116 Cb 0.58 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 33.00 3a67 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a67 n GLY 117 N 3.90 1.00 3.96 3.14 0.00 -1.26 -4.92 105.19 111.01 3a67 n GLY 117 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 3a67 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a67 s THR 118 N -2.57 2.72 -1.26 2.61 -4.23 -0.24 -5.00 115.64 107.67 3a67 s THR 118 Ca 0.00 -1.15 -0.19 0.00 -1.18 0.00 0.00 61.69 59.17 3a67 s THR 118 Cb 0.00 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.99 3a67 s THR 118 CO 0.00 0.00 1.81 -0.67 -0.54 0.00 0.00 174.62 175.22 3a67 n ASP 119 N -1.78 4.32 0.26 3.99 2.03 -1.26 -4.77 116.55 119.33 3a67 n ASP 119 Ca 0.07 -2.85 0.11 0.00 0.52 0.00 0.00 54.79 52.64 3a67 n ASP 119 Cb 0.61 -1.74 0.70 0.00 -0.72 0.00 0.00 41.12 39.96 3a67 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a67 h VAL 120 N 5.72 0.69 0.00 5.18 -1.51 -1.91 -2.31 116.25 122.10 3a67 h VAL 120 Ca 0.38 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 3a67 h VAL 120 Cb 0.89 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 3a67 h VAL 120 CO 1.40 0.12 0.00 -0.61 -1.23 0.00 0.00 177.57 177.24 3a67 h GLN 121 N 0.00 0.00 0.00 5.19 5.75 -1.87 -1.36 115.11 122.82 3a67 h GLN 121 Ca -0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a67 h GLN 121 Cb 0.29 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 3a67 h GLN 121 CO 0.02 0.00 -0.01 0.00 -2.65 0.00 0.00 178.83 176.19 3a67 h ALA 122 N 2.06 1.65 0.00 3.38 0.00 -1.81 -1.52 119.26 123.02 3a67 h ALA 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a67 h ALA 122 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3a67 h ALA 122 CO 0.00 0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.17 3a67 n TRP 123 N -4.03 0.00 0.06 0.00 7.02 -0.51 -2.78 117.44 117.19 3a67 n TRP 123 Ca -0.03 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.46 3a67 n TRP 123 Cb 0.09 -0.44 0.00 0.00 -2.42 0.00 0.00 31.31 28.54 3a67 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3a67 n ILE 124 N -1.44 0.00 -2.42 -0.99 -5.35 -0.59 -4.83 119.36 103.74 3a67 n ILE 124 Ca 0.05 -0.50 -0.33 0.00 -0.27 0.00 0.00 62.75 61.71 3a67 n ILE 124 Cb 0.19 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 39.08 3a67 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3a67 s ARG 125 N -0.28 3.76 -0.60 6.28 0.52 -1.12 -3.56 118.95 123.96 3a67 s ARG 125 Ca 0.01 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 3a67 s ARG 125 Cb 0.01 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.38 3a67 s ARG 125 CO 0.02 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.31 3a67 n GLY 126 N -0.77 0.60 3.26 -3.53 0.00 -1.26 -5.03 105.19 98.46 3a67 n GLY 126 Ca 0.08 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 3a67 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a67 s ARG 128 N -1.23 3.90 0.00 0.00 1.81 -1.26 -5.14 118.95 117.02 3a67 s ARG 128 Ca 0.08 0.57 0.00 0.00 -1.72 0.00 0.00 55.73 54.66 3a67 s ARG 128 Cb -0.09 -3.77 0.00 0.00 -0.45 0.00 0.00 34.95 30.64 3a67 s ARG 128 CO 0.02 -0.80 0.49 1.28 -0.68 0.00 0.00 175.30 175.61