#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj0 s VAL 2 N 0.00 4.84 0.63 3.15 1.01 -1.26 -1.37 120.40 127.40 1jj0 s VAL 2 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1jj0 s VAL 2 Cb 0.00 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1jj0 s VAL 2 CO 0.00 -0.24 1.06 -0.36 0.00 0.00 0.00 175.10 175.56 1jj0 s PHE 3 N 1.61 3.04 0.41 5.22 0.40 -0.25 -4.99 117.98 123.41 1jj0 s PHE 3 Ca 0.03 1.48 -0.04 0.00 -0.60 0.00 0.00 56.93 57.80 1jj0 s PHE 3 Cb -0.19 -2.96 -0.04 0.00 0.51 0.00 0.00 43.02 40.34 1jj0 s PHE 3 CO 0.08 -1.13 0.69 0.20 0.70 0.00 0.00 175.22 175.75 1jj0 s GLY 4 N -3.12 1.55 0.11 4.36 0.00 -1.26 -4.86 107.32 104.09 1jj0 s GLY 4 Ca 0.62 -0.59 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 1jj0 s GLY 4 CO 0.43 -0.46 1.61 -0.09 0.00 0.00 0.00 173.10 174.59 1jj0 h ARG 5 N 0.69 -0.63 -0.26 2.90 2.43 -1.97 -1.19 114.38 116.35 1jj0 h ARG 5 Ca -0.48 0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.61 1jj0 h ARG 5 Cb 1.20 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1jj0 h ARG 5 CO 0.62 -0.42 -0.34 0.00 -1.51 0.00 0.00 179.97 178.33 1jj0 h GLU 7 N 0.48 0.87 -0.41 0.00 4.81 -1.90 -1.59 114.58 116.83 1jj0 h GLU 7 Ca 0.05 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1jj0 h GLU 7 Cb 0.82 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1jj0 h GLU 7 CO 0.07 0.58 -0.34 1.25 -0.73 0.00 0.00 179.01 179.83 1jj0 h LEU 8 N 0.90 1.01 -0.83 1.64 5.85 -1.09 -2.23 115.31 120.56 1jj0 h LEU 8 Ca 0.29 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1jj0 h LEU 8 Cb 0.01 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 1jj0 h LEU 8 CO -0.10 1.24 0.53 0.00 -0.34 0.00 0.00 178.44 179.77 1jj0 h ALA 9 N 0.80 1.11 -0.52 1.25 0.00 -1.04 0.59 119.26 121.44 1jj0 h ALA 9 Ca 0.07 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1jj0 h ALA 9 Cb 0.93 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1jj0 h ALA 9 CO 0.09 0.33 -0.12 0.00 0.00 0.00 0.00 179.25 179.55 1jj0 h ALA 10 N 1.36 0.71 -0.40 0.00 0.00 -1.20 -1.19 119.26 118.54 1jj0 h ALA 10 Ca 0.34 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1jj0 h ALA 10 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1jj0 h ALA 10 CO -0.13 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.82 1jj0 h ALA 11 N 0.91 0.53 -0.61 0.00 0.00 -0.76 -1.65 119.26 117.68 1jj0 h ALA 11 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1jj0 h ALA 11 Cb 0.68 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jj0 h ALA 11 CO 0.05 0.24 0.00 0.52 0.00 0.00 0.00 179.25 180.06 1jj0 h MET 12 N 0.51 1.07 -0.53 0.00 2.86 -0.83 -2.22 114.93 115.80 1jj0 h MET 12 Ca 0.12 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1jj0 h MET 12 Cb 0.35 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1jj0 h MET 12 CO 0.01 1.04 0.30 -0.22 1.06 0.00 0.00 176.91 179.10 1jj0 h LYS 13 N 0.98 0.73 0.00 1.72 3.64 -1.06 -1.60 116.57 120.98 1jj0 h LYS 13 Ca 0.17 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1jj0 h LYS 13 Cb 0.56 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1jj0 h LYS 13 CO 0.03 0.55 -0.16 -0.09 -2.27 0.00 0.00 179.45 177.52 1jj0 h ARG 14 N 0.71 0.00 -0.53 1.90 2.43 -1.11 -1.33 114.38 116.44 1jj0 h ARG 14 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1jj0 h ARG 14 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1jj0 h ARG 14 CO -0.03 0.16 0.00 0.72 -1.51 0.00 0.00 179.97 179.30 1jj0 n HIS 15 N -4.02 0.69 -2.04 2.20 8.25 -0.67 -4.92 115.22 114.71 1jj0 n HIS 15 Ca -0.02 -0.29 -0.09 0.00 -0.26 0.00 0.00 57.72 57.06 1jj0 n HIS 15 Cb 0.24 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1jj0 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jj0 n GLY 16 N 0.78 0.15 0.12 -1.41 0.00 -0.50 -4.96 105.19 99.37 1jj0 n GLY 16 Ca 0.13 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.68 1jj0 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jj0 h LEU 17 N 0.00 0.00 -9.13 0.99 3.38 -1.54 -3.40 115.31 105.61 1jj0 h LEU 17 Ca -0.21 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.20 1jj0 h LEU 17 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1jj0 h LEU 17 CO 0.25 0.24 1.27 -0.62 0.09 0.00 0.00 178.44 179.67 1jj0 s ASP 18 N -5.70 6.13 -0.08 -0.43 2.15 -1.26 -1.40 116.67 116.09 1jj0 s ASP 18 Ca -0.00 2.07 0.00 0.00 0.43 0.00 0.00 52.55 55.05 1jj0 s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1jj0 s ASP 18 CO 0.78 -1.39 0.00 0.59 -0.17 0.00 0.00 175.17 174.98 1jj0 n ASN 19 N 9.08 -3.74 -4.65 -0.34 5.03 0.25 -4.87 115.26 116.00 1jj0 n ASN 19 Ca 0.22 0.02 -0.42 0.00 0.87 0.00 0.00 54.58 55.27 1jj0 n ASN 19 Cb 0.44 -1.30 -0.03 0.00 -1.02 0.00 0.00 39.78 37.86 1jj0 n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1jj0 s TYR 20 N -1.81 1.79 -1.71 3.10 5.04 -0.49 -1.41 117.35 121.87 1jj0 s TYR 20 Ca 0.00 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 1jj0 s TYR 20 Cb 0.00 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1jj0 s TYR 20 CO 0.00 -4.18 0.00 0.54 -1.34 0.00 0.00 175.55 170.57 1jj0 n ARG 21 N 7.34 -1.51 -0.78 4.97 5.12 -1.26 -2.32 116.66 128.23 1jj0 n ARG 21 Ca 0.18 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 57.08 1jj0 n ARG 21 Cb 0.43 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.22 1jj0 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jj0 n GLY 22 N -0.96 0.76 3.50 -0.13 0.00 -0.50 -5.03 105.19 102.84 1jj0 n GLY 22 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1jj0 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jj0 s TYR 23 N -2.86 3.23 0.73 1.61 2.02 -0.98 -4.90 117.35 116.20 1jj0 s TYR 23 Ca 0.00 -0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 56.20 1jj0 s TYR 23 Cb 0.00 -2.55 0.04 0.00 -0.40 0.00 0.00 41.96 39.05 1jj0 s TYR 23 CO 0.00 -0.46 1.19 -1.54 -1.57 0.00 0.00 175.55 173.17 1jj0 s SER 24 N 1.71 4.25 0.29 2.29 1.04 -1.26 -0.58 113.70 121.44 1jj0 s SER 24 Ca 0.06 2.31 0.04 0.00 0.48 0.00 0.00 55.95 58.84 1jj0 s SER 24 Cb -0.18 -2.58 0.73 0.00 0.10 0.00 0.00 66.02 64.09 1jj0 s SER 24 CO 0.11 -2.22 1.69 0.25 0.98 0.00 0.00 173.24 174.04 1jj0 h LEU 25 N -0.32 0.31 -1.53 2.42 5.85 -1.90 -0.56 115.31 119.59 1jj0 h LEU 25 Ca -0.47 0.16 0.18 0.00 0.84 0.00 0.00 57.88 58.59 1jj0 h LEU 25 Cb 1.29 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.40 1jj0 h LEU 25 CO 0.50 -0.01 0.56 1.23 -0.34 0.00 0.00 178.44 180.38 1jj0 h GLY 26 N 0.39 0.81 0.92 3.75 0.00 -1.91 -1.42 103.07 105.61 1jj0 h GLY 26 Ca 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1jj0 h GLY 26 CO -0.54 0.02 0.12 3.43 0.00 0.00 0.00 176.54 179.57 1jj0 h ASN 27 N 0.41 0.38 -0.52 0.19 2.35 -1.32 -1.02 115.58 116.05 1jj0 h ASN 27 Ca 0.43 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 1jj0 h ASN 27 Cb 1.05 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 1jj0 h ASN 27 CO -0.15 0.43 0.05 -0.50 -1.65 0.00 0.00 177.43 175.60 1jj0 h TRP 28 N 0.30 1.00 -0.37 1.19 4.06 -1.35 -0.22 115.95 120.56 1jj0 h TRP 28 Ca 0.09 -0.14 -0.15 0.00 2.06 0.00 0.00 58.89 60.75 1jj0 h TRP 28 Cb 0.16 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1jj0 h TRP 28 CO -0.01 0.87 -0.35 0.28 -3.56 0.00 0.00 178.44 175.67 1jj0 h VAL 29 N 0.88 1.28 -0.51 1.49 2.07 -1.32 -1.50 116.25 118.63 1jj0 h VAL 29 Ca 0.17 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1jj0 h VAL 29 Cb 0.45 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1jj0 h VAL 29 CO 0.02 0.51 0.21 0.00 0.02 0.00 0.00 177.57 178.32 1jj0 h ALA 31 N 1.06 0.38 -0.91 0.00 0.00 -0.91 -2.53 119.26 116.34 1jj0 h ALA 31 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jj0 h ALA 31 Cb 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1jj0 h ALA 31 CO -0.02 -0.14 0.51 0.00 0.00 0.00 0.00 179.25 179.61 1jj0 h ALA 32 N 1.08 1.18 0.06 0.00 0.00 -1.03 0.06 119.26 120.62 1jj0 h ALA 32 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jj0 h ALA 32 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1jj0 h ALA 32 CO -0.02 0.67 -0.07 -0.22 0.00 0.00 0.00 179.25 179.60 1jj0 h LYS 33 N 1.27 -0.15 0.00 0.00 1.63 -0.82 -1.90 116.57 116.60 1jj0 h LYS 33 Ca 0.32 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1jj0 h LYS 33 Cb 0.01 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1jj0 h LYS 33 CO -0.05 -0.10 -0.21 0.74 -3.45 0.00 0.00 179.45 176.38 1jj0 h PHE 34 N -0.15 0.00 0.19 1.91 0.04 -1.34 0.16 116.94 117.75 1jj0 h PHE 34 Ca 0.01 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.44 1jj0 h PHE 34 Cb 0.15 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.32 1jj0 h PHE 34 CO -0.11 0.00 -1.62 0.93 -0.60 0.00 0.00 178.31 176.91 1jj0 h GLU 35 N 0.00 0.39 0.00 1.51 4.39 -0.88 -3.43 114.58 116.56 1jj0 h GLU 35 Ca 0.00 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.03 1jj0 h GLU 35 Cb 0.85 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1jj0 h GLU 35 CO 0.00 1.30 0.00 -1.13 -1.16 0.00 0.00 179.01 178.02 1jj0 n SER 36 N -3.58 0.12 -3.21 1.42 3.41 -0.74 -4.83 113.62 106.20 1jj0 n SER 36 Ca -0.20 -1.01 -0.23 0.00 -0.26 0.00 0.00 58.87 57.17 1jj0 n SER 36 Cb 1.07 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 65.08 1jj0 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jj0 n ASN 37 N -0.00 -6.21 -0.94 4.04 5.15 0.56 -1.98 115.26 115.88 1jj0 n ASN 37 Ca 0.00 -0.38 -0.12 0.00 -0.60 0.00 0.00 54.58 53.47 1jj0 n ASN 37 Cb 0.25 -4.95 -0.05 0.00 -0.53 0.00 0.00 39.78 34.49 1jj0 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1jj0 n PHE 38 N -4.70 0.00 -3.48 1.20 3.72 -1.17 -4.84 117.46 108.19 1jj0 n PHE 38 Ca -0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.93 1jj0 n PHE 38 Cb 0.60 -2.54 -0.10 0.00 -0.94 0.00 0.00 39.48 36.50 1jj0 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jj0 s ASN 39 N -2.61 6.11 0.51 4.37 2.47 -0.84 -1.09 114.94 123.86 1jj0 s ASN 39 Ca 0.00 -0.27 0.34 0.00 0.42 0.00 0.00 52.86 53.35 1jj0 s ASN 39 Cb 0.00 -2.16 1.59 0.00 -1.45 0.00 0.00 41.25 39.22 1jj0 s ASN 39 CO 0.00 -0.25 2.01 0.71 -3.72 0.00 0.00 177.10 175.85 1jj0 h THR 40 N 5.49 0.00 -0.42 -5.21 1.35 -1.54 -2.81 112.91 109.77 1jj0 h THR 40 Ca -0.31 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1jj0 h THR 40 Cb 1.16 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1jj0 h THR 40 CO 0.65 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.92 1jj0 n GLN 41 N -2.84 2.17 -2.19 4.72 6.02 -1.26 -4.10 117.38 119.90 1jj0 n GLN 41 Ca -0.00 -1.79 -0.41 0.00 -0.01 0.00 0.00 57.00 54.78 1jj0 n GLN 41 Cb 0.19 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 1jj0 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jj0 s ALA 42 N -1.44 3.54 0.02 -1.58 0.00 -1.06 -4.84 121.76 116.39 1jj0 s ALA 42 Ca 0.35 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1jj0 s ALA 42 Cb 0.19 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1jj0 s ALA 42 CO 0.26 -0.57 -0.05 0.95 0.00 0.00 0.00 175.76 176.34 1jj0 s THR 43 N 0.08 0.39 -0.15 0.00 -4.23 -1.26 -1.31 115.64 109.16 1jj0 s THR 43 Ca 0.57 -0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 60.41 1jj0 s THR 43 Cb -0.37 -0.41 0.06 0.00 1.34 0.00 0.00 72.50 73.12 1jj0 s THR 43 CO 0.39 -0.14 0.34 0.20 -0.54 0.00 0.00 174.62 174.87 1jj0 s ASN 44 N -0.79 -0.30 0.07 3.99 -0.87 -0.90 -4.98 114.94 111.16 1jj0 s ASN 44 Ca -0.04 0.75 -0.14 0.00 -1.57 0.00 0.00 52.86 51.85 1jj0 s ASN 44 Cb -0.06 0.72 -0.06 0.00 -0.02 0.00 0.00 41.25 41.83 1jj0 s ASN 44 CO -0.00 -0.19 0.47 -0.60 -2.57 0.00 0.00 177.10 174.21 1jj0 s ARG 45 N 1.63 3.94 0.40 -0.60 3.52 -1.26 -0.04 118.95 126.54 1jj0 s ARG 45 Ca -0.07 0.43 0.08 0.00 -0.13 0.00 0.00 55.73 56.04 1jj0 s ARG 45 Cb -0.10 -3.09 -0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1jj0 s ARG 45 CO -0.11 0.60 0.48 -0.80 -0.81 0.00 0.00 175.30 174.65 1jj0 s ASN 46 N -1.41 5.46 0.39 -2.12 -0.87 0.16 -4.97 114.94 111.58 1jj0 s ASN 46 Ca 0.30 -0.51 0.07 0.00 -1.57 0.00 0.00 52.86 51.16 1jj0 s ASN 46 Cb -0.16 -0.71 0.81 0.00 -0.02 0.00 0.00 41.25 41.17 1jj0 s ASN 46 CO 0.17 -0.66 2.00 0.71 -2.57 0.00 0.00 177.10 176.74 1jj0 h THR 47 N 0.84 1.04 0.00 1.60 1.35 -1.99 -2.31 112.91 113.43 1jj0 h THR 47 Ca -0.41 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1jj0 h THR 47 Cb 1.27 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1jj0 h THR 47 CO 0.51 0.12 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 1jj0 n ASP 48 N -4.47 0.00 0.00 5.36 5.75 -1.26 -4.85 116.55 117.07 1jj0 n ASP 48 Ca 0.08 -0.78 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1jj0 n ASP 48 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1jj0 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jj0 n GLY 49 N 0.49 1.40 3.89 6.12 0.00 -0.87 -5.06 105.19 111.16 1jj0 n GLY 49 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1jj0 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jj0 s SER 50 N -1.74 4.47 0.02 1.61 1.04 -1.26 -4.78 113.70 113.07 1jj0 s SER 50 Ca 0.00 0.82 0.02 0.00 0.48 0.00 0.00 55.95 57.27 1jj0 s SER 50 Cb 0.00 -1.33 -0.02 0.00 0.10 0.00 0.00 66.02 64.77 1jj0 s SER 50 CO 0.00 -1.93 -0.07 -0.89 0.98 0.00 0.00 173.24 171.33 1jj0 s THR 51 N -3.54 0.53 -0.16 2.02 2.01 -1.26 -0.67 115.64 114.57 1jj0 s THR 51 Ca 0.62 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 1jj0 s THR 51 Cb -0.11 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1jj0 s THR 51 CO 0.50 -0.16 0.13 -1.81 -0.69 0.00 0.00 174.62 172.59 1jj0 s ASP 52 N -0.97 6.22 -0.01 3.53 1.01 0.94 -0.96 116.67 126.43 1jj0 s ASP 52 Ca -0.04 0.32 0.06 0.00 0.71 0.00 0.00 52.55 53.60 1jj0 s ASP 52 Cb -0.07 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 1jj0 s ASP 52 CO 0.00 0.29 -0.19 -0.31 0.21 0.00 0.00 175.17 175.17 1jj0 s TYR 53 N -0.31 1.70 0.00 4.23 1.51 0.34 -2.12 117.35 122.70 1jj0 s TYR 53 Ca 0.11 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1jj0 s TYR 53 Cb -0.12 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1jj0 s TYR 53 CO 0.01 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 1jj0 n GLY 54 N 2.50 -2.22 0.32 0.71 0.00 -0.43 -0.78 105.19 105.29 1jj0 n GLY 54 Ca -0.15 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.49 1jj0 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jj0 h ILE 55 N 0.00 0.86 -0.29 -0.61 2.10 -1.71 -1.28 117.51 116.57 1jj0 h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1jj0 h ILE 55 Cb 0.00 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1jj0 h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1jj0 n LEU 56 N -4.44 3.09 -3.72 2.19 4.77 -1.26 -4.12 117.00 113.51 1jj0 n LEU 56 Ca 0.03 -2.28 -0.28 0.00 -0.03 0.00 0.00 56.01 53.45 1jj0 n LEU 56 Cb 0.34 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1jj0 n LEU 56 CO 0.35 0.70 -0.09 0.00 -1.33 0.00 0.00 177.39 177.02 1jj0 n GLN 57 N 0.15 -1.12 -2.61 3.23 1.13 -0.48 -4.90 117.38 112.78 1jj0 n GLN 57 Ca 0.13 0.61 -0.42 0.00 -1.94 0.00 0.00 57.00 55.38 1jj0 n GLN 57 Cb 0.54 -3.42 -0.03 0.00 0.11 0.00 0.00 30.24 27.43 1jj0 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jj0 s ILE 58 N -3.26 4.59 0.19 5.09 -1.09 0.04 -4.39 121.20 122.37 1jj0 s ILE 58 Ca 0.27 1.87 -0.30 0.00 -2.23 0.00 0.00 60.65 60.25 1jj0 s ILE 58 Cb -0.12 -4.20 -0.08 0.00 -1.58 0.00 0.00 42.46 36.49 1jj0 s ILE 58 CO 0.88 0.06 1.00 0.21 -1.23 0.00 0.00 174.94 175.87 1jj0 s ASN 59 N 1.15 7.48 0.25 3.58 3.84 -1.26 -0.51 114.94 129.47 1jj0 s ASN 59 Ca 0.53 1.97 0.25 0.00 0.21 0.00 0.00 52.86 55.82 1jj0 s ASN 59 Cb -0.22 -2.60 0.89 0.00 -0.55 0.00 0.00 41.25 38.77 1jj0 s ASN 59 CO 0.23 -0.03 1.75 0.77 -2.79 0.00 0.00 177.10 177.04 1jj0 h SER 60 N 4.75 0.00 0.41 -4.21 4.64 -1.28 -2.12 113.55 115.73 1jj0 h SER 60 Ca -0.44 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 1jj0 h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1jj0 h SER 60 CO 0.70 0.00 -0.55 -0.09 -0.87 0.00 0.00 176.83 176.02 1jj0 h ARG 61 N 0.00 0.15 0.00 4.77 2.43 -1.84 -3.40 114.38 116.50 1jj0 h ARG 61 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1jj0 h ARG 61 Cb 0.57 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1jj0 h ARG 61 CO 0.00 0.66 -0.81 0.91 -1.51 0.00 0.00 179.97 179.22 1jj0 n TRP 62 N -3.91 0.00 -0.07 2.20 7.02 -1.22 -0.32 117.44 121.13 1jj0 n TRP 62 Ca -0.02 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.42 1jj0 n TRP 62 Cb 0.57 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.30 1jj0 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1jj0 n TRP 63 N -1.81 0.00 -4.06 -5.99 7.02 -0.80 -0.86 117.44 110.94 1jj0 n TRP 63 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1jj0 n TRP 63 Cb 0.41 -0.83 -0.09 0.00 -2.42 0.00 0.00 31.31 28.38 1jj0 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jj0 s ASN 65 N -3.01 4.99 0.00 0.00 2.47 -0.67 -4.53 114.94 114.19 1jj0 s ASN 65 Ca 0.21 -0.17 0.03 0.00 0.42 0.00 0.00 52.86 53.36 1jj0 s ASN 65 Cb 0.05 -1.86 0.09 0.00 -1.45 0.00 0.00 41.25 38.08 1jj0 s ASN 65 CO 0.01 0.06 1.00 -0.90 -3.72 0.00 0.00 177.10 173.55 1jj0 n ASP 66 N 4.31 2.13 0.00 -4.21 5.68 -1.26 -0.98 116.55 122.22 1jj0 n ASP 66 Ca -0.17 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 1jj0 n ASP 66 Cb 0.52 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1jj0 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jj0 n GLY 67 N -0.12 0.31 0.25 6.12 0.00 -1.26 -4.78 105.19 105.71 1jj0 n GLY 67 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1jj0 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jj0 n ARG 68 N -1.35 0.55 -3.92 1.61 1.85 -1.26 -4.93 116.66 109.22 1jj0 n ARG 68 Ca 0.00 -1.26 -0.29 0.00 -1.00 0.00 0.00 57.85 55.29 1jj0 n ARG 68 Cb 0.14 -0.75 -0.13 0.00 -1.05 0.00 0.00 32.46 30.67 1jj0 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1jj0 s THR 69 N -0.69 2.80 0.36 8.89 2.01 -1.26 -4.93 115.64 122.82 1jj0 s THR 69 Ca 0.07 -3.79 -0.28 0.00 0.31 0.00 0.00 61.69 58.00 1jj0 s THR 69 Cb 0.06 -2.88 -0.12 0.00 0.01 0.00 0.00 72.50 69.57 1jj0 s THR 69 CO 0.01 -0.91 1.34 -0.81 -0.69 0.00 0.00 174.62 173.56 1jj0 n PRO 70 N 2.55 2.26 -1.01 4.92 -0.04 -1.26 -2.41 135.00 140.02 1jj0 n PRO 70 Ca 0.12 0.79 -0.00 0.00 -0.04 0.00 0.00 63.50 64.38 1jj0 n PRO 70 Cb 0.34 -2.43 -0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1jj0 n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jj0 n GLY 71 N 0.68 0.33 3.91 0.55 0.00 -1.26 -5.00 105.19 104.41 1jj0 n GLY 71 Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1jj0 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jj0 s SER 72 N -2.03 6.12 0.40 1.61 1.04 -1.01 -5.07 113.70 114.75 1jj0 s SER 72 Ca 0.00 0.82 0.08 0.00 0.48 0.00 0.00 55.95 57.33 1jj0 s SER 72 Cb 0.00 -2.10 -0.00 0.00 0.10 0.00 0.00 66.02 64.02 1jj0 s SER 72 CO 0.00 -0.66 0.48 -0.13 0.98 0.00 0.00 173.24 173.92 1jj0 s ARG 73 N -4.75 2.80 -0.43 4.02 0.52 0.56 -4.98 118.95 116.69 1jj0 s ARG 73 Ca 0.48 -1.28 0.10 0.00 -0.52 0.00 0.00 55.73 54.52 1jj0 s ARG 73 Cb -0.10 -2.65 0.36 0.00 0.52 0.00 0.00 34.95 33.07 1jj0 s ARG 73 CO 0.44 -0.17 0.81 -1.71 0.02 0.00 0.00 175.30 174.70 1jj0 n ASN 74 N -1.70 1.98 -0.08 0.23 5.15 -1.23 -3.94 115.26 115.66 1jj0 n ASN 74 Ca 0.05 -3.20 0.24 0.00 -0.60 0.00 0.00 54.58 51.07 1jj0 n ASN 74 Cb 0.60 -0.59 0.70 0.00 -0.53 0.00 0.00 39.78 39.95 1jj0 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1jj0 h LEU 75 N 2.98 0.01 -1.19 1.20 -0.00 -1.09 0.20 115.31 117.43 1jj0 h LEU 75 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1jj0 h LEU 75 Cb 0.85 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1jj0 h LEU 75 CO 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 178.44 179.03 1jj0 n ASN 77 N 0.44 -3.15 -3.73 0.00 4.13 0.72 -4.99 115.26 108.68 1jj0 n ASN 77 Ca 0.17 -1.06 -0.13 0.00 1.68 0.00 0.00 54.58 55.24 1jj0 n ASN 77 Cb 0.42 -2.96 -0.08 0.00 -1.54 0.00 0.00 39.78 35.62 1jj0 n ASN 77 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1jj0 s ILE 78 N -3.68 0.06 0.31 2.41 -4.36 -1.26 -5.07 121.20 109.59 1jj0 s ILE 78 Ca 0.29 -0.46 -0.29 0.00 -0.26 0.00 0.00 60.65 59.94 1jj0 s ILE 78 Cb -0.12 -0.71 -0.10 0.00 1.25 0.00 0.00 42.46 42.78 1jj0 s ILE 78 CO 0.89 -0.25 1.14 -2.84 0.24 0.00 0.00 174.94 174.11 1jj0 s PRO 79 N -1.55 4.51 0.45 0.37 0.02 -1.26 -1.66 135.00 135.87 1jj0 s PRO 79 Ca -0.12 1.86 0.14 0.00 0.02 0.00 0.00 61.00 62.91 1jj0 s PRO 79 Cb -0.04 -3.09 1.06 0.00 0.02 0.00 0.00 34.50 32.46 1jj0 s PRO 79 CO 0.03 0.08 1.99 0.00 -0.33 0.00 0.00 177.00 178.78 1jj0 h SER 81 N 0.36 0.00 0.25 0.00 4.64 -1.90 0.66 113.55 117.55 1jj0 h SER 81 Ca 0.25 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1jj0 h SER 81 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1jj0 h SER 81 CO -0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.80 1jj0 h ALA 82 N 1.87 1.39 0.00 5.18 0.00 -1.53 -1.98 119.26 124.18 1jj0 h ALA 82 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jj0 h ALA 82 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jj0 h ALA 82 CO -0.00 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1jj0 n LEU 83 N -3.77 0.00 -0.92 0.00 4.77 0.22 -3.32 117.00 113.99 1jj0 n LEU 83 Ca -0.02 0.11 0.11 0.00 -0.03 0.00 0.00 56.01 56.18 1jj0 n LEU 83 Cb 0.19 -0.11 0.11 0.00 -2.33 0.00 0.00 43.42 41.28 1jj0 n LEU 83 CO 0.30 -0.00 0.61 0.18 -1.33 0.00 0.00 177.39 177.15 1jj0 n LEU 84 N -1.11 2.93 -4.73 2.23 4.77 -0.75 -4.01 117.00 116.33 1jj0 n LEU 84 Ca 0.20 -1.07 -0.32 0.00 -0.03 0.00 0.00 56.01 54.79 1jj0 n LEU 84 Cb 0.16 -0.03 0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1jj0 n LEU 84 CO 0.20 0.52 0.72 -0.55 -1.33 0.00 0.00 177.39 176.94 1jj0 s SER 85 N -1.80 4.04 0.49 -1.43 0.15 -1.21 -4.23 113.70 109.70 1jj0 s SER 85 Ca 0.27 2.07 0.28 0.00 0.70 0.00 0.00 55.95 59.27 1jj0 s SER 85 Cb 0.19 -2.55 0.97 0.00 -1.71 0.00 0.00 66.02 62.92 1jj0 s SER 85 CO 0.28 -2.35 1.84 0.77 1.20 0.00 0.00 173.24 174.98 1jj0 h SER 86 N -1.03 0.00 -3.45 5.45 4.64 -1.93 -3.40 113.55 113.83 1jj0 h SER 86 Ca -0.45 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.27 1jj0 h SER 86 Cb 1.26 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.24 1jj0 h SER 86 CO 0.48 0.07 0.37 -0.62 -0.87 0.00 0.00 176.83 176.27 1jj0 s ASP 87 N -5.96 6.64 0.00 4.97 -1.08 -1.26 -4.94 116.67 115.05 1jj0 s ASP 87 Ca 0.02 0.63 0.24 0.00 -0.52 0.00 0.00 52.55 52.93 1jj0 s ASP 87 Cb 0.08 -2.40 1.34 0.00 -1.46 0.00 0.00 42.92 40.49 1jj0 s ASP 87 CO 0.60 -0.60 1.88 2.30 0.52 0.00 0.00 175.17 179.87 1jj0 n ILE 88 N 5.53 0.02 -0.16 4.11 -5.35 -1.26 -4.35 119.36 117.90 1jj0 n ILE 88 Ca 0.03 -0.05 -0.04 0.00 -0.27 0.00 0.00 62.75 62.42 1jj0 n ILE 88 Cb 0.48 -0.24 0.03 0.00 -1.74 0.00 0.00 39.64 38.17 1jj0 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jj0 h THR 89 N 0.40 0.38 -0.45 7.28 2.02 -1.94 -0.11 112.91 120.48 1jj0 h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1jj0 h THR 89 Cb 0.09 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1jj0 h THR 89 CO 0.00 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.16 1jj0 h ALA 90 N 1.32 0.58 -0.73 6.16 0.00 -1.87 -1.15 119.26 123.56 1jj0 h ALA 90 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1jj0 h ALA 90 Cb 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1jj0 h ALA 90 CO -0.56 -0.04 0.35 0.77 0.00 0.00 0.00 179.25 179.78 1jj0 h SER 91 N 0.55 0.95 -0.12 0.00 0.02 -1.66 -2.22 113.55 111.07 1jj0 h SER 91 Ca 0.18 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1jj0 h SER 91 Cb 0.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1jj0 h SER 91 CO -0.08 0.82 0.03 0.58 -1.14 0.00 0.00 176.83 177.04 1jj0 h VAL 92 N 1.02 1.19 -0.61 2.27 2.07 -0.64 -0.08 116.25 121.46 1jj0 h VAL 92 Ca 0.25 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1jj0 h VAL 92 Cb 0.12 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1jj0 h VAL 92 CO -0.03 0.17 0.28 0.78 0.02 0.00 0.00 177.57 178.79 1jj0 h ASN 93 N 0.00 0.79 -0.24 0.57 2.35 -1.15 -1.04 115.58 116.87 1jj0 h ASN 93 Ca 0.04 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 1jj0 h ASN 93 Cb 0.23 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1jj0 h ASN 93 CO -0.00 0.68 -0.39 0.00 -1.65 0.00 0.00 177.43 176.08 1jj0 h ALA 95 N 0.64 1.67 -0.49 0.00 0.00 -0.58 -1.02 119.26 119.49 1jj0 h ALA 95 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1jj0 h ALA 95 Cb 0.98 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1jj0 h ALA 95 CO 0.09 0.28 0.17 0.87 0.00 0.00 0.00 179.25 180.66 1jj0 h LYS 96 N 0.69 0.71 -0.01 0.00 1.57 -1.05 -0.79 116.57 117.69 1jj0 h LYS 96 Ca 0.22 -0.11 -0.24 0.00 -1.87 0.00 0.00 60.65 58.65 1jj0 h LYS 96 Cb 0.02 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.22 1jj0 h LYS 96 CO -0.05 0.61 -0.96 -0.22 -0.57 0.00 0.00 179.45 178.26 1jj0 h LYS 97 N 0.70 0.52 -0.22 3.15 3.64 -1.13 -3.04 116.57 120.19 1jj0 h LYS 97 Ca 0.17 -0.55 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1jj0 h LYS 97 Cb 0.18 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1jj0 h LYS 97 CO -0.01 1.18 0.11 0.82 -2.27 0.00 0.00 179.45 179.28 1jj0 h ILE 98 N 0.30 1.14 0.00 2.00 2.04 -0.92 -2.61 117.51 119.46 1jj0 h ILE 98 Ca -0.09 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1jj0 h ILE 98 Cb 1.60 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1jj0 h ILE 98 CO 0.18 0.13 0.00 1.62 0.00 0.00 0.00 178.15 180.08 1jj0 h VAL 99 N 0.23 0.00 -0.02 1.67 3.04 -1.22 -1.70 116.25 118.25 1jj0 h VAL 99 Ca 0.08 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1jj0 h VAL 99 Cb 0.12 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1jj0 h VAL 99 CO -0.01 0.00 -0.11 -1.20 -1.01 0.00 0.00 177.57 175.24 1jj0 n SER 100 N -2.41 2.22 0.26 3.17 7.64 -1.02 -3.82 113.62 119.66 1jj0 n SER 100 Ca 0.01 -1.67 0.11 0.00 1.01 0.00 0.00 58.87 58.34 1jj0 n SER 100 Cb 0.22 0.10 0.69 0.00 -1.01 0.00 0.00 64.21 64.21 1jj0 n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1jj0 h ASP 101 N 3.31 0.00 0.00 6.43 3.58 -0.95 -3.47 116.42 125.32 1jj0 h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1jj0 h ASP 101 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1jj0 h ASP 101 CO 0.00 0.12 0.00 0.61 -2.88 0.00 0.00 179.24 177.09 1jj0 n GLY 102 N -0.87 4.36 0.90 -0.78 0.00 -1.26 -4.95 105.19 102.58 1jj0 n GLY 102 Ca -0.02 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.39 1jj0 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jj0 n ASN 103 N 0.00 2.63 0.00 1.61 4.13 -1.26 -5.04 115.26 117.33 1jj0 n ASN 103 Ca 0.00 -1.94 0.00 0.00 1.68 0.00 0.00 54.58 54.32 1jj0 n ASN 103 Cb 0.00 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 1jj0 n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jj0 n GLY 104 N 1.31 2.86 0.00 7.41 0.00 -1.25 -2.31 105.19 113.21 1jj0 n GLY 104 Ca 0.17 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1jj0 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jj0 n MET 105 N 13.43 0.56 0.04 1.61 2.81 -1.26 -3.14 117.12 131.16 1jj0 n MET 105 Ca 0.00 0.03 0.06 0.00 -1.81 0.00 0.00 57.70 55.97 1jj0 n MET 105 Cb 0.00 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.27 1jj0 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jj0 n ASN 106 N -1.16 0.16 0.23 7.83 3.02 -0.98 -1.48 115.26 122.88 1jj0 n ASN 106 Ca 0.15 0.56 0.08 0.00 -0.03 0.00 0.00 54.58 55.34 1jj0 n ASN 106 Cb 0.15 -0.59 0.57 0.00 -0.61 0.00 0.00 39.78 39.31 1jj0 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jj0 h ALA 107 N 2.23 1.46 -2.24 5.41 0.00 -1.73 -3.38 119.26 121.01 1jj0 h ALA 107 Ca 0.00 -0.18 -0.68 0.00 0.00 0.00 0.00 54.91 54.06 1jj0 h ALA 107 Cb 0.15 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.73 1jj0 h ALA 107 CO 0.00 0.24 -0.02 -1.58 0.00 0.00 0.00 179.25 177.89 1jj0 s TRP 108 N -4.36 3.10 0.22 0.00 0.51 -0.55 -4.96 118.94 112.90 1jj0 s TRP 108 Ca -0.03 -0.28 -0.08 0.00 -2.12 0.00 0.00 56.10 53.58 1jj0 s TRP 108 Cb 0.14 -3.22 0.32 0.00 -0.81 0.00 0.00 33.47 29.91 1jj0 s TRP 108 CO 0.66 -0.84 1.74 0.28 -0.51 0.00 0.00 176.95 178.28 1jj0 h VAL 109 N 5.82 0.75 -0.45 4.03 2.07 -1.85 -1.83 116.25 124.78 1jj0 h VAL 109 Ca -0.26 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1jj0 h VAL 109 Cb 1.10 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1jj0 h VAL 109 CO 0.87 0.08 0.03 0.00 0.02 0.00 0.00 177.57 178.56 1jj0 h ALA 110 N 1.45 1.19 -0.22 1.67 0.00 -1.92 -1.45 119.26 119.98 1jj0 h ALA 110 Ca 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jj0 h ALA 110 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jj0 h ALA 110 CO -0.33 0.53 0.05 2.35 0.00 0.00 0.00 179.25 181.86 1jj0 h TRP 111 N 0.69 0.37 -0.74 0.00 7.01 -1.67 0.33 115.95 121.94 1jj0 h TRP 111 Ca 0.14 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.13 1jj0 h TRP 111 Cb 0.39 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 1jj0 h TRP 111 CO 0.02 0.46 0.47 -0.09 -2.79 0.00 0.00 178.44 176.51 1jj0 h ARG 112 N 0.18 0.89 0.00 2.65 2.43 -1.12 0.34 114.38 119.75 1jj0 h ARG 112 Ca 0.07 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1jj0 h ARG 112 Cb 0.27 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1jj0 h ARG 112 CO 0.00 0.59 -0.98 -0.91 -1.51 0.00 0.00 179.97 177.16 1jj0 h ASN 113 N 0.92 0.00 0.00 -3.80 2.35 -1.12 -3.38 115.58 110.55 1jj0 h ASN 113 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1jj0 h ASN 113 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1jj0 h ASN 113 CO -0.11 0.06 0.00 0.54 -1.65 0.00 0.00 177.43 176.27 1jj0 n ARG 114 N -2.73 3.28 -0.00 0.81 1.74 0.12 -4.89 116.66 114.98 1jj0 n ARG 114 Ca -0.01 -0.07 -0.01 0.00 -0.77 0.00 0.00 57.85 56.99 1jj0 n ARG 114 Cb 0.58 -0.43 -0.00 0.00 -1.02 0.00 0.00 32.46 31.58 1jj0 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jj0 n LYS 116 N -2.76 1.73 -1.00 0.00 4.81 0.10 -1.41 118.16 119.63 1jj0 n LYS 116 Ca -0.02 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1jj0 n LYS 116 Cb 0.52 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.20 1jj0 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jj0 n GLY 117 N 3.49 0.76 3.94 3.14 0.00 -1.26 -4.95 105.19 110.30 1jj0 n GLY 117 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1jj0 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jj0 s THR 118 N -3.04 2.28 -1.34 2.61 -4.23 -0.50 -5.00 115.64 106.42 1jj0 s THR 118 Ca 0.00 -1.26 -0.16 0.00 -1.18 0.00 0.00 61.69 59.09 1jj0 s THR 118 Cb 0.00 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.37 1jj0 s THR 118 CO 0.00 0.00 1.86 -0.67 -0.54 0.00 0.00 174.62 175.27 1jj0 n ASP 119 N -1.81 4.67 0.28 3.99 2.03 -1.26 -4.75 116.55 119.70 1jj0 n ASP 119 Ca 0.06 -2.91 0.19 0.00 0.52 0.00 0.00 54.79 52.65 1jj0 n ASP 119 Cb 0.62 -1.70 0.93 0.00 -0.72 0.00 0.00 41.12 40.26 1jj0 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1jj0 h VAL 120 N 4.97 0.00 0.00 5.18 -1.51 -1.90 -2.38 116.25 120.61 1jj0 h VAL 120 Ca 0.47 -0.17 -0.01 0.00 -1.23 0.00 0.00 66.70 65.76 1jj0 h VAL 120 Cb 0.80 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1jj0 h VAL 120 CO 1.57 0.00 -0.04 -0.61 -1.23 0.00 0.00 177.57 177.26 1jj0 h GLN 121 N 0.00 0.00 0.00 5.19 -0.00 -1.88 -1.22 115.11 117.20 1jj0 h GLN 121 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1jj0 h GLN 121 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.66 1jj0 h GLN 121 CO 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 178.83 178.87 1jj0 h ALA 122 N 1.96 1.06 0.00 3.38 0.00 -1.83 -2.13 119.26 121.70 1jj0 h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jj0 h ALA 122 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jj0 h ALA 122 CO 0.01 0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.17 1jj0 n TRP 123 N -3.17 0.78 0.04 0.00 7.02 -0.46 -3.16 117.44 118.49 1jj0 n TRP 123 Ca -0.03 0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.73 1jj0 n TRP 123 Cb 0.10 -0.95 0.00 0.00 -2.42 0.00 0.00 31.31 28.05 1jj0 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1jj0 n ILE 124 N -2.18 0.06 -1.84 -0.99 -5.35 -0.81 -4.82 119.36 103.42 1jj0 n ILE 124 Ca 0.03 -0.53 -0.40 0.00 -0.27 0.00 0.00 62.75 61.58 1jj0 n ILE 124 Cb 0.29 0.99 0.01 0.00 -1.74 0.00 0.00 39.64 39.19 1jj0 n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jj0 s ARG 125 N -0.14 3.91 0.00 6.28 1.70 -1.14 -1.89 118.95 127.67 1jj0 s ARG 125 Ca 0.01 2.44 0.00 0.00 -0.47 0.00 0.00 55.73 57.71 1jj0 s ARG 125 Cb 0.01 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.58 1jj0 s ARG 125 CO 0.01 -0.65 0.00 0.41 -1.08 0.00 0.00 175.30 174.00 1jj0 n GLY 126 N 0.55 1.92 3.84 3.88 0.00 -1.26 -5.02 105.19 109.11 1jj0 n GLY 126 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1jj0 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj0 s ARG 128 N -1.89 3.47 0.00 0.00 3.52 -1.26 -5.12 118.95 117.67 1jj0 s ARG 128 Ca 0.38 -1.79 0.15 0.00 -0.13 0.00 0.00 55.73 54.34 1jj0 s ARG 128 Cb -0.15 -4.64 0.12 0.00 -1.56 0.00 0.00 34.95 28.72 1jj0 s ARG 128 CO 0.19 -1.62 0.99 1.28 -0.81 0.00 0.00 175.30 175.33