#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj1 s VAL 2 N 0.00 3.43 0.46 0.58 1.01 -1.26 -1.77 120.40 122.85 1jj1 s VAL 2 Ca 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 1jj1 s VAL 2 Cb 0.00 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 1jj1 s VAL 2 CO 0.00 0.43 0.99 -0.36 0.00 0.00 0.00 175.10 176.15 1jj1 s PHE 3 N 1.39 3.19 0.34 5.22 0.40 -0.27 -5.02 117.98 123.23 1jj1 s PHE 3 Ca 0.05 1.59 -0.09 0.00 -0.60 0.00 0.00 56.93 57.87 1jj1 s PHE 3 Cb -0.14 -2.93 -0.06 0.00 0.51 0.00 0.00 43.02 40.39 1jj1 s PHE 3 CO -0.02 -0.43 0.67 0.20 0.70 0.00 0.00 175.22 176.34 1jj1 s GLY 4 N -2.18 1.99 0.14 4.36 0.00 -1.26 -4.83 107.32 105.54 1jj1 s GLY 4 Ca 0.64 -0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 1jj1 s GLY 4 CO 0.17 -0.15 1.58 -0.09 0.00 0.00 0.00 173.10 174.61 1jj1 h ARG 5 N 1.66 -0.42 -0.34 2.90 2.43 -1.97 -1.29 114.38 117.35 1jj1 h ARG 5 Ca -0.47 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 1jj1 h ARG 5 Cb 1.18 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1jj1 h ARG 5 CO 0.65 -0.28 -0.13 0.00 -1.51 0.00 0.00 179.97 178.71 1jj1 h GLU 7 N 0.55 1.07 -0.19 0.00 4.81 -1.85 -1.71 114.58 117.25 1jj1 h GLU 7 Ca 0.10 -0.17 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 1jj1 h GLU 7 Cb 0.54 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.74 1jj1 h GLU 7 CO 0.03 0.85 -0.69 1.25 -0.73 0.00 0.00 179.01 179.72 1jj1 h LEU 8 N 1.05 0.94 -0.69 1.64 5.85 -1.02 -2.44 115.31 120.65 1jj1 h LEU 8 Ca 0.25 -0.60 0.06 0.00 0.84 0.00 0.00 57.88 58.43 1jj1 h LEU 8 Cb 0.16 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 1jj1 h LEU 8 CO -0.03 1.38 0.40 0.00 -0.34 0.00 0.00 178.44 179.85 1jj1 h ALA 9 N 0.58 0.93 -0.65 1.25 0.00 -1.12 0.12 119.26 120.37 1jj1 h ALA 9 Ca -0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1jj1 h ALA 9 Cb 1.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1jj1 h ALA 9 CO 0.15 0.09 0.22 0.00 0.00 0.00 0.00 179.25 179.71 1jj1 h ALA 10 N 1.35 0.84 -0.36 0.00 0.00 -1.25 -1.21 119.26 118.64 1jj1 h ALA 10 Ca 0.30 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1jj1 h ALA 10 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jj1 h ALA 10 CO -0.17 0.50 -0.17 0.00 0.00 0.00 0.00 179.25 179.40 1jj1 h ALA 11 N 1.09 0.51 -0.39 0.00 0.00 -0.84 -1.29 119.26 118.34 1jj1 h ALA 11 Ca 0.21 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1jj1 h ALA 11 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jj1 h ALA 11 CO -0.01 0.44 -0.03 0.52 0.00 0.00 0.00 179.25 180.17 1jj1 h MET 12 N 0.54 0.63 -0.30 0.00 2.86 -0.67 -1.17 114.93 116.83 1jj1 h MET 12 Ca 0.08 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1jj1 h MET 12 Cb 0.71 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1jj1 h MET 12 CO 0.05 0.67 0.02 -0.22 1.06 0.00 0.00 176.91 178.49 1jj1 h LYS 13 N 0.59 0.51 -0.75 1.72 3.64 -1.07 -1.88 116.57 119.33 1jj1 h LYS 13 Ca 0.12 -0.15 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1jj1 h LYS 13 Cb 0.41 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1jj1 h LYS 13 CO 0.02 0.64 0.49 -0.09 -2.27 0.00 0.00 179.45 178.24 1jj1 h ARG 14 N 0.31 0.62 -0.53 1.90 2.43 -0.76 -1.24 114.38 117.12 1jj1 h ARG 14 Ca 0.09 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1jj1 h ARG 14 Cb 0.40 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1jj1 h ARG 14 CO 0.01 0.41 0.00 0.72 -1.51 0.00 0.00 179.97 179.60 1jj1 n HIS 15 N -4.50 0.67 -2.02 2.20 8.25 -0.48 -4.93 115.22 114.40 1jj1 n HIS 15 Ca 0.13 -0.28 -0.07 0.00 -0.26 0.00 0.00 57.72 57.24 1jj1 n HIS 15 Cb 0.35 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 1jj1 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jj1 n GLY 16 N 0.76 0.18 0.11 -1.41 0.00 -0.47 -4.95 105.19 99.41 1jj1 n GLY 16 Ca 0.12 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.64 1jj1 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jj1 h LEU 17 N 0.00 0.00 -9.02 0.99 3.38 -1.54 -3.40 115.31 105.72 1jj1 h LEU 17 Ca -0.16 -0.09 -0.57 0.00 0.09 0.00 0.00 57.88 57.15 1jj1 h LEU 17 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1jj1 h LEU 17 CO 0.19 0.04 1.25 -0.62 0.09 0.00 0.00 178.44 179.40 1jj1 s ASP 18 N -4.95 6.08 -0.41 -0.43 2.15 -1.26 -1.48 116.67 116.38 1jj1 s ASP 18 Ca 0.05 1.71 0.00 0.00 0.43 0.00 0.00 52.55 54.74 1jj1 s ASP 18 Cb 0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1jj1 s ASP 18 CO 0.72 -1.49 0.00 -3.20 -0.17 0.00 0.00 175.17 171.04 1jj1 n ASN 19 N 9.44 -3.87 -4.68 -0.34 4.05 0.95 -4.86 115.26 115.96 1jj1 n ASN 19 Ca 0.22 0.10 -0.42 0.00 0.45 0.00 0.00 54.58 54.92 1jj1 n ASN 19 Cb 0.45 -1.71 -0.03 0.00 1.23 0.00 0.00 39.78 39.72 1jj1 n ASN 19 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1jj1 s TYR 20 N -2.01 2.17 -1.50 1.20 5.04 -0.55 -1.19 117.35 120.51 1jj1 s TYR 20 Ca 0.00 0.20 -0.00 0.00 -2.44 0.00 0.00 57.07 54.83 1jj1 s TYR 20 Cb 0.00 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1jj1 s TYR 20 CO 0.00 -4.04 0.03 0.54 -1.34 0.00 0.00 175.55 170.74 1jj1 n ARG 21 N 6.25 -2.04 -0.68 4.97 5.12 -1.26 -2.05 116.66 126.97 1jj1 n ARG 21 Ca 0.17 0.85 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 1jj1 n ARG 21 Cb 0.41 -5.50 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 1jj1 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jj1 n GLY 22 N -0.96 0.75 3.41 -0.13 0.00 -0.34 -5.04 105.19 102.88 1jj1 n GLY 22 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1jj1 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jj1 s TYR 23 N -2.64 3.12 0.85 1.61 1.51 -0.87 -4.90 117.35 116.03 1jj1 s TYR 23 Ca 0.00 -0.62 -0.11 0.00 -1.01 0.00 0.00 57.07 55.33 1jj1 s TYR 23 Cb 0.00 -2.27 0.11 0.00 -0.11 0.00 0.00 41.96 39.69 1jj1 s TYR 23 CO 0.00 -0.45 1.14 -1.54 -1.11 0.00 0.00 175.55 173.60 1jj1 s SER 24 N 1.58 3.51 0.27 2.29 1.04 -1.26 -0.03 113.70 121.10 1jj1 s SER 24 Ca 0.05 2.12 -0.01 0.00 0.48 0.00 0.00 55.95 58.59 1jj1 s SER 24 Cb -0.16 -2.56 0.59 0.00 0.10 0.00 0.00 66.02 63.99 1jj1 s SER 24 CO 0.04 -2.71 1.66 0.25 0.98 0.00 0.00 173.24 173.46 1jj1 h LEU 25 N -1.44 -0.01 -1.44 2.42 6.46 -1.89 -1.55 115.31 117.86 1jj1 h LEU 25 Ca -0.44 0.18 0.20 0.00 -0.12 0.00 0.00 57.88 57.69 1jj1 h LEU 25 Cb 1.26 0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 41.36 1jj1 h LEU 25 CO 0.45 -0.10 0.60 1.23 -0.62 0.00 0.00 178.44 180.00 1jj1 h GLY 26 N 0.24 0.99 0.99 3.75 0.00 -1.91 -1.54 103.07 105.59 1jj1 h GLY 26 Ca 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1jj1 h GLY 26 CO -0.60 -0.00 0.21 3.43 0.00 0.00 0.00 176.54 179.57 1jj1 h ASN 27 N 0.47 0.38 -0.68 0.19 2.35 -1.50 0.41 115.58 117.20 1jj1 h ASN 27 Ca 0.48 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 56.12 1jj1 h ASN 27 Cb 1.11 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 1jj1 h ASN 27 CO -0.20 0.30 0.12 -0.50 -1.65 0.00 0.00 177.43 175.50 1jj1 h TRP 28 N 0.43 1.18 -0.35 1.19 4.06 -1.39 0.18 115.95 121.25 1jj1 h TRP 28 Ca 0.12 -0.16 -0.13 0.00 2.06 0.00 0.00 58.89 60.78 1jj1 h TRP 28 Cb -0.02 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 27.81 1jj1 h TRP 28 CO -0.05 0.98 -0.29 0.28 -3.56 0.00 0.00 178.44 175.81 1jj1 h VAL 29 N 1.04 1.29 -0.57 1.49 2.07 -1.30 -1.80 116.25 118.48 1jj1 h VAL 29 Ca 0.21 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1jj1 h VAL 29 Cb 0.43 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1jj1 h VAL 29 CO 0.01 0.48 0.34 0.00 0.02 0.00 0.00 177.57 178.42 1jj1 h ALA 31 N 1.17 0.64 -0.37 0.00 0.00 -0.82 -2.05 119.26 117.82 1jj1 h ALA 31 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1jj1 h ALA 31 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jj1 h ALA 31 CO -0.04 0.13 0.08 0.00 0.00 0.00 0.00 179.25 179.42 1jj1 h ALA 32 N 1.15 1.44 0.10 0.00 0.00 -0.92 0.46 119.26 121.49 1jj1 h ALA 32 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jj1 h ALA 32 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jj1 h ALA 32 CO -0.03 0.41 -0.05 -0.22 0.00 0.00 0.00 179.25 179.35 1jj1 h LYS 33 N 0.54 -0.13 0.00 0.00 1.63 -0.44 -1.65 116.57 116.52 1jj1 h LYS 33 Ca 0.13 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1jj1 h LYS 33 Cb 0.22 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1jj1 h LYS 33 CO -0.00 0.02 -0.42 0.74 -3.45 0.00 0.00 179.45 176.35 1jj1 h PHE 34 N -0.26 0.00 0.06 1.91 0.04 -1.31 0.19 116.94 117.57 1jj1 h PHE 34 Ca -0.01 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 1jj1 h PHE 34 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1jj1 h PHE 34 CO -0.03 0.00 -0.61 0.93 -0.60 0.00 0.00 178.31 178.00 1jj1 h GLU 35 N 0.00 0.13 0.00 1.51 4.39 -0.91 -3.42 114.58 116.28 1jj1 h GLU 35 Ca 0.00 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1jj1 h GLU 35 Cb 0.83 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1jj1 h GLU 35 CO 0.00 1.10 0.00 -1.13 -1.16 0.00 0.00 179.01 177.82 1jj1 n SER 36 N -4.34 0.47 -3.66 1.42 3.41 -0.82 -4.87 113.62 105.23 1jj1 n SER 36 Ca -0.16 -1.04 -0.25 0.00 -0.26 0.00 0.00 58.87 57.17 1jj1 n SER 36 Cb 0.67 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.69 1jj1 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jj1 n ASN 37 N -0.02 -5.17 -1.67 4.04 5.15 0.66 -1.94 115.26 116.30 1jj1 n ASN 37 Ca 0.00 -0.62 -0.20 0.00 -0.60 0.00 0.00 54.58 53.16 1jj1 n ASN 37 Cb 0.16 -4.71 -0.07 0.00 -0.53 0.00 0.00 39.78 34.63 1jj1 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1jj1 n PHE 38 N -4.78 -0.18 -3.36 1.20 3.72 -1.01 -4.85 117.46 108.19 1jj1 n PHE 38 Ca -0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 1jj1 n PHE 38 Cb 0.57 -3.45 -0.09 0.00 -0.94 0.00 0.00 39.48 35.57 1jj1 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jj1 s ASN 39 N -2.66 6.18 0.39 4.37 3.84 -0.82 -1.12 114.94 125.13 1jj1 s ASN 39 Ca 0.00 -0.61 0.28 0.00 0.21 0.00 0.00 52.86 52.74 1jj1 s ASN 39 Cb 0.00 -2.21 1.31 0.00 -0.55 0.00 0.00 41.25 39.80 1jj1 s ASN 39 CO 0.00 -0.51 1.84 0.71 -2.79 0.00 0.00 177.10 176.35 1jj1 h THR 40 N 5.67 0.00 -0.02 -5.21 1.35 -1.68 -3.06 112.91 109.97 1jj1 h THR 40 Ca -0.27 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1jj1 h THR 40 Cb 1.12 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1jj1 h THR 40 CO 0.76 0.00 -0.41 0.00 -0.25 0.00 0.00 175.52 175.62 1jj1 n GLN 41 N -2.53 1.27 -1.91 4.72 1.13 -1.26 -4.06 117.38 114.73 1jj1 n GLN 41 Ca 0.00 -1.02 -0.40 0.00 -1.94 0.00 0.00 57.00 53.64 1jj1 n GLN 41 Cb 0.17 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.04 1jj1 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jj1 s ALA 42 N -2.44 3.42 0.01 -1.58 0.00 -1.16 -4.78 121.76 115.23 1jj1 s ALA 42 Ca 0.20 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.54 1jj1 s ALA 42 Cb 0.18 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 1jj1 s ALA 42 CO 0.54 -0.96 0.07 0.95 0.00 0.00 0.00 175.76 176.36 1jj1 s THR 43 N -1.17 0.10 -0.11 0.00 -4.23 -1.26 -0.87 115.64 108.10 1jj1 s THR 43 Ca 0.55 -0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 60.20 1jj1 s THR 43 Cb -0.43 -0.41 0.05 0.00 1.34 0.00 0.00 72.50 73.05 1jj1 s THR 43 CO 0.57 -0.45 0.23 0.21 -0.54 0.00 0.00 174.62 174.64 1jj1 s ASN 44 N -1.48 0.04 0.21 3.99 3.84 -0.77 -4.95 114.94 115.80 1jj1 s ASN 44 Ca -0.14 0.50 -0.23 0.00 0.21 0.00 0.00 52.86 53.20 1jj1 s ASN 44 Cb -0.08 0.46 -0.08 0.00 -0.55 0.00 0.00 41.25 40.99 1jj1 s ASN 44 CO 0.00 -0.19 0.77 -0.13 -2.79 0.00 0.00 177.10 174.76 1jj1 s ARG 45 N 1.70 4.43 0.30 0.43 1.81 -1.26 -0.71 118.95 125.65 1jj1 s ARG 45 Ca -0.05 1.05 0.10 0.00 -1.72 0.00 0.00 55.73 55.11 1jj1 s ARG 45 Cb -0.11 -3.05 -0.05 0.00 -0.45 0.00 0.00 34.95 31.29 1jj1 s ARG 45 CO -0.08 0.47 -0.02 -0.80 -0.68 0.00 0.00 175.30 174.18 1jj1 s ASN 46 N -1.41 4.25 0.59 0.23 -0.87 0.15 -4.98 114.94 112.90 1jj1 s ASN 46 Ca 0.40 -0.85 0.30 0.00 -1.57 0.00 0.00 52.86 51.15 1jj1 s ASN 46 Cb -0.20 -0.63 1.81 0.00 -0.02 0.00 0.00 41.25 42.22 1jj1 s ASN 46 CO 0.24 -0.10 2.24 0.71 -2.57 0.00 0.00 177.10 177.62 1jj1 h THR 47 N 1.90 0.49 -0.30 1.60 1.35 -1.98 -2.17 112.91 113.80 1jj1 h THR 47 Ca -0.43 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1jj1 h THR 47 Cb 1.25 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1jj1 h THR 47 CO 0.63 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 1jj1 n ASP 48 N -3.76 1.61 0.00 5.36 5.75 -1.26 -4.88 116.55 119.37 1jj1 n ASP 48 Ca -0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1jj1 n ASP 48 Cb 0.10 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1jj1 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jj1 n GLY 49 N 0.97 1.49 3.92 6.12 0.00 -0.82 -4.69 105.19 112.19 1jj1 n GLY 49 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1jj1 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jj1 s SER 50 N -3.12 5.52 0.02 1.61 1.04 -1.26 -4.57 113.70 112.94 1jj1 s SER 50 Ca 0.00 0.69 0.03 0.00 0.48 0.00 0.00 55.95 57.15 1jj1 s SER 50 Cb 0.00 -1.65 -0.01 0.00 0.10 0.00 0.00 66.02 64.45 1jj1 s SER 50 CO 0.00 -1.11 -0.10 -0.89 0.98 0.00 0.00 173.24 172.12 1jj1 s THR 51 N -3.02 0.76 -0.18 2.02 2.01 -1.26 -0.67 115.64 115.29 1jj1 s THR 51 Ca 0.54 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 1jj1 s THR 51 Cb -0.11 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 1jj1 s THR 51 CO 0.45 0.01 0.15 -1.81 -0.69 0.00 0.00 174.62 172.73 1jj1 s ASP 52 N -0.77 6.26 -0.04 3.53 1.01 0.11 -1.06 116.67 125.70 1jj1 s ASP 52 Ca -0.00 0.30 0.07 0.00 0.71 0.00 0.00 52.55 53.62 1jj1 s ASP 52 Cb -0.06 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1jj1 s ASP 52 CO 0.00 0.20 -0.25 -0.31 0.21 0.00 0.00 175.17 175.02 1jj1 s TYR 53 N 0.18 2.37 0.01 4.23 1.51 -0.01 -1.85 117.35 123.79 1jj1 s TYR 53 Ca 0.10 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1jj1 s TYR 53 Cb -0.11 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1jj1 s TYR 53 CO -0.00 -0.16 0.00 0.41 -1.11 0.00 0.00 175.55 174.69 1jj1 n GLY 54 N 2.79 -2.08 0.32 0.71 0.00 -0.05 -1.69 105.19 105.19 1jj1 n GLY 54 Ca -0.17 -1.43 0.15 0.00 0.00 0.00 0.00 46.02 44.58 1jj1 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jj1 h ILE 55 N -0.03 0.66 -0.34 -0.61 2.10 -1.70 -0.66 117.51 116.93 1jj1 h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1jj1 h ILE 55 Cb 0.03 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.63 1jj1 h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1jj1 n LEU 56 N -4.10 2.90 -3.95 2.19 4.32 -1.26 -4.07 117.00 113.03 1jj1 n LEU 56 Ca 0.02 -2.00 -0.37 0.00 -0.02 0.00 0.00 56.01 53.64 1jj1 n LEU 56 Cb 0.31 -0.22 0.01 0.00 -1.62 0.00 0.00 43.42 41.89 1jj1 n LEU 56 CO 0.31 0.72 -0.18 0.00 -1.22 0.00 0.00 177.39 177.03 1jj1 n GLN 57 N 0.48 -1.11 -2.59 3.23 1.13 -0.26 -4.90 117.38 113.36 1jj1 n GLN 57 Ca 0.11 0.26 -0.42 0.00 -1.94 0.00 0.00 57.00 55.01 1jj1 n GLN 57 Cb 0.42 -3.49 -0.03 0.00 0.11 0.00 0.00 30.24 27.25 1jj1 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jj1 s ILE 58 N -3.66 4.51 0.10 5.09 1.01 -0.68 -4.41 121.20 123.15 1jj1 s ILE 58 Ca 0.37 1.81 -0.29 0.00 0.00 0.00 0.00 60.65 62.54 1jj1 s ILE 58 Cb -0.17 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 1jj1 s ILE 58 CO 0.92 0.15 0.92 0.21 0.00 0.00 0.00 174.94 177.14 1jj1 s ASN 59 N 0.98 7.44 0.00 3.58 3.84 -1.26 -0.83 114.94 128.68 1jj1 s ASN 59 Ca 0.54 1.72 0.21 0.00 0.21 0.00 0.00 52.86 55.54 1jj1 s ASN 59 Cb -0.25 -2.56 1.02 0.00 -0.55 0.00 0.00 41.25 38.91 1jj1 s ASN 59 CO 0.29 -0.05 1.66 -1.54 -2.79 0.00 0.00 177.10 174.67 1jj1 n SER 60 N 2.79 0.00 0.10 -4.21 3.41 -0.22 -1.57 113.62 113.91 1jj1 n SER 60 Ca 0.01 0.09 -0.21 0.00 -0.26 0.00 0.00 58.87 58.50 1jj1 n SER 60 Cb 0.49 -0.33 -0.15 0.00 -0.26 0.00 0.00 64.21 63.97 1jj1 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1jj1 h ARG 61 N 0.00 0.39 0.00 4.33 2.43 -1.84 -3.42 114.38 116.27 1jj1 h ARG 61 Ca 0.00 -0.66 -0.18 0.00 -0.81 0.00 0.00 59.98 58.33 1jj1 h ARG 61 Cb 0.22 0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1jj1 h ARG 61 CO 0.00 1.29 -1.67 0.91 -1.51 0.00 0.00 179.97 179.00 1jj1 n TRP 62 N -3.59 0.00 -0.11 2.20 7.02 -1.21 -1.25 117.44 120.50 1jj1 n TRP 62 Ca -0.17 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.16 1jj1 n TRP 62 Cb 1.07 -0.46 -0.11 0.00 -2.42 0.00 0.00 31.31 29.38 1jj1 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1jj1 n TRP 63 N -2.59 0.00 -4.30 -5.99 7.02 -0.61 -0.01 117.44 110.96 1jj1 n TRP 63 Ca -0.18 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.14 1jj1 n TRP 63 Cb 0.77 -0.90 -0.10 0.00 -2.42 0.00 0.00 31.31 28.66 1jj1 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jj1 s ASN 65 N -3.25 5.37 0.00 0.00 2.47 -0.48 -4.43 114.94 114.62 1jj1 s ASN 65 Ca 0.22 -0.08 0.06 0.00 0.42 0.00 0.00 52.86 53.47 1jj1 s ASN 65 Cb 0.03 -1.95 0.06 0.00 -1.45 0.00 0.00 41.25 37.94 1jj1 s ASN 65 CO 0.05 0.05 0.74 -0.90 -3.72 0.00 0.00 177.10 173.31 1jj1 n ASP 66 N 4.38 1.61 0.00 -4.21 5.68 -1.26 -1.20 116.55 121.54 1jj1 n ASP 66 Ca -0.16 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1jj1 n ASP 66 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1jj1 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jj1 n GLY 67 N 0.28 0.82 0.07 6.12 0.00 -1.26 -4.78 105.19 106.45 1jj1 n GLY 67 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 1jj1 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jj1 n ARG 68 N -2.00 1.68 -3.83 1.61 1.85 -1.26 -5.02 116.66 109.69 1jj1 n ARG 68 Ca 0.00 -1.58 -0.36 0.00 -1.00 0.00 0.00 57.85 54.91 1jj1 n ARG 68 Cb 0.00 -1.00 -0.13 0.00 -1.05 0.00 0.00 32.46 30.28 1jj1 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1jj1 s THR 69 N -1.26 3.98 0.29 8.89 2.01 -1.26 -4.91 115.64 123.38 1jj1 s THR 69 Ca 0.09 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1jj1 s THR 69 Cb 0.08 -2.84 -0.10 0.00 0.01 0.00 0.00 72.50 69.64 1jj1 s THR 69 CO 0.01 0.37 1.43 -2.84 -0.69 0.00 0.00 174.62 172.90 1jj1 s PRO 70 N 1.51 4.25 -0.91 4.92 0.02 -1.26 -3.11 135.00 140.42 1jj1 s PRO 70 Ca 0.06 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.43 1jj1 s PRO 70 Cb -0.15 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1jj1 s PRO 70 CO 0.01 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 1jj1 n GLY 71 N 1.56 0.64 3.77 0.52 0.00 -1.26 -4.94 105.19 105.48 1jj1 n GLY 71 Ca 0.04 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1jj1 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jj1 s SER 72 N -2.77 6.54 -0.04 1.61 0.15 -1.18 -4.83 113.70 113.18 1jj1 s SER 72 Ca 0.00 2.87 0.09 0.00 0.70 0.00 0.00 55.95 59.61 1jj1 s SER 72 Cb 0.00 -2.66 -0.13 0.00 -1.71 0.00 0.00 66.02 61.52 1jj1 s SER 72 CO 0.00 -0.72 0.13 0.54 1.20 0.00 0.00 173.24 174.39 1jj1 n ARG 73 N 0.79 1.24 -4.01 5.44 5.12 -0.38 -5.01 116.66 119.84 1jj1 n ARG 73 Ca 0.01 -0.05 -0.31 0.00 -1.93 0.00 0.00 57.85 55.57 1jj1 n ARG 73 Cb 0.40 -1.22 -0.02 0.00 -1.16 0.00 0.00 32.46 30.45 1jj1 n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1jj1 n ASN 74 N -2.03 -1.33 0.21 0.55 5.15 -1.07 -4.84 115.26 111.89 1jj1 n ASN 74 Ca -0.07 -1.12 0.15 0.00 -0.60 0.00 0.00 54.58 52.94 1jj1 n ASN 74 Cb 0.47 -2.56 0.69 0.00 -0.53 0.00 0.00 39.78 37.85 1jj1 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1jj1 h LEU 75 N -1.95 0.00 -0.81 1.20 -0.00 -0.43 -1.27 115.31 112.05 1jj1 h LEU 75 Ca -0.66 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 1jj1 h LEU 75 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1jj1 h LEU 75 CO 0.61 0.00 -0.38 0.00 -0.00 0.00 0.00 178.44 178.67 1jj1 n ASN 77 N -0.26 -2.66 -3.76 0.00 4.05 -0.48 -4.97 115.26 107.18 1jj1 n ASN 77 Ca 0.11 -0.95 -0.12 0.00 0.45 0.00 0.00 54.58 54.06 1jj1 n ASN 77 Cb 0.42 -3.53 -0.08 0.00 1.23 0.00 0.00 39.78 37.82 1jj1 n ASN 77 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1jj1 s ILE 78 N -3.68 0.07 0.47 -1.44 -4.36 -1.26 -5.07 121.20 105.93 1jj1 s ILE 78 Ca 0.20 -0.58 -0.21 0.00 -0.26 0.00 0.00 60.65 59.80 1jj1 s ILE 78 Cb -0.07 -0.75 -0.08 0.00 1.25 0.00 0.00 42.46 42.81 1jj1 s ILE 78 CO 0.85 -0.32 1.05 -2.16 0.24 0.00 0.00 174.94 174.61 1jj1 s PRO 79 N -1.87 3.85 0.46 0.37 0.04 -1.26 -1.38 135.00 135.22 1jj1 s PRO 79 Ca -0.10 1.44 0.21 0.00 0.04 0.00 0.00 61.00 62.59 1jj1 s PRO 79 Cb -0.03 -2.21 1.12 0.00 0.04 0.00 0.00 34.50 33.41 1jj1 s PRO 79 CO 0.01 -0.40 1.97 0.00 0.04 0.00 0.00 177.00 178.62 1jj1 h SER 81 N 0.00 0.00 0.77 0.00 4.64 -1.91 -0.08 113.55 116.97 1jj1 h SER 81 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jj1 h SER 81 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1jj1 h SER 81 CO 0.03 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 1jj1 h ALA 82 N 1.95 1.00 -0.01 5.18 0.00 -1.82 -2.41 119.26 123.15 1jj1 h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jj1 h ALA 82 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jj1 h ALA 82 CO 0.01 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.49 1jj1 n LEU 83 N -2.44 1.27 -2.03 0.00 4.77 -0.04 -3.86 117.00 114.67 1jj1 n LEU 83 Ca 0.02 -0.41 -0.25 0.00 -0.03 0.00 0.00 56.01 55.34 1jj1 n LEU 83 Cb 0.24 -0.03 0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1jj1 n LEU 83 CO 0.21 0.22 1.03 0.18 -1.33 0.00 0.00 177.39 177.69 1jj1 n LEU 84 N -0.08 6.31 -4.94 2.23 4.77 -0.91 -4.05 117.00 120.32 1jj1 n LEU 84 Ca 0.18 -4.16 -0.24 0.00 -0.03 0.00 0.00 56.01 51.76 1jj1 n LEU 84 Cb 0.33 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 1jj1 n LEU 84 CO 0.18 1.48 -0.08 -0.55 -1.33 0.00 0.00 177.39 177.10 1jj1 s SER 85 N -2.22 6.25 0.38 -1.43 0.15 -1.25 -4.80 113.70 110.77 1jj1 s SER 85 Ca 0.57 0.09 0.17 0.00 0.70 0.00 0.00 55.95 57.48 1jj1 s SER 85 Cb 0.47 -1.84 0.74 0.00 -1.71 0.00 0.00 66.02 63.68 1jj1 s SER 85 CO 0.02 -0.01 1.78 0.28 1.20 0.00 0.00 173.24 176.52 1jj1 h SER 86 N 1.68 0.00 -3.27 5.45 0.02 -1.94 -3.41 113.55 112.08 1jj1 h SER 86 Ca -0.50 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.88 1jj1 h SER 86 Cb 1.21 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 1jj1 h SER 86 CO 0.64 0.38 0.47 -0.62 -1.14 0.00 0.00 176.83 176.57 1jj1 s ASP 87 N -6.61 7.05 0.00 3.07 -1.08 -1.26 -4.94 116.67 112.90 1jj1 s ASP 87 Ca -0.01 1.30 0.20 0.00 -0.52 0.00 0.00 52.55 53.51 1jj1 s ASP 87 Cb 0.12 -2.49 0.88 0.00 -1.46 0.00 0.00 42.92 39.97 1jj1 s ASP 87 CO 0.70 -0.43 1.61 2.30 0.52 0.00 0.00 175.17 179.86 1jj1 n ILE 88 N 4.72 0.13 -0.06 4.11 -5.35 -1.26 -4.44 119.36 117.21 1jj1 n ILE 88 Ca 0.06 -0.22 -0.09 0.00 -0.27 0.00 0.00 62.75 62.23 1jj1 n ILE 88 Cb 0.49 0.13 -0.03 0.00 -1.74 0.00 0.00 39.64 38.49 1jj1 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jj1 h THR 89 N 1.40 0.24 -0.86 7.28 2.02 -1.94 -0.46 112.91 120.59 1jj1 h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1jj1 h THR 89 Cb 0.31 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1jj1 h THR 89 CO 0.00 0.00 0.56 0.00 0.37 0.00 0.00 175.52 176.45 1jj1 h ALA 90 N 0.56 1.10 -0.55 6.16 0.00 -1.84 -0.76 119.26 123.94 1jj1 h ALA 90 Ca 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1jj1 h ALA 90 Cb 0.55 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1jj1 h ALA 90 CO -0.46 0.46 0.12 0.77 0.00 0.00 0.00 179.25 180.14 1jj1 h SER 91 N 1.13 0.85 -0.41 0.00 0.02 -1.71 -2.02 113.55 111.40 1jj1 h SER 91 Ca 0.32 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1jj1 h SER 91 Cb -0.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 1jj1 h SER 91 CO -0.08 0.87 0.02 0.58 -1.14 0.00 0.00 176.83 177.08 1jj1 h VAL 92 N 0.78 1.26 -0.91 2.27 2.07 -0.79 0.24 116.25 121.17 1jj1 h VAL 92 Ca 0.17 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1jj1 h VAL 92 Cb 0.37 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1jj1 h VAL 92 CO 0.01 0.33 0.59 0.78 0.02 0.00 0.00 177.57 179.30 1jj1 h ASN 93 N 0.56 1.05 -0.11 0.57 2.35 -1.02 -0.52 115.58 118.45 1jj1 h ASN 93 Ca 0.12 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.60 1jj1 h ASN 93 Cb 0.45 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.57 1jj1 h ASN 93 CO 0.02 0.77 -0.84 0.00 -1.65 0.00 0.00 177.43 175.73 1jj1 h ALA 95 N 0.51 1.60 -0.31 0.00 0.00 -0.42 -0.33 119.26 120.30 1jj1 h ALA 95 Ca -0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1jj1 h ALA 95 Cb 1.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1jj1 h ALA 95 CO 0.17 0.32 0.01 0.87 0.00 0.00 0.00 179.25 180.62 1jj1 h LYS 96 N 0.85 0.48 -0.08 0.00 1.57 -1.06 -1.41 116.57 116.92 1jj1 h LYS 96 Ca 0.29 -0.09 -0.23 0.00 -1.87 0.00 0.00 60.65 58.75 1jj1 h LYS 96 Cb 0.08 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1jj1 h LYS 96 CO -0.08 0.50 -0.85 0.87 -0.57 0.00 0.00 179.45 179.32 1jj1 h LYS 97 N 0.46 0.63 0.11 3.15 1.57 -1.07 -3.13 116.57 118.30 1jj1 h LYS 97 Ca 0.10 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1jj1 h LYS 97 Cb 0.29 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1jj1 h LYS 97 CO 0.01 1.19 -0.05 0.82 -0.57 0.00 0.00 179.45 180.84 1jj1 h ILE 98 N 0.41 0.99 0.00 1.86 2.04 -0.82 -2.99 117.51 118.99 1jj1 h ILE 98 Ca -0.07 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1jj1 h ILE 98 Cb 1.48 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1jj1 h ILE 98 CO 0.16 0.09 -0.02 1.62 0.00 0.00 0.00 178.15 180.00 1jj1 h VAL 99 N -0.31 0.11 -0.08 1.67 3.04 -1.37 -0.36 116.25 118.95 1jj1 h VAL 99 Ca -0.02 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1jj1 h VAL 99 Cb 0.26 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1jj1 h VAL 99 CO 0.02 0.02 0.00 -1.20 -1.01 0.00 0.00 177.57 175.40 1jj1 n SER 100 N -3.19 1.00 -0.38 3.17 7.64 -1.13 -3.51 113.62 117.22 1jj1 n SER 100 Ca -0.02 -1.52 0.01 0.00 1.01 0.00 0.00 58.87 58.36 1jj1 n SER 100 Cb 0.18 -0.05 0.04 0.00 -1.01 0.00 0.00 64.21 63.38 1jj1 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jj1 n ASP 101 N -0.15 0.94 0.00 6.43 2.03 -0.15 -4.87 116.55 120.78 1jj1 n ASP 101 Ca 0.17 -2.05 0.00 0.00 0.52 0.00 0.00 54.79 53.43 1jj1 n ASP 101 Cb 0.24 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1jj1 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jj1 n GLY 102 N 0.41 2.71 0.20 0.27 0.00 -1.26 -4.83 105.19 102.69 1jj1 n GLY 102 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1jj1 n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jj1 n ASN 103 N 0.00 1.12 0.00 1.61 2.04 -1.26 -5.05 115.26 113.72 1jj1 n ASN 103 Ca 0.00 -0.90 0.00 0.00 -0.44 0.00 0.00 54.58 53.24 1jj1 n ASN 103 Cb 0.00 0.40 0.00 0.00 -2.53 0.00 0.00 39.78 37.65 1jj1 n ASN 103 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jj1 n GLY 104 N 1.43 1.68 0.36 4.83 0.00 -1.23 -2.21 105.19 110.05 1jj1 n GLY 104 Ca 0.08 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.58 1jj1 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jj1 n MET 105 N 6.98 1.46 0.08 1.61 0.00 -1.26 -3.58 117.12 122.41 1jj1 n MET 105 Ca 0.00 -0.71 0.10 0.00 0.00 0.00 0.00 57.70 57.09 1jj1 n MET 105 Cb 0.00 -1.20 0.42 0.00 0.00 0.00 0.00 33.22 32.44 1jj1 n MET 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1jj1 n ASN 106 N 0.04 0.42 0.32 7.83 3.02 -0.94 -1.88 115.26 124.08 1jj1 n ASN 106 Ca 0.09 0.61 0.21 0.00 -0.03 0.00 0.00 54.58 55.45 1jj1 n ASN 106 Cb 0.18 -0.69 1.07 0.00 -0.61 0.00 0.00 39.78 39.73 1jj1 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jj1 h ALA 107 N 2.34 1.06 -2.88 5.41 0.00 -1.74 -3.36 119.26 120.10 1jj1 h ALA 107 Ca 0.00 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.19 1jj1 h ALA 107 Cb 0.31 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.83 1jj1 h ALA 107 CO 0.00 0.01 -0.52 -1.58 0.00 0.00 0.00 179.25 177.16 1jj1 s TRP 108 N -4.10 3.29 0.24 0.00 0.51 -0.78 -4.97 118.94 113.12 1jj1 s TRP 108 Ca -0.04 -1.31 -0.06 0.00 -2.12 0.00 0.00 56.10 52.58 1jj1 s TRP 108 Cb 0.12 -2.61 0.30 0.00 -0.81 0.00 0.00 33.47 30.47 1jj1 s TRP 108 CO 0.46 -0.75 1.89 -0.24 -0.51 0.00 0.00 176.95 177.79 1jj1 h VAL 109 N 6.03 1.14 -0.71 4.03 3.04 -1.85 -1.78 116.25 126.15 1jj1 h VAL 109 Ca -0.24 -0.39 0.02 0.00 -1.01 0.00 0.00 66.70 65.08 1jj1 h VAL 109 Cb 1.09 -0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 30.23 1jj1 h VAL 109 CO 0.69 0.21 0.47 0.00 -1.01 0.00 0.00 177.57 177.93 1jj1 h ALA 110 N 1.39 1.53 -0.28 3.17 0.00 -1.93 0.24 119.26 123.37 1jj1 h ALA 110 Ca 0.37 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1jj1 h ALA 110 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jj1 h ALA 110 CO -0.13 0.42 -0.15 2.35 0.00 0.00 0.00 179.25 181.74 1jj1 h TRP 111 N 0.93 0.69 -0.21 0.00 7.01 -1.67 0.28 115.95 122.98 1jj1 h TRP 111 Ca 0.27 -0.18 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1jj1 h TRP 111 Cb -0.05 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 1jj1 h TRP 111 CO -0.00 0.85 0.09 -0.09 -2.79 0.00 0.00 178.44 176.50 1jj1 h ARG 112 N 0.34 0.20 0.00 2.65 2.43 -0.52 0.73 114.38 120.21 1jj1 h ARG 112 Ca 0.06 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 1jj1 h ARG 112 Cb 0.68 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1jj1 h ARG 112 CO 0.04 0.13 -0.86 -0.91 -1.51 0.00 0.00 179.97 176.86 1jj1 h ASN 113 N 0.20 0.10 0.00 -3.80 2.35 -0.49 -3.38 115.58 110.56 1jj1 h ASN 113 Ca 0.09 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jj1 h ASN 113 Cb 0.04 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1jj1 h ASN 113 CO -0.07 0.91 0.00 0.54 -1.65 0.00 0.00 177.43 177.16 1jj1 n ARG 114 N -3.58 3.63 -0.06 0.81 1.74 0.08 -4.89 116.66 114.39 1jj1 n ARG 114 Ca -0.02 -0.10 -0.12 0.00 -0.77 0.00 0.00 57.85 56.84 1jj1 n ARG 114 Cb 0.81 -0.51 -0.04 0.00 -1.02 0.00 0.00 32.46 31.70 1jj1 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jj1 n LYS 116 N -3.39 1.16 -0.98 0.00 4.81 0.00 -1.02 118.16 118.74 1jj1 n LYS 116 Ca -0.23 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1jj1 n LYS 116 Cb 0.68 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1jj1 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jj1 n GLY 117 N 2.86 0.91 4.01 3.14 0.00 -1.26 -4.99 105.19 109.86 1jj1 n GLY 117 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1jj1 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jj1 s THR 118 N -3.68 2.18 -1.33 2.61 -4.23 -0.19 -4.99 115.64 106.02 1jj1 s THR 118 Ca 0.00 -1.07 -0.16 0.00 -1.18 0.00 0.00 61.69 59.28 1jj1 s THR 118 Cb 0.00 -2.25 0.08 0.00 1.34 0.00 0.00 72.50 71.67 1jj1 s THR 118 CO 0.00 0.00 1.82 -0.67 -0.54 0.00 0.00 174.62 175.23 1jj1 n ASP 119 N -2.13 4.74 0.20 3.99 2.03 -1.26 -4.73 116.55 119.37 1jj1 n ASP 119 Ca 0.13 -2.92 0.14 0.00 0.52 0.00 0.00 54.79 52.66 1jj1 n ASP 119 Cb 0.62 -1.70 0.65 0.00 -0.72 0.00 0.00 41.12 39.97 1jj1 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1jj1 h VAL 120 N 5.02 0.00 0.00 5.18 -1.51 -1.91 -2.07 116.25 120.96 1jj1 h VAL 120 Ca 0.46 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.71 1jj1 h VAL 120 Cb 0.81 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1jj1 h VAL 120 CO 1.54 0.00 -0.07 -0.61 -1.23 0.00 0.00 177.57 177.21 1jj1 h GLN 121 N 0.00 0.00 -0.35 5.19 4.15 -1.88 -2.02 115.11 120.19 1jj1 h GLN 121 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1jj1 h GLN 121 Cb 0.27 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1jj1 h GLN 121 CO 0.00 0.07 0.24 0.00 -1.93 0.00 0.00 178.83 177.21 1jj1 h ALA 122 N 1.93 2.12 0.00 3.38 0.00 -1.77 -1.19 119.26 123.74 1jj1 h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jj1 h ALA 122 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jj1 h ALA 122 CO 0.01 -0.20 0.00 0.91 0.00 0.00 0.00 179.25 179.96 1jj1 n TRP 123 N -4.47 0.62 -0.02 0.00 7.02 -0.76 -2.85 117.44 116.99 1jj1 n TRP 123 Ca 0.05 0.27 0.00 0.00 -1.02 0.00 0.00 57.50 56.80 1jj1 n TRP 123 Cb 0.31 -0.94 0.00 0.00 -2.42 0.00 0.00 31.31 28.26 1jj1 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1jj1 n ILE 124 N -2.09 0.00 -2.39 -0.99 -5.35 -0.47 -4.79 119.36 103.28 1jj1 n ILE 124 Ca 0.01 -0.49 -0.39 0.00 -0.27 0.00 0.00 62.75 61.61 1jj1 n ILE 124 Cb 0.14 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 39.03 1jj1 n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1jj1 s ARG 125 N -0.17 4.29 0.00 6.28 0.52 -1.07 -2.45 118.95 126.34 1jj1 s ARG 125 Ca 0.00 1.79 0.00 0.00 -0.52 0.00 0.00 55.73 57.00 1jj1 s ARG 125 Cb 0.00 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.62 1jj1 s ARG 125 CO 0.00 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1jj1 n GLY 126 N 0.77 1.81 3.85 -3.53 0.00 -1.26 -5.03 105.19 101.79 1jj1 n GLY 126 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1jj1 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj1 s ARG 128 N -2.72 3.26 0.00 0.00 0.52 -1.26 -5.12 118.95 113.62 1jj1 s ARG 128 Ca 0.50 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 1jj1 s ARG 128 Cb -0.12 -4.44 0.00 0.00 0.52 0.00 0.00 34.95 30.91 1jj1 s ARG 128 CO 0.19 -1.61 0.47 1.28 0.02 0.00 0.00 175.30 175.65