#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jo0 n SER 2 N 0.00 0.96 -0.04 7.83 7.64 -1.26 -4.88 113.62 123.87 2jo0 n SER 2 Ca 0.00 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2jo0 n SER 2 Cb 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2jo0 n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2jo0 n PRO 3 N 4.17 1.02 -4.16 1.43 -0.04 -1.26 -4.93 135.00 131.24 2jo0 n PRO 3 Ca 0.32 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.32 2jo0 n PRO 3 Cb -0.05 -1.04 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 2jo0 n PRO 3 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2jo0 n THR 4 N -0.45 -2.14 -4.45 0.52 -1.04 -1.26 -4.96 114.28 100.50 2jo0 n THR 4 Ca 0.00 -0.56 -0.24 0.00 -2.04 0.00 0.00 64.05 61.21 2jo0 n THR 4 Cb 0.02 -1.86 -0.08 0.00 -1.82 0.00 0.00 70.33 66.59 2jo0 n THR 4 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2jo0 s SER 5 N -3.77 2.50 0.05 8.00 0.01 -1.26 -4.99 113.70 114.23 2jo0 s SER 5 Ca 0.36 -1.72 -0.10 0.00 1.31 0.00 0.00 55.95 55.80 2jo0 s SER 5 Cb -0.20 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 2jo0 s SER 5 CO 0.98 -0.99 1.17 -0.29 0.41 0.00 0.00 173.24 174.51 2jo0 h ILE 6 N 1.87 0.00 0.00 1.44 6.09 -1.89 -1.62 117.51 123.39 2jo0 h ILE 6 Ca -0.32 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2jo0 h ILE 6 Cb 1.26 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.55 2jo0 h ILE 6 CO 0.50 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.58 2jo0 n LEU 7 N -3.62 0.38 0.00 2.19 -0.00 -1.26 -1.89 117.00 112.81 2jo0 n LEU 7 Ca -0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 2jo0 n LEU 7 Cb 0.09 -0.19 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 2jo0 n LEU 7 CO -0.03 0.10 0.02 -0.67 -0.00 0.00 0.00 177.39 176.80 2jo0 n ASP 8 N 0.32 0.00 -3.16 1.45 2.03 -0.65 -5.10 116.55 111.43 2jo0 n ASP 8 Ca 0.00 -1.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.13 2jo0 n ASP 8 Cb 0.10 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.44 2jo0 n ASP 8 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2jo0 n ILE 9 N 0.00 0.00 -2.74 5.18 -5.35 -0.79 -4.74 119.36 110.92 2jo0 n ILE 9 Ca 0.00 -1.70 -0.34 0.00 -0.27 0.00 0.00 62.75 60.45 2jo0 n ILE 9 Cb 0.27 0.62 -0.06 0.00 -1.74 0.00 0.00 39.64 38.72 2jo0 n ILE 9 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jo0 s ARG 10 N -3.10 4.16 0.26 6.28 1.04 -1.26 -4.98 118.95 121.36 2jo0 s ARG 10 Ca 0.15 1.22 -0.07 0.00 -1.04 0.00 0.00 55.73 55.99 2jo0 s ARG 10 Cb 0.01 -2.24 -0.06 0.00 -2.04 0.00 0.00 34.95 30.61 2jo0 s ARG 10 CO 0.11 -0.10 0.55 -1.14 -0.04 0.00 0.00 175.30 174.68 2jo0 s GLN 11 N -3.04 3.70 0.00 3.89 -0.44 -1.26 -5.06 119.66 117.44 2jo0 s GLN 11 Ca 0.62 0.11 0.00 0.00 -2.50 0.00 0.00 55.36 53.59 2jo0 s GLN 11 Cb -0.12 -2.65 0.00 0.00 -1.64 0.00 0.00 33.01 28.60 2jo0 s GLN 11 CO 0.16 0.26 0.00 0.41 0.50 0.00 0.00 175.29 176.62 2jo0 n GLY 12 N -0.60 -1.46 2.05 2.59 0.00 -1.26 -5.04 105.19 101.47 2jo0 n GLY 12 Ca -0.01 0.66 -0.07 0.00 0.00 0.00 0.00 46.02 46.60 2jo0 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 13 N 0.00 1.32 0.00 1.61 -0.04 -1.26 -4.47 135.00 132.16 2jo0 n PRO 13 Ca 0.00 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 2jo0 n PRO 13 Cb 0.00 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2jo0 n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jo0 n LYS 14 N 2.46 0.00 -0.12 0.54 4.76 -1.26 -4.94 118.16 119.60 2jo0 n LYS 14 Ca 0.26 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.60 2jo0 n LYS 14 Cb 0.61 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.79 2jo0 n LYS 14 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2jo0 h GLU 15 N 0.00 0.54 -6.63 1.97 4.39 -1.92 -3.43 114.58 109.51 2jo0 h GLU 15 Ca 0.00 -0.10 -0.51 0.00 0.34 0.00 0.00 59.36 59.09 2jo0 h GLU 15 Cb 0.00 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2jo0 h GLU 15 CO 0.00 0.53 -0.02 -1.25 -1.16 0.00 0.00 179.01 177.11 2jo0 s PRO 16 N -5.53 3.76 0.19 2.33 0.04 -1.26 -5.01 135.00 129.53 2jo0 s PRO 16 Ca -0.13 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2jo0 s PRO 16 Cb 0.09 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2jo0 s PRO 16 CO 0.74 0.14 0.00 0.34 0.04 0.00 0.00 177.00 178.27 2jo0 n PHE 17 N -0.84 -1.58 -0.29 0.56 7.35 -1.26 -4.76 117.46 116.64 2jo0 n PHE 17 Ca 0.01 0.28 -0.03 0.00 -0.76 0.00 0.00 57.45 56.95 2jo0 n PHE 17 Cb 0.54 0.46 0.09 0.00 0.35 0.00 0.00 39.48 40.91 2jo0 n PHE 17 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2jo0 h ARG 18 N 0.00 1.01 0.00 -4.13 -0.00 -1.98 0.24 114.38 109.51 2jo0 h ARG 18 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 59.92 2jo0 h ARG 18 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 29.97 29.74 2jo0 h ARG 18 CO 0.00 0.66 0.00 -0.25 -0.00 0.00 0.00 179.97 180.38 2jo0 n ASP 19 N -4.56 0.49 0.00 0.08 9.92 -1.26 -3.00 116.55 118.22 2jo0 n ASP 19 Ca 0.09 0.68 0.00 0.00 -0.53 0.00 0.00 54.79 55.03 2jo0 n ASP 19 Cb 0.06 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 2jo0 n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jo0 n TYR 20 N -2.10 0.00 -0.33 1.24 9.36 -1.07 -4.76 117.16 119.49 2jo0 n TYR 20 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.21 2jo0 n TYR 20 Cb 0.11 0.00 0.14 0.00 -0.63 0.00 0.00 39.34 38.96 2jo0 n TYR 20 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 2jo0 h VAL 21 N 0.00 1.24 0.23 2.97 3.04 -0.51 0.14 116.25 123.36 2jo0 h VAL 21 Ca 0.00 -0.49 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2jo0 h VAL 21 Cb 0.35 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.53 2jo0 h VAL 21 CO 0.00 0.25 -0.32 -0.78 -1.01 0.00 0.00 177.57 175.71 2jo0 h ASP 22 N 1.26 -0.89 -0.99 3.17 3.58 -1.76 -2.72 116.42 118.06 2jo0 h ASP 22 Ca 0.34 0.08 0.19 0.00 0.42 0.00 0.00 57.03 58.06 2jo0 h ASP 22 Cb -0.10 0.31 -0.10 0.00 1.72 0.00 0.00 39.33 41.15 2jo0 h ASP 22 CO -0.07 -0.39 0.61 0.03 -2.88 0.00 0.00 179.24 176.55 2jo0 h ARG 23 N -0.56 0.69 0.09 0.28 2.47 -1.71 0.80 114.38 116.44 2jo0 h ARG 23 Ca -0.03 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2jo0 h ARG 23 Cb 0.51 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2jo0 h ARG 23 CO -0.09 0.46 -0.05 0.35 0.56 0.00 0.00 179.97 181.20 2jo0 h PHE 24 N 0.71 -0.12 -0.57 3.04 3.04 -0.99 -2.91 116.94 119.14 2jo0 h PHE 24 Ca 0.56 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.60 2jo0 h PHE 24 Cb 0.94 0.04 -0.07 0.00 2.56 0.00 0.00 35.95 39.42 2jo0 h PHE 24 CO -0.00 -0.07 0.15 1.88 -2.02 0.00 0.00 178.31 178.25 2jo0 h TYR 25 N -0.31 0.26 -0.49 0.41 -1.99 -1.24 0.11 116.97 113.72 2jo0 h TYR 25 Ca -0.01 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2jo0 h TYR 25 Cb 0.10 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 2jo0 h TYR 25 CO 0.06 0.02 0.28 -0.22 -0.00 0.00 0.00 178.16 178.30 2jo0 h LYS 26 N 0.30 0.67 0.04 4.88 3.11 -1.00 -0.26 116.57 124.32 2jo0 h LYS 26 Ca 0.29 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 57.96 2jo0 h LYS 26 Cb 0.39 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2jo0 h LYS 26 CO -0.34 0.48 -0.57 1.79 -2.81 0.00 0.00 179.45 178.00 2jo0 h THR 27 N 0.68 1.48 -0.77 1.00 1.35 -1.09 -3.37 112.91 112.20 2jo0 h THR 27 Ca 0.18 -2.36 0.18 0.00 -0.55 0.00 0.00 66.41 63.85 2jo0 h THR 27 Cb -0.00 3.06 -0.12 0.00 -1.73 0.00 0.00 68.15 69.35 2jo0 h THR 27 CO -0.03 0.59 0.14 0.25 -0.25 0.00 0.00 175.52 176.22 2jo0 h LEU 28 N -0.79 -0.09 -0.99 3.87 7.12 -0.70 -3.37 115.31 120.36 2jo0 h LEU 28 Ca -0.13 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2jo0 h LEU 28 Cb 1.28 0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.66 2jo0 h LEU 28 CO -0.00 -0.10 0.00 -2.11 -0.13 0.00 0.00 178.44 176.10 2jo0 n ARG 29 N -5.22 0.00 0.00 1.25 -4.01 -0.12 -1.74 116.66 106.82 2jo0 n ARG 29 Ca 0.15 0.00 0.03 0.00 -1.04 0.00 0.00 57.85 56.99 2jo0 n ARG 29 Cb 0.50 -0.84 -0.03 0.00 -3.04 0.00 0.00 32.46 29.06 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2jo0 n ALA 30 N 0.33 2.83 -2.35 2.89 0.00 -1.26 -4.95 120.51 118.00 2jo0 n ALA 30 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 2jo0 n ALA 30 Cb 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 2jo0 n ALA 30 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jo0 s GLU 31 N -1.52 1.72 -0.71 0.00 2.02 -0.71 -4.97 118.70 114.53 2jo0 s GLU 31 Ca 0.03 -2.00 -0.09 0.00 0.02 0.00 0.00 54.97 52.93 2jo0 s GLU 31 Cb 0.05 -0.02 0.09 0.00 0.10 0.00 0.00 34.13 34.35 2jo0 s GLU 31 CO 0.25 -0.54 0.22 0.00 0.02 0.00 0.00 175.26 175.22 2jo0 n GLN 32 N -0.66 -1.65 -0.27 1.61 0.00 -1.26 -4.75 117.38 110.40 2jo0 n GLN 32 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 57.00 57.07 2jo0 n GLN 32 Cb 0.64 -3.47 0.00 0.00 0.00 0.00 0.00 30.24 27.40 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jo0 n ALA 33 N -2.53 2.87 -0.22 2.61 0.00 -1.26 -4.75 120.51 117.24 2jo0 n ALA 33 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2jo0 n ALA 33 Cb 0.36 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 2jo0 n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jo0 n SER 34 N 1.68 1.85 0.18 0.00 7.64 -1.26 -4.65 113.62 119.06 2jo0 n SER 34 Ca 0.00 -1.58 0.12 0.00 1.01 0.00 0.00 58.87 58.43 2jo0 n SER 34 Cb 0.28 -0.42 0.63 0.00 -1.01 0.00 0.00 64.21 63.69 2jo0 n SER 34 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2jo0 h GLN 35 N 3.46 0.00 0.00 1.43 -0.00 -1.90 -3.29 115.11 114.80 2jo0 h GLN 35 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 58.65 58.24 2jo0 h GLN 35 Cb 0.39 0.00 0.18 0.00 0.00 0.00 0.00 27.48 28.05 2jo0 h GLN 35 CO 0.10 0.00 0.39 -1.91 0.00 0.00 0.00 178.83 177.41 2jo0 n GLU 36 N -2.35 -1.49 0.28 1.69 2.13 -1.26 -4.79 120.64 114.85 2jo0 n GLU 36 Ca -0.01 -2.01 0.16 0.00 0.66 0.00 0.00 57.16 55.96 2jo0 n GLU 36 Cb 0.08 -1.39 0.80 0.00 0.27 0.00 0.00 31.44 31.20 2jo0 n GLU 36 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2jo0 h VAL 37 N -1.87 0.09 0.00 6.31 3.04 -2.01 -2.06 116.25 119.76 2jo0 h VAL 37 Ca -0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2jo0 h VAL 37 Cb 1.19 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2jo0 h VAL 37 CO 0.30 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 177.15 2jo0 n LYS 38 N -3.08 0.27 0.16 4.17 4.01 -1.26 -4.43 118.16 117.99 2jo0 n LYS 38 Ca 0.00 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.88 2jo0 n LYS 38 Cb 0.43 -1.13 0.44 0.00 -0.51 0.00 0.00 35.03 34.26 2jo0 n LYS 38 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2jo0 n ASN 39 N 0.36 0.42 -4.00 4.39 2.85 -0.78 -4.76 115.26 113.75 2jo0 n ASN 39 Ca 0.00 0.64 -0.29 0.00 -0.11 0.00 0.00 54.58 54.82 2jo0 n ASN 39 Cb 0.07 -0.65 0.25 0.00 1.24 0.00 0.00 39.78 40.69 2jo0 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jo0 s ALA 40 N -3.40 -0.16 0.00 5.20 0.00 -1.26 -4.46 121.76 117.68 2jo0 s ALA 40 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2jo0 s ALA 40 Cb 0.05 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2jo0 s ALA 40 CO 0.15 -3.94 0.00 -1.33 0.00 0.00 0.00 175.76 170.64 2jo0 n MET 41 N -5.05 0.00 -2.51 0.00 2.81 -1.26 -4.91 117.12 106.21 2jo0 n MET 41 Ca 0.09 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.75 2jo0 n MET 41 Cb 0.58 -1.89 0.06 0.00 -0.71 0.00 0.00 33.22 31.27 2jo0 n MET 41 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jo0 s THR 42 N -0.06 2.45 -1.39 2.03 -4.23 -1.26 -4.98 115.64 108.20 2jo0 s THR 42 Ca 0.00 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2jo0 s THR 42 Cb 0.00 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.93 2jo0 s THR 42 CO 0.00 0.00 0.66 -1.84 -0.54 0.00 0.00 174.62 172.90 2jo0 n GLU 43 N -2.61 0.00 -0.14 3.99 0.28 -1.26 -4.57 120.64 116.32 2jo0 n GLU 43 Ca 0.10 0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 2jo0 n GLU 43 Cb 0.60 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.95 2jo0 n GLU 43 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2jo0 n THR 44 N -1.16 0.00 0.16 3.84 -2.24 -1.26 -4.81 114.28 108.81 2jo0 n THR 44 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 2jo0 n THR 44 Cb 0.02 -1.08 0.33 0.00 -2.10 0.00 0.00 70.33 67.51 2jo0 n THR 44 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2jo0 n LEU 45 N 4.26 0.32 -3.74 3.22 4.77 -1.26 -4.77 117.00 119.79 2jo0 n LEU 45 Ca 0.00 0.54 -0.02 0.00 -0.03 0.00 0.00 56.01 56.50 2jo0 n LEU 45 Cb 0.00 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2jo0 n LEU 45 CO 0.36 -0.65 0.85 -1.48 -1.33 0.00 0.00 177.39 175.14 2jo0 s LEU 46 N -4.06 -0.10 -0.05 2.23 -0.00 -1.26 -4.82 118.68 110.61 2jo0 s LEU 46 Ca -0.01 -0.36 -0.00 0.00 -0.00 0.00 0.00 54.13 53.76 2jo0 s LEU 46 Cb 0.04 1.88 0.03 0.00 -0.00 0.00 0.00 46.19 48.13 2jo0 s LEU 46 CO 0.11 -0.71 -0.01 -0.69 -0.00 0.00 0.00 176.35 175.06 2jo0 s VAL 47 N -2.80 0.32 0.40 1.48 1.01 -1.26 -4.88 120.40 114.66 2jo0 s VAL 47 Ca 0.15 0.08 0.25 0.00 0.00 0.00 0.00 61.98 62.46 2jo0 s VAL 47 Cb 0.00 -0.43 0.41 0.00 0.00 0.00 0.00 36.38 36.36 2jo0 s VAL 47 CO 0.01 0.21 1.57 0.00 0.00 0.00 0.00 175.10 176.89 2jo0 n GLN 48 N 4.59 -0.05 -0.07 2.72 6.02 -1.26 -2.23 117.38 127.10 2jo0 n GLN 48 Ca -0.17 1.33 0.00 0.00 -0.01 0.00 0.00 57.00 58.15 2jo0 n GLN 48 Cb 0.50 -2.47 0.00 0.00 1.02 0.00 0.00 30.24 29.29 2jo0 n GLN 48 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jo0 n ASN 49 N -5.04 3.11 -4.10 1.08 5.15 -1.26 -4.90 115.26 109.30 2jo0 n ASN 49 Ca 0.39 -1.92 -0.29 0.00 -0.60 0.00 0.00 54.58 52.16 2jo0 n ASN 49 Cb 1.39 -0.55 0.20 0.00 -0.53 0.00 0.00 39.78 40.29 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jo0 n ALA 50 N 0.70 -3.57 -3.11 5.20 0.00 -0.95 -4.85 120.51 113.93 2jo0 n ALA 50 Ca 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 53.44 52.03 2jo0 n ALA 50 Cb 0.46 -1.50 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 2jo0 n ALA 50 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jo0 s ASN 51 N -2.07 -0.14 0.20 0.00 2.47 -1.26 -5.02 114.94 109.13 2jo0 s ASN 51 Ca 0.56 -0.67 -0.11 0.00 0.42 0.00 0.00 52.86 53.06 2jo0 s ASN 51 Cb -0.13 0.54 0.14 0.00 -1.45 0.00 0.00 41.25 40.34 2jo0 s ASN 51 CO 0.60 -1.02 1.87 1.55 -3.72 0.00 0.00 177.10 176.37 2jo0 h PRO 52 N 2.31 0.90 0.00 0.43 0.13 -1.90 -2.99 132.00 130.88 2jo0 h PRO 52 Ca -0.29 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.60 2jo0 h PRO 52 Cb 1.25 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2jo0 h PRO 52 CO 0.40 0.60 -0.90 -0.44 -0.23 0.00 0.00 178.00 177.43 2jo0 h ASP 53 N 0.93 0.00 -0.49 1.44 3.32 -1.87 -3.02 116.42 116.72 2jo0 h ASP 53 Ca 0.26 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.41 2jo0 h ASP 53 Cb -0.09 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.36 2jo0 h ASP 53 CO -0.06 0.90 -0.19 0.00 -1.72 0.00 0.00 179.24 178.17 2jo0 h LYS 55 N -0.08 -0.64 -0.15 0.00 1.57 -1.58 -0.54 116.57 115.16 2jo0 h LYS 55 Ca 0.23 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.10 2jo0 h LYS 55 Cb 0.44 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2jo0 h LYS 55 CO -0.54 -0.43 0.14 1.15 -0.57 0.00 0.00 179.45 179.20 2jo0 h THR 56 N -0.66 0.68 0.00 -0.16 2.02 -1.02 -2.93 112.91 110.84 2jo0 h THR 56 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2jo0 h THR 56 Cb 0.69 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2jo0 h THR 56 CO -0.25 0.00 -0.41 -0.38 0.37 0.00 0.00 175.52 174.85 2jo0 n ILE 57 N -4.13 0.79 0.27 3.11 5.41 0.11 -4.46 119.36 120.46 2jo0 n ILE 57 Ca 0.01 0.33 0.16 0.00 1.00 0.00 0.00 62.75 64.25 2jo0 n ILE 57 Cb 0.26 -1.97 0.91 0.00 -0.71 0.00 0.00 39.64 38.13 2jo0 n ILE 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jo0 h LEU 58 N -0.54 0.00 -1.85 1.39 4.07 -1.20 0.22 115.31 117.40 2jo0 h LEU 58 Ca 0.00 0.00 0.20 0.00 0.08 0.00 0.00 57.88 58.16 2jo0 h LEU 58 Cb 0.41 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 2jo0 h LEU 58 CO 0.00 0.00 0.64 0.11 -1.08 0.00 0.00 178.44 178.11 2jo0 h LYS 59 N 0.00 0.00 -0.01 1.13 1.57 -1.70 -0.10 116.57 117.46 2jo0 h LYS 59 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2jo0 h LYS 59 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2jo0 h LYS 59 CO -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2jo0 n ALA 60 N -2.44 2.34 -2.57 3.86 0.00 0.69 -4.82 120.51 117.56 2jo0 n ALA 60 Ca 0.14 -0.68 0.03 0.00 0.00 0.00 0.00 53.44 52.93 2jo0 n ALA 60 Cb 0.89 -0.04 0.03 0.00 0.00 0.00 0.00 19.45 20.33 2jo0 n ALA 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jo0 n LEU 61 N -0.09 1.14 -3.48 0.00 4.77 -0.38 -4.99 117.00 113.96 2jo0 n LEU 61 Ca 0.01 -2.23 -0.32 0.00 -0.03 0.00 0.00 56.01 53.43 2jo0 n LEU 61 Cb 0.11 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2jo0 n LEU 61 CO 0.01 0.62 0.51 0.61 -1.33 0.00 0.00 177.39 177.81 2jo0 n GLY 62 N 0.25 5.24 0.84 -0.72 0.00 -0.19 -4.60 105.19 106.01 2jo0 n GLY 62 Ca 0.06 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.35 2jo0 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 63 N 0.61 0.80 -0.61 1.61 -0.04 -1.26 -4.84 135.00 131.26 2jo0 n PRO 63 Ca 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2jo0 n PRO 63 Cb 0.37 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 2jo0 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jo0 n ALA 64 N 0.44 0.00 0.10 0.55 0.00 -1.26 -4.59 120.51 115.75 2jo0 n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jo0 n ALA 64 Cb 0.33 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2jo0 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 n ALA 65 N 0.64 3.00 0.16 0.00 0.00 -1.26 -4.76 120.51 118.30 2jo0 n ALA 65 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2jo0 n ALA 65 Cb 0.30 0.08 0.54 0.00 0.00 0.00 0.00 19.45 20.37 2jo0 n ALA 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jo0 n THR 66 N -3.36 0.93 -0.19 0.00 -1.04 -1.26 -2.04 114.28 107.32 2jo0 n THR 66 Ca 0.00 0.74 -0.00 0.00 -2.04 0.00 0.00 64.05 62.75 2jo0 n THR 66 Cb 0.00 -1.74 0.08 0.00 -1.82 0.00 0.00 70.33 66.84 2jo0 n THR 66 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2jo0 h LEU 67 N 0.00 -0.37 -1.30 -4.42 6.46 -1.86 -2.44 115.31 111.39 2jo0 h LEU 67 Ca 0.00 0.16 0.29 0.00 -0.12 0.00 0.00 57.88 58.21 2jo0 h LEU 67 Cb 0.14 0.30 -0.11 0.00 -0.73 0.00 0.00 40.66 40.26 2jo0 h LEU 67 CO 0.00 -0.14 0.68 -0.33 -0.62 0.00 0.00 178.44 178.03 2jo0 h GLU 68 N 0.07 0.35 0.07 1.25 5.08 -1.75 0.32 114.58 119.97 2jo0 h GLU 68 Ca 0.29 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2jo0 h GLU 68 Cb 0.47 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jo0 h GLU 68 CO -0.54 0.23 -0.59 1.05 -1.00 0.00 0.00 179.01 178.17 2jo0 h GLU 69 N 0.36 0.28 -0.33 2.33 4.11 -1.71 -3.38 114.58 116.24 2jo0 h GLU 69 Ca 0.65 -0.39 -0.02 0.00 0.07 0.00 0.00 59.36 59.67 2jo0 h GLU 69 Cb 1.66 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 2jo0 h GLU 69 CO -0.36 1.13 0.13 0.52 0.07 0.00 0.00 179.01 180.50 2jo0 h MET 70 N -0.38 0.46 -0.41 1.06 2.86 0.01 0.14 114.93 118.66 2jo0 h MET 70 Ca -0.09 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.57 2jo0 h MET 70 Cb 1.39 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.90 2jo0 h MET 70 CO 0.11 0.39 0.01 1.98 1.06 0.00 0.00 176.91 180.46 2jo0 h MET 71 N 0.46 0.12 0.11 1.72 -1.53 -1.16 -3.25 114.93 111.41 2jo0 h MET 71 Ca 0.12 -0.01 -0.35 0.00 -3.44 0.00 0.00 59.70 56.02 2jo0 h MET 71 Cb 0.10 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.10 2jo0 h MET 71 CO -0.01 0.08 -1.88 1.15 0.14 0.00 0.00 176.91 176.39 2jo0 h THR 72 N 0.12 0.74 -0.35 -0.77 2.02 -1.38 -3.40 112.91 109.90 2jo0 h THR 72 Ca 0.20 -2.46 0.10 0.00 0.77 0.00 0.00 66.41 65.02 2jo0 h THR 72 Cb 0.28 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 2jo0 h THR 72 CO -0.33 0.82 0.26 0.00 0.37 0.00 0.00 175.52 176.64 2jo0 h ALA 73 N 0.27 2.31 0.00 6.16 0.00 -0.81 0.10 119.26 127.28 2jo0 h ALA 73 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jo0 h ALA 73 Cb 2.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2jo0 h ALA 73 CO 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2jo0 n GLN 75 N -1.11 0.38 0.00 0.00 10.64 0.02 -2.22 117.38 125.10 2jo0 n GLN 75 Ca 0.11 -0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2jo0 n GLN 75 Cb 0.09 -2.26 0.00 0.00 -0.86 0.00 0.00 30.24 27.21 2jo0 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jo0 n GLY 76 N 6.25 1.26 3.33 2.61 0.00 -1.26 -4.86 105.19 112.51 2jo0 n GLY 76 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 2jo0 n GLY 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jo0 n VAL 77 N 0.00 0.89 -2.80 1.61 0.31 -0.94 -4.53 118.33 112.86 2jo0 n VAL 77 Ca 0.00 -0.79 -0.11 0.00 -0.01 0.00 0.00 64.34 63.43 2jo0 n VAL 77 Cb 0.00 -2.15 0.02 0.00 -0.91 0.00 0.00 33.84 30.80 2jo0 n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jo0 n GLY 78 N 4.87 2.01 0.00 2.92 0.00 -1.26 -4.61 105.19 109.12 2jo0 n GLY 78 Ca 0.48 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2jo0 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jo0 n GLY 79 N -0.00 -1.58 0.02 -0.02 0.00 -1.26 -4.81 105.19 97.53 2jo0 n GLY 79 Ca 0.12 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2jo0 n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 80 N 0.00 0.42 -3.52 1.61 -0.04 -1.26 -4.76 135.00 127.44 2jo0 n PRO 80 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2jo0 n PRO 80 Cb 0.00 -1.01 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2jo0 n PRO 80 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2jo0 s GLY 81 N -1.55 -0.42 0.27 0.55 0.00 -1.26 -5.16 107.32 99.75 2jo0 s GLY 81 Ca 0.00 1.30 -0.30 0.00 0.00 0.00 0.00 44.72 45.72 2jo0 s GLY 81 CO 0.00 0.56 1.38 -2.38 0.00 0.00 0.00 173.10 172.65 2jo0 s HIS 82 N -2.47 3.07 -0.25 1.90 -3.43 -1.26 -5.03 115.29 107.81 2jo0 s HIS 82 Ca 0.02 1.18 -0.16 0.00 -0.80 0.00 0.00 55.06 55.31 2jo0 s HIS 82 Cb -0.01 -3.74 0.07 0.00 -1.43 0.00 0.00 32.58 27.48 2jo0 s HIS 82 CO -0.05 -2.28 0.63 0.21 -2.00 0.00 0.00 174.74 171.25 2jo0 s LYS 83 N -0.78 0.66 0.19 -0.38 2.36 -1.26 -5.15 119.74 115.38 2jo0 s LYS 83 Ca 0.56 1.09 -0.33 0.00 -2.55 0.00 0.00 55.97 54.74 2jo0 s LYS 83 Cb -0.40 0.15 -0.15 0.00 -1.05 0.00 0.00 37.83 36.38 2jo0 s LYS 83 CO 0.45 -0.14 1.33 0.00 1.55 0.00 0.00 175.35 178.54 2jo0 n ALA 84 N 4.04 0.23 -1.19 3.13 0.00 -1.26 -5.00 120.51 120.47 2jo0 n ALA 84 Ca -0.20 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 2jo0 n ALA 84 Cb 0.58 -2.17 0.15 0.00 0.00 0.00 0.00 19.45 18.01 2jo0 n ALA 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jo0 s ARG 85 N -0.19 0.89 0.00 0.00 3.52 -1.26 -5.11 118.95 116.81 2jo0 s ARG 85 Ca 0.73 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 2jo0 s ARG 85 Cb -0.76 -1.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 2jo0 s ARG 85 CO 0.49 -2.46 0.00 1.33 -0.81 0.00 0.00 175.30 173.85 2jo0 n VAL 86 N -4.01 0.00 0.00 7.11 0.24 -1.26 -5.36 118.33 115.05 2jo0 n VAL 86 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2jo0 n VAL 86 Cb 0.56 -0.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 2jo0 n VAL 86 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87