#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jo0 s SER 2 N 0.00 -0.04 0.67 6.12 1.04 -1.26 -5.16 113.70 115.08 2jo0 s SER 2 Ca 0.00 -0.02 -0.15 0.00 0.48 0.00 0.00 55.95 56.27 2jo0 s SER 2 Cb 0.00 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.18 2jo0 s SER 2 CO 0.00 -0.09 1.11 -2.16 0.98 0.00 0.00 173.24 173.09 2jo0 s PRO 3 N -2.14 2.73 0.02 4.02 0.04 -1.26 -5.08 135.00 133.33 2jo0 s PRO 3 Ca 0.12 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.27 2jo0 s PRO 3 Cb 0.02 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.69 2jo0 s PRO 3 CO -0.04 -1.30 0.70 0.95 0.04 0.00 0.00 177.00 177.35 2jo0 s THR 4 N -2.38 0.00 0.00 1.26 -4.23 -1.26 -5.19 115.64 103.84 2jo0 s THR 4 Ca 0.67 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 2jo0 s THR 4 Cb -0.20 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.64 2jo0 s THR 4 CO 0.43 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 174.27 2jo0 n SER 5 N 0.28 0.00 0.12 3.99 2.88 -1.26 -4.95 113.62 114.68 2jo0 n SER 5 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2jo0 n SER 5 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 2jo0 n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jo0 n ILE 6 N 0.00 0.34 -0.44 2.46 0.13 -1.26 -4.78 119.36 115.81 2jo0 n ILE 6 Ca 0.00 0.11 -0.04 0.00 -1.10 0.00 0.00 62.75 61.72 2jo0 n ILE 6 Cb 0.00 -0.81 -0.06 0.00 -0.84 0.00 0.00 39.64 37.94 2jo0 n ILE 6 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2jo0 n LEU 7 N -3.47 2.90 0.00 9.51 -0.00 -1.26 -1.38 117.00 123.30 2jo0 n LEU 7 Ca 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 56.01 54.31 2jo0 n LEU 7 Cb 0.01 -0.71 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 2jo0 n LEU 7 CO 0.00 0.64 0.00 -0.67 -0.00 0.00 0.00 177.39 177.36 2jo0 n ASP 8 N 2.32 0.00 -4.05 1.45 2.03 -1.26 -5.14 116.55 111.90 2jo0 n ASP 8 Ca 0.14 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.19 2jo0 n ASP 8 Cb 0.41 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.73 2jo0 n ASP 8 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2jo0 s ILE 9 N 0.00 0.52 0.66 5.18 -4.36 -0.48 -4.90 121.20 117.82 2jo0 s ILE 9 Ca 0.00 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 2jo0 s ILE 9 Cb 0.00 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.40 2jo0 s ILE 9 CO 0.00 0.00 1.05 0.00 0.24 0.00 0.00 174.94 176.23 2jo0 s ARG 10 N -3.66 3.23 0.12 0.37 1.04 -1.26 -4.96 118.95 113.82 2jo0 s ARG 10 Ca 0.22 0.87 0.09 0.00 -1.04 0.00 0.00 55.73 55.87 2jo0 s ARG 10 Cb 0.02 -2.03 -0.04 0.00 -2.04 0.00 0.00 34.95 30.86 2jo0 s ARG 10 CO 0.15 -0.86 -0.23 1.14 -0.04 0.00 0.00 175.30 175.45 2jo0 s GLN 11 N -5.10 1.25 0.00 3.89 -2.07 -1.26 -5.08 119.66 111.29 2jo0 s GLN 11 Ca 0.57 -1.25 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 2jo0 s GLN 11 Cb -0.13 -1.61 0.00 0.00 -1.09 0.00 0.00 33.01 30.19 2jo0 s GLN 11 CO 0.54 0.37 0.00 0.41 -1.32 0.00 0.00 175.29 175.30 2jo0 n GLY 12 N 0.97 -1.73 1.35 2.60 0.00 -1.26 -5.08 105.19 102.04 2jo0 n GLY 12 Ca -0.19 0.73 0.06 0.00 0.00 0.00 0.00 46.02 46.63 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 3.33 0.00 1.61 -0.04 -1.26 -4.76 135.00 133.88 2jo0 n PRO 13 Ca 0.00 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 2jo0 n PRO 13 Cb 0.00 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 0.65 0.00 0.03 0.54 5.02 -1.26 -3.00 118.16 120.14 2jo0 n LYS 14 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2jo0 n LYS 14 Cb 0.78 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 2jo0 n LYS 14 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jo0 n GLU 15 N -0.80 0.00 -0.43 1.97 4.07 -1.26 -4.67 120.64 119.52 2jo0 n GLU 15 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 2jo0 n GLU 15 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 2jo0 n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2jo0 n PRO 16 N -2.62 0.85 -0.14 5.31 -0.04 -1.20 -4.65 135.00 132.51 2jo0 n PRO 16 Ca 0.00 -0.25 -0.06 0.00 -0.04 0.00 0.00 63.50 63.15 2jo0 n PRO 16 Cb 0.00 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.01 2jo0 n PRO 16 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2jo0 h PHE 17 N 3.03 -0.83 -0.10 0.54 3.57 -1.92 -1.18 116.94 120.05 2jo0 h PHE 17 Ca 0.05 0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.43 2jo0 h PHE 17 Cb 0.73 0.43 0.01 0.00 2.79 0.00 0.00 35.95 39.91 2jo0 h PHE 17 CO 0.81 -0.36 -0.62 0.07 -2.23 0.00 0.00 178.31 175.97 2jo0 h ARG 18 N -0.21 0.60 0.00 1.11 -0.00 -1.86 0.10 114.38 114.12 2jo0 h ARG 18 Ca 0.19 -0.51 0.00 0.00 -0.00 0.00 0.00 59.98 59.66 2jo0 h ARG 18 Cb 0.53 0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.61 2jo0 h ARG 18 CO -0.56 1.13 0.00 -0.25 -0.00 0.00 0.00 179.97 180.29 2jo0 n ASP 19 N -4.13 0.48 -0.03 0.08 9.92 -1.10 -2.41 116.55 119.36 2jo0 n ASP 19 Ca -0.08 0.68 -0.05 0.00 -0.53 0.00 0.00 54.79 54.81 2jo0 n ASP 19 Cb 0.67 -0.75 -0.04 0.00 -0.64 0.00 0.00 41.12 40.36 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 -2.09 0.00 -0.32 1.24 4.19 -0.46 -4.70 117.16 115.02 2jo0 n TYR 20 Ca 0.00 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.17 2jo0 n TYR 20 Cb 0.10 -0.28 0.08 0.00 0.49 0.00 0.00 39.34 39.74 2jo0 n TYR 20 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2jo0 h VAL 21 N 0.00 1.25 -0.61 2.97 3.04 -0.43 0.98 116.25 123.46 2jo0 h VAL 21 Ca -0.16 -0.64 -0.09 0.00 -1.01 0.00 0.00 66.70 64.80 2jo0 h VAL 21 Cb 1.27 0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.63 2jo0 h VAL 21 CO -0.02 0.29 0.03 0.44 -1.01 0.00 0.00 177.57 177.30 2jo0 h ASP 22 N 1.20 1.01 0.08 3.17 5.19 -1.80 -0.46 116.42 124.81 2jo0 h ASP 22 Ca 0.30 -0.27 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 2jo0 h ASP 22 Cb 0.04 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 2jo0 h ASP 22 CO -0.05 1.04 -0.23 0.03 -3.12 0.00 0.00 179.24 176.92 2jo0 h ARG 23 N 0.96 0.26 0.27 3.56 2.47 -1.62 -1.77 114.38 118.52 2jo0 h ARG 23 Ca 0.18 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 2jo0 h ARG 23 Cb 0.51 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2jo0 h ARG 23 CO 0.02 0.48 -0.13 0.35 0.56 0.00 0.00 179.97 181.26 2jo0 h PHE 24 N 0.24 -0.33 0.00 3.04 3.04 -0.64 -3.37 116.94 118.91 2jo0 h PHE 24 Ca 0.04 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2jo0 h PHE 24 Cb 0.54 0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.16 2jo0 h PHE 24 CO 0.01 -0.21 0.00 1.88 -2.02 0.00 0.00 178.31 177.97 2jo0 h TYR 25 N -0.98 0.00 -1.34 0.41 0.05 -1.11 -2.46 116.97 111.54 2jo0 h TYR 25 Ca -0.04 0.00 0.47 0.00 0.05 0.00 0.00 58.73 59.21 2jo0 h TYR 25 Cb 0.28 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.87 2jo0 h TYR 25 CO 0.01 0.00 0.85 -0.22 -1.05 0.00 0.00 178.16 177.74 2jo0 h LYS 26 N 0.00 0.01 0.00 4.88 3.11 -1.48 -2.93 116.57 120.15 2jo0 h LYS 26 Ca 0.00 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2jo0 h LYS 26 Cb 0.34 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 2jo0 h LYS 26 CO 0.00 0.00 -1.31 0.25 -2.81 0.00 0.00 179.45 175.58 2jo0 n THR 27 N -4.80 0.31 -0.32 1.00 -2.24 -1.09 -4.87 114.28 102.27 2jo0 n THR 27 Ca 0.40 -0.10 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 2jo0 n THR 27 Cb 1.54 -1.11 0.29 0.00 -2.10 0.00 0.00 70.33 68.94 2jo0 n THR 27 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jo0 h LEU 28 N -0.10 0.83 0.00 3.22 7.12 -1.38 -3.15 115.31 121.86 2jo0 h LEU 28 Ca -0.13 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2jo0 h LEU 28 Cb 1.16 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 2jo0 h LEU 28 CO -0.05 0.44 0.45 -2.11 -0.13 0.00 0.00 178.44 177.03 2jo0 n ARG 29 N -4.59 0.01 0.00 1.25 1.85 -1.12 -1.44 116.66 112.62 2jo0 n ARG 29 Ca 0.18 0.25 0.00 0.00 -1.00 0.00 0.00 57.85 57.28 2jo0 n ARG 29 Cb 0.39 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jo0 n ALA 30 N -0.84 0.00 0.25 2.89 0.00 -0.97 -1.25 120.51 120.59 2jo0 n ALA 30 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2jo0 n ALA 30 Cb 0.45 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.52 2jo0 n ALA 30 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2jo0 h GLU 31 N 0.00 0.00 0.00 0.00 4.81 -1.20 -3.32 114.58 114.87 2jo0 h GLU 31 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2jo0 h GLU 31 Cb 0.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2jo0 h GLU 31 CO 0.00 0.14 -1.43 0.00 -0.73 0.00 0.00 179.01 176.99 2jo0 n GLN 32 N -4.05 0.18 -3.73 1.92 -0.00 -1.10 -5.06 117.38 105.55 2jo0 n GLN 32 Ca -0.02 0.05 0.01 0.00 -0.00 0.00 0.00 57.00 57.03 2jo0 n GLN 32 Cb 0.22 -1.08 -0.00 0.00 -0.00 0.00 0.00 30.24 29.39 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jo0 s ALA 33 N -2.15 -2.13 -0.10 2.61 0.00 -1.25 -5.13 121.76 113.61 2jo0 s ALA 33 Ca -0.10 0.40 -0.34 0.00 0.00 0.00 0.00 51.96 51.91 2jo0 s ALA 33 Cb 0.03 0.53 -0.12 0.00 0.00 0.00 0.00 23.12 23.56 2jo0 s ALA 33 CO 0.17 -1.07 1.89 0.45 0.00 0.00 0.00 175.76 177.19 2jo0 n SER 34 N -0.66 3.42 -0.99 0.00 2.88 -1.25 -2.29 113.62 114.74 2jo0 n SER 34 Ca -0.06 0.97 -0.10 0.00 -1.33 0.00 0.00 58.87 58.36 2jo0 n SER 34 Cb 0.61 -1.36 -0.03 0.00 -0.75 0.00 0.00 64.21 62.68 2jo0 n SER 34 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jo0 n GLN 35 N 6.67 0.00 -4.38 -1.46 7.27 -0.38 -4.92 117.38 120.18 2jo0 n GLN 35 Ca 0.23 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.11 2jo0 n GLN 35 Cb 0.29 -0.33 -0.10 0.00 2.41 0.00 0.00 30.24 32.50 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2jo0 s GLU 36 N 1.90 1.49 0.43 3.69 2.12 -1.26 -5.06 118.70 122.01 2jo0 s GLU 36 Ca 0.30 -1.80 0.24 0.00 0.36 0.00 0.00 54.97 54.06 2jo0 s GLU 36 Cb -0.29 -0.66 0.60 0.00 0.26 0.00 0.00 34.13 34.05 2jo0 s GLU 36 CO 0.11 -0.17 1.69 0.28 -0.54 0.00 0.00 175.26 176.63 2jo0 h VAL 37 N 2.30 0.28 0.00 3.70 2.07 -2.03 -3.21 116.25 119.35 2jo0 h VAL 37 Ca -0.39 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2jo0 h VAL 37 Cb 1.24 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2jo0 h VAL 37 CO 0.66 0.14 0.00 0.29 0.02 0.00 0.00 177.57 178.68 2jo0 n LYS 38 N -3.18 0.59 -0.39 1.57 5.02 -1.26 -4.04 118.16 116.47 2jo0 n LYS 38 Ca 0.02 0.00 0.31 0.00 -2.02 0.00 0.00 58.31 56.62 2jo0 n LYS 38 Cb 0.51 -1.22 0.58 0.00 -0.02 0.00 0.00 35.03 34.88 2jo0 n LYS 38 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jo0 h ASN 39 N 0.76 0.34 -0.12 4.39 -0.73 -1.92 -1.22 115.58 117.07 2jo0 h ASN 39 Ca 0.00 0.13 0.04 0.00 1.87 0.00 0.00 56.30 58.34 2jo0 h ASN 39 Cb 0.54 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.23 2jo0 h ASN 39 CO 0.00 -0.11 0.48 0.00 -0.37 0.00 0.00 177.43 177.43 2jo0 h ALA 40 N 1.65 1.64 -0.64 1.57 0.00 -1.86 -2.45 119.26 119.17 2jo0 h ALA 40 Ca 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.65 2jo0 h ALA 40 Cb 2.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2jo0 h ALA 40 CO -0.42 -0.54 0.00 -1.33 0.00 0.00 0.00 179.25 176.96 2jo0 n MET 41 N -3.01 3.00 -4.21 0.00 2.81 -0.46 -5.00 117.12 110.25 2jo0 n MET 41 Ca 0.01 -2.63 -0.15 0.00 -1.81 0.00 0.00 57.70 53.12 2jo0 n MET 41 Cb 0.55 -1.60 -0.08 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.24 0.00 -0.90 2.03 -4.23 -0.92 -5.04 115.64 105.33 2jo0 s THR 42 Ca 0.45 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 2jo0 s THR 42 Cb 0.25 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.67 2jo0 s THR 42 CO 0.28 0.00 1.27 -1.84 -0.54 0.00 0.00 174.62 173.79 2jo0 n GLU 43 N -0.46 0.02 -1.10 3.99 0.00 -1.26 -4.60 120.64 117.22 2jo0 n GLU 43 Ca 0.04 0.42 -0.39 0.00 0.00 0.00 0.00 57.16 57.22 2jo0 n GLU 43 Cb 0.64 -1.56 -0.08 0.00 0.00 0.00 0.00 31.44 30.43 2jo0 n GLU 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2jo0 n THR 44 N -1.61 1.08 0.00 3.84 5.66 -1.26 -4.83 114.28 117.16 2jo0 n THR 44 Ca 0.01 -0.99 0.00 0.00 -3.05 0.00 0.00 64.05 60.02 2jo0 n THR 44 Cb 0.08 -2.17 0.00 0.00 -1.55 0.00 0.00 70.33 66.69 2jo0 n THR 44 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2jo0 n LEU 45 N 10.05 0.00 -3.71 1.09 4.32 -1.26 -4.78 117.00 122.71 2jo0 n LEU 45 Ca 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 56.44 2jo0 n LEU 45 Cb 0.42 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.21 2jo0 n LEU 45 CO 1.00 0.00 0.81 -1.48 -1.22 0.00 0.00 177.39 176.50 2jo0 s LEU 46 N -1.14 -0.15 -0.03 2.23 -0.00 -1.26 -4.95 118.68 113.38 2jo0 s LEU 46 Ca 0.00 -0.32 -0.07 0.00 -0.00 0.00 0.00 54.13 53.74 2jo0 s LEU 46 Cb 0.00 1.95 0.01 0.00 -0.00 0.00 0.00 46.19 48.15 2jo0 s LEU 46 CO 0.00 -0.74 0.16 -0.69 -0.00 0.00 0.00 176.35 175.09 2jo0 s VAL 47 N -3.05 0.05 -0.45 1.48 1.01 -1.26 -5.03 120.40 113.14 2jo0 s VAL 47 Ca 0.13 -0.38 0.15 0.00 0.00 0.00 0.00 61.98 61.88 2jo0 s VAL 47 Cb 0.00 -0.36 0.15 0.00 0.00 0.00 0.00 36.38 36.17 2jo0 s VAL 47 CO 0.00 -0.21 1.47 0.00 0.00 0.00 0.00 175.10 176.37 2jo0 n GLN 48 N 2.11 0.10 0.00 2.72 6.02 -1.26 -2.57 117.38 124.50 2jo0 n GLN 48 Ca -0.18 0.59 0.02 0.00 -0.01 0.00 0.00 57.00 57.41 2jo0 n GLN 48 Cb 0.57 -1.82 0.08 0.00 1.02 0.00 0.00 30.24 30.09 2jo0 n GLN 48 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2jo0 n ASN 49 N -2.03 0.00 -4.52 1.08 0.23 -1.26 -4.86 115.26 103.89 2jo0 n ASN 49 Ca -0.01 0.23 -0.20 0.00 -0.53 0.00 0.00 54.58 54.07 2jo0 n ASN 49 Cb 0.03 -0.28 -0.17 0.00 -2.08 0.00 0.00 39.78 37.28 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jo0 n ALA 50 N -1.28 0.84 -2.97 -2.53 0.00 -1.06 -4.95 120.51 108.56 2jo0 n ALA 50 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2jo0 n ALA 50 Cb 0.02 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 16.78 2jo0 n ALA 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jo0 n ASN 51 N 10.15 0.02 0.01 0.00 6.94 -1.26 -4.77 115.26 126.34 2jo0 n ASN 51 Ca 0.61 -0.97 -0.10 0.00 -0.02 0.00 0.00 54.58 54.10 2jo0 n ASN 51 Cb 0.24 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.71 2jo0 n ASN 51 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2jo0 h PRO 52 N 0.00 0.54 0.27 -0.53 0.13 -1.97 -3.33 132.00 127.12 2jo0 h PRO 52 Ca 0.00 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2jo0 h PRO 52 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 2jo0 h PRO 52 CO 0.00 0.96 -0.13 0.22 -0.23 0.00 0.00 178.00 178.82 2jo0 h ASP 53 N 0.41 -0.31 -0.29 1.44 3.58 -1.98 -2.86 116.42 116.41 2jo0 h ASP 53 Ca 0.00 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.52 2jo0 h ASP 53 Cb 1.12 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 2jo0 h ASP 53 CO 0.11 -0.22 -0.03 0.00 -2.88 0.00 0.00 179.24 176.22 2jo0 h LYS 55 N 0.05 -0.10 0.00 0.00 6.56 -1.67 0.13 116.57 121.54 2jo0 h LYS 55 Ca 0.14 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.73 2jo0 h LYS 55 Cb 0.20 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.88 2jo0 h LYS 55 CO -0.26 -0.06 -0.01 1.15 -2.06 0.00 0.00 179.45 178.20 2jo0 h THR 56 N -0.10 0.25 0.00 -0.16 2.02 -1.03 -2.04 112.91 111.85 2jo0 h THR 56 Ca 0.26 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2jo0 h THR 56 Cb 0.56 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2jo0 h THR 56 CO -0.83 0.01 -0.29 0.40 0.37 0.00 0.00 175.52 175.19 2jo0 h ILE 57 N 0.00 0.00 -0.07 3.11 2.04 -0.36 -3.38 117.51 118.85 2jo0 h ILE 57 Ca -0.00 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.23 2jo0 h ILE 57 Cb 0.07 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2jo0 h ILE 57 CO 0.00 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.25 2jo0 h LEU 58 N -0.65 0.00 -1.96 1.44 4.07 -1.02 0.08 115.31 117.26 2jo0 h LEU 58 Ca 0.00 0.00 0.43 0.00 0.08 0.00 0.00 57.88 58.39 2jo0 h LEU 58 Cb 0.29 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 2jo0 h LEU 58 CO 0.00 0.00 1.08 0.11 -1.08 0.00 0.00 178.44 178.55 2jo0 h LYS 59 N 0.00 0.00 0.00 1.13 1.79 -1.55 0.65 116.57 118.59 2jo0 h LYS 59 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2jo0 h LYS 59 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2jo0 h LYS 59 CO -0.00 0.00 -0.13 0.00 -1.08 0.00 0.00 179.45 178.24 2jo0 n ALA 60 N -2.80 1.91 -1.25 3.86 0.00 -0.12 -4.83 120.51 117.28 2jo0 n ALA 60 Ca 0.32 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.80 2jo0 n ALA 60 Cb 1.54 0.00 0.21 0.00 0.00 0.00 0.00 19.45 21.20 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 -1.02 3.57 -2.79 0.00 4.77 -0.42 -4.60 117.00 116.51 2jo0 n LEU 61 Ca 0.00 -3.42 -0.31 0.00 -0.03 0.00 0.00 56.01 52.25 2jo0 n LEU 61 Cb 0.00 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2jo0 n LEU 61 CO 0.00 0.98 0.63 0.61 -1.33 0.00 0.00 177.39 178.28 2jo0 n GLY 62 N -0.99 5.83 1.32 -0.72 0.00 0.09 -3.53 105.19 107.19 2jo0 n GLY 62 Ca 0.25 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.41 0.77 -2.00 1.61 -0.04 -1.26 -4.74 135.00 128.94 2jo0 n PRO 63 Ca 0.42 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.69 2jo0 n PRO 63 Cb 0.47 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.14 -0.48 0.16 0.55 0.00 -1.26 -4.70 120.51 115.91 2jo0 n ALA 64 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2jo0 n ALA 64 Cb 0.39 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.57 1.99 0.15 0.00 0.00 -1.26 -4.92 120.51 115.91 2jo0 n ALA 65 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.32 2jo0 n ALA 65 Cb 0.64 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.56 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 -0.24 0.00 -1.04 -1.26 -1.45 114.28 107.85 2jo0 n THR 66 Ca 0.00 0.73 0.03 0.00 -2.04 0.00 0.00 64.05 62.77 2jo0 n THR 66 Cb 0.00 -1.73 0.16 0.00 -1.82 0.00 0.00 70.33 66.94 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 0.27 -1.15 -4.42 6.46 -1.90 -2.48 115.31 112.09 2jo0 h LEU 67 Ca 0.00 0.10 0.32 0.00 -0.12 0.00 0.00 57.88 58.17 2jo0 h LEU 67 Cb 0.23 0.08 -0.13 0.00 -0.73 0.00 0.00 40.66 40.10 2jo0 h LEU 67 CO 0.00 0.12 0.64 -0.33 -0.62 0.00 0.00 178.44 178.25 2jo0 h GLU 68 N 0.44 0.33 0.13 1.25 5.08 -1.62 0.27 114.58 120.45 2jo0 h GLU 68 Ca 0.38 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.44 2jo0 h GLU 68 Cb 0.54 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.74 2jo0 h GLU 68 CO -0.37 0.22 -1.15 1.05 -1.00 0.00 0.00 179.01 177.75 2jo0 h GLU 69 N 0.34 0.55 0.00 2.33 4.11 -1.70 -3.37 114.58 116.84 2jo0 h GLU 69 Ca 0.70 -0.77 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 2jo0 h GLU 69 Cb 1.72 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 31.22 2jo0 h GLU 69 CO -0.49 1.34 -0.10 0.52 0.07 0.00 0.00 179.01 180.35 2jo0 h MET 70 N 0.13 0.00 -0.92 1.06 2.86 -0.13 0.71 114.93 118.63 2jo0 h MET 70 Ca -0.18 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.71 2jo0 h MET 70 Cb 1.85 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 33.38 2jo0 h MET 70 CO 0.22 0.10 0.38 1.98 1.06 0.00 0.00 176.91 180.66 2jo0 h MET 71 N 0.00 0.31 -0.00 1.72 1.85 -1.14 -2.92 114.93 114.75 2jo0 h MET 71 Ca -0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 2jo0 h MET 71 Cb 0.22 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.18 2jo0 h MET 71 CO 0.01 0.20 -0.09 0.25 -0.40 0.00 0.00 176.91 176.89 2jo0 n THR 72 N -5.11 0.00 -0.04 -0.77 -2.24 -1.03 -4.65 114.28 100.44 2jo0 n THR 72 Ca 0.24 -0.45 0.23 0.00 -2.27 0.00 0.00 64.05 61.80 2jo0 n THR 72 Cb 0.74 1.00 0.71 0.00 -2.10 0.00 0.00 70.33 70.68 2jo0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jo0 h ALA 73 N 0.29 2.57 -1.44 6.98 0.00 -0.66 -0.19 119.26 126.81 2jo0 h ALA 73 Ca 0.00 -0.02 0.42 0.00 0.00 0.00 0.00 54.91 55.31 2jo0 h ALA 73 Cb 0.05 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2jo0 h ALA 73 CO 0.00 -0.79 1.10 0.00 0.00 0.00 0.00 179.25 179.56 2jo0 n GLN 75 N -3.95 1.70 0.00 0.00 -0.00 -0.08 -1.82 117.38 113.23 2jo0 n GLN 75 Ca 0.32 -1.40 0.02 0.00 -0.00 0.00 0.00 57.00 55.94 2jo0 n GLN 75 Cb 1.55 -1.46 -0.01 0.00 -0.00 0.00 0.00 30.24 30.32 2jo0 n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jo0 n GLY 76 N 1.37 0.16 0.13 2.61 0.00 -0.44 -4.67 105.19 104.36 2jo0 n GLY 76 Ca 0.11 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.72 1.60 -2.28 1.61 0.31 -0.17 -5.09 118.33 113.59 2jo0 n VAL 77 Ca 0.01 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2jo0 n VAL 77 Cb 0.08 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 2.07 3.92 2.76 2.92 0.00 -0.75 -5.08 105.19 111.03 2jo0 n GLY 78 Ca -0.41 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 0.71 0.17 -0.02 0.00 -1.26 -4.10 105.19 100.69 2jo0 n GLY 79 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 46.02 45.00 2jo0 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jo0 h PRO 80 N 0.00 0.00 0.00 1.61 0.13 -1.97 -3.50 132.00 128.26 2jo0 h PRO 80 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2jo0 h PRO 80 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2jo0 h PRO 80 CO 0.25 0.44 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 2jo0 n GLY 81 N 0.72 -0.89 3.75 1.56 0.00 -1.26 -5.04 105.19 104.03 2jo0 n GLY 81 Ca 0.01 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 2jo0 n GLY 81 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jo0 s HIS 82 N 0.00 0.12 -0.20 1.61 -3.43 -1.26 -5.19 115.29 106.94 2jo0 s HIS 82 Ca 0.00 -0.58 -0.17 0.00 -0.80 0.00 0.00 55.06 53.51 2jo0 s HIS 82 Cb 0.00 0.53 0.05 0.00 -1.43 0.00 0.00 32.58 31.74 2jo0 s HIS 82 CO 0.00 -1.23 0.52 0.21 -2.00 0.00 0.00 174.74 172.24 2jo0 s LYS 83 N -3.56 0.59 0.90 -0.38 2.20 -1.26 -5.17 119.74 113.06 2jo0 s LYS 83 Ca 0.17 0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 56.42 2jo0 s LYS 83 Cb -0.04 0.26 0.12 0.00 -1.51 0.00 0.00 37.83 36.66 2jo0 s LYS 83 CO 0.09 -0.08 1.07 0.00 -0.36 0.00 0.00 175.35 176.07 2jo0 n ALA 84 N 3.02 -0.86 -2.16 3.13 0.00 -1.26 -5.07 120.51 117.31 2jo0 n ALA 84 Ca -0.15 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.68 2jo0 n ALA 84 Cb 0.56 -2.16 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 2jo0 n ALA 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jo0 s ARG 85 N -4.38 0.80 0.35 0.00 0.52 -1.26 -5.17 118.95 109.80 2jo0 s ARG 85 Ca 0.67 -1.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.61 2jo0 s ARG 85 Cb -0.24 -0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.09 2jo0 s ARG 85 CO 0.57 -0.04 0.37 0.14 0.02 0.00 0.00 175.30 176.36 2jo0 s VAL 86 N -3.68 0.00 -2.31 3.52 -7.23 -1.26 -5.38 120.40 104.05 2jo0 s VAL 86 Ca 0.11 -1.85 0.29 0.00 -1.81 0.00 0.00 61.98 58.73 2jo0 s VAL 86 Cb 0.06 -2.57 0.68 0.00 0.56 0.00 0.00 36.38 35.11 2jo0 s VAL 86 CO -0.06 0.00 1.93 0.00 -0.31 0.00 0.00 175.10 176.66