#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 -0.42 -3.46 7.83 7.64 -1.26 -5.12 113.62 118.83 2jo0 n SER 2 Ca 0.00 -1.63 -0.26 0.00 1.01 0.00 0.00 58.87 57.99 2jo0 n SER 2 Cb 0.00 0.79 0.24 0.00 -1.01 0.00 0.00 64.21 64.24 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 -0.19 -3.84 -0.65 1.43 -0.04 -1.26 -4.81 135.00 125.63 2jo0 n PRO 3 Ca 0.01 -1.14 -0.14 0.00 -0.04 0.00 0.00 63.50 62.19 2jo0 n PRO 3 Cb 0.19 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 31.80 2jo0 n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jo0 n THR 4 N -5.31 2.06 -4.37 0.52 -2.24 -1.26 -4.85 114.28 98.83 2jo0 n THR 4 Ca 0.10 -1.14 -0.30 0.00 -2.27 0.00 0.00 64.05 60.44 2jo0 n THR 4 Cb 0.51 -1.95 -0.04 0.00 -2.10 0.00 0.00 70.33 66.75 2jo0 n THR 4 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2jo0 s SER 5 N 2.88 4.37 -0.17 3.42 0.01 -1.26 -4.70 113.70 118.25 2jo0 s SER 5 Ca 0.39 -1.50 -0.04 0.00 1.31 0.00 0.00 55.95 56.12 2jo0 s SER 5 Cb 0.14 0.56 -0.23 0.00 0.21 0.00 0.00 66.02 66.71 2jo0 s SER 5 CO -0.02 -1.01 0.17 2.30 0.41 0.00 0.00 173.24 175.09 2jo0 n ILE 6 N -1.53 1.68 0.56 1.44 -6.64 -1.26 -4.34 119.36 109.27 2jo0 n ILE 6 Ca -0.12 -0.63 0.00 0.00 -1.77 0.00 0.00 62.75 60.23 2jo0 n ILE 6 Cb 0.66 -1.62 0.00 0.00 -1.44 0.00 0.00 39.64 37.23 2jo0 n ILE 6 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2jo0 n LEU 7 N -3.40 1.53 0.00 7.28 -0.00 -1.26 -1.50 117.00 119.65 2jo0 n LEU 7 Ca -0.37 -0.77 0.00 0.00 -0.00 0.00 0.00 56.01 54.88 2jo0 n LEU 7 Cb 1.03 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 2jo0 n LEU 7 CO 0.37 0.26 0.07 -0.67 -0.00 0.00 0.00 177.39 177.42 2jo0 n ASP 8 N 0.66 0.27 -2.53 1.45 2.03 -1.26 -5.03 116.55 112.14 2jo0 n ASP 8 Ca 0.00 -0.61 -0.07 0.00 0.52 0.00 0.00 54.79 54.63 2jo0 n ASP 8 Cb 0.26 0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 41.27 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 -0.62 0.00 -1.76 5.18 -5.35 -0.56 -4.70 119.36 111.55 2jo0 n ILE 9 Ca 0.00 -0.49 -0.41 0.00 -0.27 0.00 0.00 62.75 61.57 2jo0 n ILE 9 Cb 0.01 0.10 -0.00 0.00 -1.74 0.00 0.00 39.64 38.00 2jo0 n ILE 9 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2jo0 n ARG 10 N -0.26 2.64 -2.30 6.28 -4.01 -1.26 -5.05 116.66 112.70 2jo0 n ARG 10 Ca -0.04 0.93 -0.28 0.00 -1.04 0.00 0.00 57.85 57.42 2jo0 n ARG 10 Cb 0.13 -2.66 0.03 0.00 -3.04 0.00 0.00 32.46 26.92 2jo0 n ARG 10 CO 0.00 0.00 0.00 -1.14 -3.04 0.00 0.00 177.63 173.45 2jo0 s GLN 11 N -1.67 3.06 0.00 2.89 -0.44 -1.26 -5.02 119.66 117.21 2jo0 s GLN 11 Ca 0.56 0.17 0.00 0.00 -2.50 0.00 0.00 55.36 53.59 2jo0 s GLN 11 Cb -0.49 -2.23 0.00 0.00 -1.64 0.00 0.00 33.01 28.66 2jo0 s GLN 11 CO 0.60 -0.68 0.00 0.41 0.50 0.00 0.00 175.29 176.12 2jo0 n GLY 12 N -2.63 -1.45 2.04 2.59 0.00 -1.26 -5.02 105.19 99.46 2jo0 n GLY 12 Ca 0.04 0.61 -0.05 0.00 0.00 0.00 0.00 46.02 46.62 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 1.09 -3.90 1.61 -0.04 -1.26 -4.75 135.00 127.75 2jo0 n PRO 13 Ca 0.00 -0.45 -0.09 0.00 -0.04 0.00 0.00 63.50 62.91 2jo0 n PRO 13 Cb 0.00 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 31.75 2jo0 n PRO 13 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jo0 s LYS 14 N 1.46 1.09 0.00 0.54 2.20 -1.26 -4.34 119.74 119.43 2jo0 s LYS 14 Ca 0.30 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2jo0 s LYS 14 Cb 0.15 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.85 2jo0 s LYS 14 CO 0.00 -0.40 0.00 0.39 -0.36 0.00 0.00 175.35 174.98 2jo0 n GLU 15 N -0.19 0.00 -0.24 4.03 -0.58 0.27 -3.77 120.64 120.17 2jo0 n GLU 15 Ca -0.10 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.58 2jo0 n GLU 15 Cb 0.63 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.48 2jo0 n GLU 15 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2jo0 n PRO 16 N 0.00 0.63 0.27 3.49 -0.04 -1.26 -4.63 135.00 133.46 2jo0 n PRO 16 Ca 0.00 -0.65 -0.16 0.00 -0.04 0.00 0.00 63.50 62.65 2jo0 n PRO 16 Cb 0.00 -2.00 -0.08 0.00 -0.04 0.00 0.00 33.50 31.38 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 6.85 -0.61 -0.33 0.54 3.57 -1.85 -2.73 116.94 122.38 2jo0 h PHE 17 Ca 0.13 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 2jo0 h PHE 17 Cb 0.12 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 2jo0 h PHE 17 CO 1.78 -0.38 -0.35 0.07 -2.23 0.00 0.00 178.31 177.20 2jo0 h ARG 18 N -0.64 0.82 0.00 1.11 -0.00 -1.92 0.19 114.38 113.93 2jo0 h ARG 18 Ca -0.06 -0.44 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 2jo0 h ARG 18 Cb 0.50 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.49 2jo0 h ARG 18 CO 0.09 1.07 0.00 -0.25 -0.00 0.00 0.00 179.97 180.89 2jo0 n ASP 19 N -4.16 0.00 0.00 0.08 9.92 -1.23 -2.12 116.55 119.05 2jo0 n ASP 19 Ca -0.03 -0.49 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 2jo0 n ASP 19 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 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 -0.86 0.00 -0.21 1.24 9.36 -1.03 -4.82 117.16 120.83 2jo0 n TYR 20 Ca 0.07 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.27 2jo0 n TYR 20 Cb 0.03 0.04 0.09 0.00 -0.63 0.00 0.00 39.34 38.87 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 0.92 -0.20 2.97 3.04 -0.07 0.43 116.25 123.34 2jo0 h VAL 21 Ca 0.00 -0.20 0.03 0.00 -1.01 0.00 0.00 66.70 65.53 2jo0 h VAL 21 Cb 0.70 0.30 -0.03 0.00 -2.01 0.00 0.00 31.29 30.25 2jo0 h VAL 21 CO 0.00 0.10 0.01 0.44 -1.01 0.00 0.00 177.57 177.11 2jo0 h ASP 22 N 0.57 -0.06 0.27 3.17 3.32 -1.76 -0.68 116.42 121.25 2jo0 h ASP 22 Ca 0.28 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.26 2jo0 h ASP 22 Cb 0.22 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2jo0 h ASP 22 CO -0.20 -0.01 -0.44 0.03 -1.72 0.00 0.00 179.24 176.91 2jo0 h ARG 23 N 0.07 0.22 0.20 3.56 2.47 -1.58 -2.70 114.38 116.62 2jo0 h ARG 23 Ca 0.09 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2jo0 h ARG 23 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2jo0 h ARG 23 CO -0.15 0.62 -0.10 0.35 0.56 0.00 0.00 179.97 181.25 2jo0 h PHE 24 N 0.18 -0.25 -0.37 3.04 3.57 0.26 -3.22 116.94 120.15 2jo0 h PHE 24 Ca 0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jo0 h PHE 24 Cb 0.85 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2jo0 h PHE 24 CO 0.01 -0.02 0.21 1.88 -2.23 0.00 0.00 178.31 178.16 2jo0 h TYR 25 N -1.03 0.48 -0.34 0.41 0.05 -1.25 0.15 116.97 115.45 2jo0 h TYR 25 Ca -0.03 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.85 2jo0 h TYR 25 Cb 0.34 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 2jo0 h TYR 25 CO 0.03 0.34 0.40 -0.22 -1.05 0.00 0.00 178.16 177.66 2jo0 h LYS 26 N 0.51 0.00 0.00 4.88 3.11 -1.58 -2.92 116.57 120.58 2jo0 h LYS 26 Ca 0.13 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.79 2jo0 h LYS 26 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.21 2jo0 h LYS 26 CO -0.02 0.00 -1.60 2.41 -2.81 0.00 0.00 179.45 177.43 2jo0 n THR 27 N -3.64 0.59 -0.27 1.00 -1.04 -0.31 -4.58 114.28 106.03 2jo0 n THR 27 Ca 0.06 -0.15 0.27 0.00 -2.04 0.00 0.00 64.05 62.19 2jo0 n THR 27 Cb 0.56 -1.65 0.50 0.00 -1.82 0.00 0.00 70.33 67.92 2jo0 n THR 27 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2jo0 n LEU 28 N -3.48 0.30 0.00 -4.42 0.00 0.36 -1.01 117.00 108.75 2jo0 n LEU 28 Ca -0.21 1.41 0.00 0.00 0.00 0.00 0.00 56.01 57.21 2jo0 n LEU 28 Cb 0.65 -0.69 0.00 0.00 0.00 0.00 0.00 43.42 43.38 2jo0 n LEU 28 CO 0.01 -1.58 0.41 -2.11 0.00 0.00 0.00 177.39 174.11 2jo0 n ARG 29 N -4.92 0.00 0.09 1.96 -4.01 -1.10 -0.76 116.66 107.91 2jo0 n ARG 29 Ca 0.32 0.29 -0.18 0.00 -1.04 0.00 0.00 57.85 57.25 2jo0 n ARG 29 Cb 1.10 -1.55 -0.14 0.00 -3.04 0.00 0.00 32.46 28.83 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2jo0 h ALA 30 N 1.72 0.15 0.00 2.89 0.00 -1.38 -2.05 119.26 120.60 2jo0 h ALA 30 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 54.91 53.88 2jo0 h ALA 30 Cb 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jo0 h ALA 30 CO 0.00 1.02 -0.90 0.93 0.00 0.00 0.00 179.25 180.30 2jo0 h GLU 31 N 0.08 0.00 0.00 0.00 4.39 -1.14 -3.41 114.58 114.50 2jo0 h GLU 31 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2jo0 h GLU 31 Cb 2.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 2jo0 h GLU 31 CO 0.19 0.09 -0.35 1.04 -1.16 0.00 0.00 179.01 178.83 2jo0 n GLN 32 N -2.82 3.13 -0.79 2.33 1.13 -0.18 -5.05 117.38 115.13 2jo0 n GLN 32 Ca -0.01 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.04 2jo0 n GLN 32 Cb 0.62 -0.59 -0.00 0.00 0.11 0.00 0.00 30.24 30.38 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jo0 n ALA 33 N -0.74 -0.01 -3.12 -1.58 0.00 -0.77 -4.82 120.51 109.47 2jo0 n ALA 33 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2jo0 n ALA 33 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 2jo0 n ALA 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jo0 s SER 34 N -0.83 0.37 -0.24 0.00 1.04 -1.26 -5.02 113.70 107.75 2jo0 s SER 34 Ca 0.00 -1.21 -0.02 0.00 0.48 0.00 0.00 55.95 55.19 2jo0 s SER 34 Cb 0.00 0.65 0.12 0.00 0.10 0.00 0.00 66.02 66.89 2jo0 s SER 34 CO 0.00 -1.28 0.29 -1.58 0.98 0.00 0.00 173.24 171.65 2jo0 s GLN 35 N -3.36 0.28 -0.01 4.02 -0.44 -1.26 -4.77 119.66 114.12 2jo0 s GLN 35 Ca 0.25 0.18 -0.27 0.00 -2.50 0.00 0.00 55.36 53.02 2jo0 s GLN 35 Cb -0.01 -0.83 0.06 0.00 -1.64 0.00 0.00 33.01 30.60 2jo0 s GLN 35 CO 0.14 -0.78 0.62 -2.00 0.50 0.00 0.00 175.29 173.77 2jo0 s GLU 36 N 2.40 1.05 0.64 1.67 2.12 -1.26 -5.05 118.70 120.27 2jo0 s GLU 36 Ca 0.09 0.06 0.39 0.00 0.36 0.00 0.00 54.97 55.87 2jo0 s GLU 36 Cb -0.15 0.49 2.18 0.00 0.26 0.00 0.00 34.13 36.91 2jo0 s GLU 36 CO -0.20 -0.35 2.33 0.28 -0.54 0.00 0.00 175.26 176.78 2jo0 h VAL 37 N 2.93 0.22 0.00 3.70 2.07 -2.01 -2.87 116.25 120.28 2jo0 h VAL 37 Ca -0.29 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2jo0 h VAL 37 Cb 1.17 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2jo0 h VAL 37 CO 0.39 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.27 2jo0 n LYS 38 N -3.39 0.56 -0.13 1.57 5.02 -1.26 -4.67 118.16 115.86 2jo0 n LYS 38 Ca -0.03 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.47 2jo0 n LYS 38 Cb 0.08 -1.22 0.62 0.00 -0.02 0.00 0.00 35.03 34.49 2jo0 n LYS 38 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2jo0 h ASN 39 N 1.97 0.17 0.00 4.39 4.21 -1.93 -3.16 115.58 121.23 2jo0 h ASN 39 Ca 0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2jo0 h ASN 39 Cb 0.56 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 2jo0 h ASN 39 CO 0.00 0.08 0.00 0.00 -1.29 0.00 0.00 177.43 176.22 2jo0 n ALA 40 N -2.61 1.61 0.79 -0.83 0.00 -1.26 -2.55 120.51 115.66 2jo0 n ALA 40 Ca 0.15 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 2jo0 n ALA 40 Cb 0.70 -1.00 0.48 0.00 0.00 0.00 0.00 19.45 19.62 2jo0 n ALA 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jo0 n MET 41 N -0.50 0.04 -3.28 0.00 2.81 -1.19 -4.88 117.12 110.11 2jo0 n MET 41 Ca 0.00 0.12 -0.12 0.00 -1.81 0.00 0.00 57.70 55.89 2jo0 n MET 41 Cb 0.00 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 30.97 2jo0 n MET 41 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2jo0 n THR 42 N -1.47 0.00 0.32 2.03 -2.24 -1.06 -5.05 114.28 106.81 2jo0 n THR 42 Ca 0.06 -1.37 0.21 0.00 -2.27 0.00 0.00 64.05 60.68 2jo0 n THR 42 Cb 0.24 0.65 1.04 0.00 -2.10 0.00 0.00 70.33 70.16 2jo0 n THR 42 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2jo0 h GLU 43 N 0.00 0.00 -5.50 -0.78 9.09 -1.90 -3.47 114.58 112.02 2jo0 h GLU 43 Ca -0.14 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.16 2jo0 h GLU 43 Cb 0.68 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.74 2jo0 h GLU 43 CO 0.21 0.01 -0.16 -2.37 0.05 0.00 0.00 179.01 176.74 2jo0 n THR 44 N -3.14 -0.19 0.24 -1.06 5.66 -1.26 -4.79 114.28 109.74 2jo0 n THR 44 Ca -0.02 -0.09 0.02 0.00 -3.05 0.00 0.00 64.05 60.92 2jo0 n THR 44 Cb 0.15 -0.18 0.13 0.00 -1.55 0.00 0.00 70.33 68.87 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 -1.61 0.00 -3.62 1.09 4.32 -1.26 -4.75 117.00 111.18 2jo0 n LEU 45 Ca -0.05 0.27 -0.03 0.00 -0.02 0.00 0.00 56.01 56.18 2jo0 n LEU 45 Cb 0.12 -0.27 -0.01 0.00 -1.62 0.00 0.00 43.42 41.63 2jo0 n LEU 45 CO 0.14 -0.23 0.92 -1.48 -1.22 0.00 0.00 177.39 175.53 2jo0 s LEU 46 N -2.55 -0.15 -0.06 2.23 -0.00 -1.26 -4.64 118.68 112.25 2jo0 s LEU 46 Ca 0.05 -0.12 -0.05 0.00 -0.00 0.00 0.00 54.13 54.01 2jo0 s LEU 46 Cb 0.03 1.62 0.02 0.00 -0.00 0.00 0.00 46.19 47.86 2jo0 s LEU 46 CO 0.08 -0.43 0.16 -0.69 -0.00 0.00 0.00 176.35 175.46 2jo0 s VAL 47 N -2.69 -0.00 0.21 1.48 1.01 -1.26 -4.93 120.40 114.22 2jo0 s VAL 47 Ca 0.11 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 2jo0 s VAL 47 Cb 0.01 -0.23 0.16 0.00 0.00 0.00 0.00 36.38 36.32 2jo0 s VAL 47 CO -0.04 0.00 1.83 1.56 0.00 0.00 0.00 175.10 178.46 2jo0 h GLN 48 N 5.99 0.78 -1.55 2.72 4.20 -1.92 -1.61 115.11 123.71 2jo0 h GLN 48 Ca -0.26 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2jo0 h GLN 48 Cb 1.20 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2jo0 h GLN 48 CO 0.41 0.51 0.00 0.09 -0.67 0.00 0.00 178.83 179.17 2jo0 n ASN 49 N -4.71 1.03 0.14 1.46 4.13 -1.26 -3.69 115.26 112.35 2jo0 n ASN 49 Ca 0.09 -0.72 0.13 0.00 1.68 0.00 0.00 54.58 55.75 2jo0 n ASN 49 Cb 0.14 -0.18 0.48 0.00 -1.54 0.00 0.00 39.78 38.69 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jo0 h ALA 50 N 1.96 1.00 -0.78 5.41 0.00 -1.57 -3.26 119.26 122.01 2jo0 h ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jo0 h ALA 50 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jo0 h ALA 50 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 2jo0 n ASN 51 N -2.31 0.00 -0.03 0.00 3.02 -1.24 -0.66 115.26 114.03 2jo0 n ASN 51 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 2jo0 n ASN 51 Cb 0.28 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.35 2jo0 n ASN 51 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2jo0 h PRO 52 N 0.00 0.12 0.79 3.52 0.11 -1.94 -3.41 132.00 131.19 2jo0 h PRO 52 Ca 0.00 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 2jo0 h PRO 52 Cb 0.00 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.13 2jo0 h PRO 52 CO 0.00 0.65 -0.38 -0.44 -0.21 0.00 0.00 178.00 177.63 2jo0 h ASP 53 N -0.40 -0.89 -0.22 -2.05 5.19 -1.90 -1.23 116.42 114.91 2jo0 h ASP 53 Ca 0.00 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.46 2jo0 h ASP 53 Cb 0.65 0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 2jo0 h ASP 53 CO 0.02 -0.59 0.08 0.00 -3.12 0.00 0.00 179.24 175.63 2jo0 h LYS 55 N 0.19 -0.31 0.00 0.00 1.57 -1.55 0.78 116.57 117.24 2jo0 h LYS 55 Ca 0.10 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2jo0 h LYS 55 Cb 0.06 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2jo0 h LYS 55 CO -0.09 -0.21 0.00 -2.37 -0.57 0.00 0.00 179.45 176.21 2jo0 n THR 56 N -5.41 0.86 -0.06 -0.16 5.66 -0.47 -2.37 114.28 112.33 2jo0 n THR 56 Ca -0.01 0.20 -0.06 0.00 -3.05 0.00 0.00 64.05 61.14 2jo0 n THR 56 Cb 0.33 -1.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.09 2jo0 n THR 56 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2jo0 n ILE 57 N -1.78 1.06 0.33 1.09 5.41 -0.39 -4.49 119.36 120.60 2jo0 n ILE 57 Ca 0.03 0.25 0.22 0.00 1.00 0.00 0.00 62.75 64.26 2jo0 n ILE 57 Cb 0.21 -2.12 1.20 0.00 -0.71 0.00 0.00 39.64 38.23 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 -0.72 0.00 -0.64 1.39 4.07 -1.04 -0.58 115.31 117.80 2jo0 h LEU 58 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.11 2jo0 h LEU 58 Cb 0.64 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.26 2jo0 h LEU 58 CO 0.00 0.00 -0.08 0.29 -1.08 0.00 0.00 178.44 177.57 2jo0 n LYS 59 N -3.05 -0.05 -0.09 1.13 4.76 -1.00 -1.04 118.16 118.81 2jo0 n LYS 59 Ca -0.03 0.98 -0.11 0.00 -2.87 0.00 0.00 58.31 56.28 2jo0 n LYS 59 Cb 0.07 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.63 2jo0 n LYS 59 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jo0 n ALA 60 N -3.56 1.55 -1.18 7.82 0.00 -0.60 -0.57 120.51 123.98 2jo0 n ALA 60 Ca 0.13 -1.12 -0.18 0.00 0.00 0.00 0.00 53.44 52.27 2jo0 n ALA 60 Cb 0.40 -0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 2jo0 n ALA 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jo0 n LEU 61 N -2.78 5.80 -3.87 0.00 7.94 -0.21 -4.66 117.00 119.22 2jo0 n LEU 61 Ca -0.32 -3.52 -0.38 0.00 -1.11 0.00 0.00 56.01 50.68 2jo0 n LEU 61 Cb 1.04 -1.32 -0.02 0.00 0.53 0.00 0.00 43.42 43.65 2jo0 n LEU 61 CO 0.34 1.67 0.76 0.61 -1.11 0.00 0.00 177.39 179.66 2jo0 n GLY 62 N 1.71 4.95 1.08 -3.96 0.00 -1.15 -4.41 105.19 103.40 2jo0 n GLY 62 Ca 0.43 -2.69 -0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 1.33 2.09 -2.84 1.61 -0.04 -1.26 -4.92 135.00 130.97 2jo0 n PRO 63 Ca 0.27 -1.04 -0.13 0.00 -0.04 0.00 0.00 63.50 62.55 2jo0 n PRO 63 Cb 0.36 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.15 -0.95 0.15 0.55 0.00 -1.26 -4.62 120.51 114.52 2jo0 n ALA 64 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2jo0 n ALA 64 Cb 0.65 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.77 1.06 0.31 0.00 0.00 -1.26 -4.91 120.51 112.94 2jo0 n ALA 65 Ca -0.05 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.58 2jo0 n ALA 65 Cb 0.55 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.93 2jo0 n ALA 65 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2jo0 h THR 66 N 0.00 0.00 -0.71 0.00 2.02 -1.92 -2.82 112.91 109.48 2jo0 h THR 66 Ca 0.00 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.11 2jo0 h THR 66 Cb 0.00 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.44 2jo0 h THR 66 CO 0.00 0.00 0.32 0.25 0.37 0.00 0.00 175.52 176.46 2jo0 h LEU 67 N 0.00 0.37 -2.58 2.58 6.46 -1.91 -2.70 115.31 117.53 2jo0 h LEU 67 Ca 0.00 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2jo0 h LEU 67 Cb 0.19 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2jo0 h LEU 67 CO 0.00 0.19 0.05 -0.33 -0.62 0.00 0.00 178.44 177.73 2jo0 h GLU 68 N 0.52 0.00 0.16 1.25 4.39 -1.88 0.42 114.58 119.45 2jo0 h GLU 68 Ca 0.37 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.74 2jo0 h GLU 68 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2jo0 h GLU 68 CO -0.32 0.00 -1.67 1.05 -1.16 0.00 0.00 179.01 176.91 2jo0 h GLU 69 N 0.00 0.34 -0.02 2.33 4.11 -1.72 -3.41 114.58 116.22 2jo0 h GLU 69 Ca 0.01 -0.59 -0.07 0.00 0.07 0.00 0.00 59.36 58.79 2jo0 h GLU 69 Cb 0.11 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2jo0 h GLU 69 CO -0.00 1.28 -0.31 0.52 0.07 0.00 0.00 179.01 180.57 2jo0 h MET 70 N -0.02 0.04 -0.75 1.06 2.86 0.03 0.45 114.93 118.59 2jo0 h MET 70 Ca -0.34 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.38 2jo0 h MET 70 Cb 1.99 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.55 2jo0 h MET 70 CO 0.14 0.35 -0.39 -0.12 1.06 0.00 0.00 176.91 177.95 2jo0 n MET 71 N -4.16 -0.27 0.00 1.72 0.00 0.23 -3.31 117.12 111.33 2jo0 n MET 71 Ca -0.02 1.15 0.00 0.00 -0.00 0.00 0.00 57.70 58.83 2jo0 n MET 71 Cb 0.36 -1.69 0.00 0.00 0.00 0.00 0.00 33.22 31.89 2jo0 n MET 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2jo0 n THR 72 N -5.01 0.00 -0.05 1.12 -1.04 -1.09 -4.29 114.28 103.91 2jo0 n THR 72 Ca 0.04 -0.50 0.24 0.00 -2.04 0.00 0.00 64.05 61.79 2jo0 n THR 72 Cb 0.24 1.00 0.72 0.00 -1.82 0.00 0.00 70.33 70.47 2jo0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jo0 h ALA 73 N 0.00 2.56 0.00 2.41 0.00 -0.90 0.08 119.26 123.41 2jo0 h ALA 73 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2jo0 h ALA 73 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jo0 h ALA 73 CO 0.00 -0.85 -0.37 0.00 0.00 0.00 0.00 179.25 178.03 2jo0 n GLN 75 N -3.41 0.00 -1.90 0.00 10.64 0.01 -1.28 117.38 121.45 2jo0 n GLN 75 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.20 2jo0 n GLN 75 Cb 0.55 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.96 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 -0.58 1.23 0.27 2.61 0.00 -1.26 -4.83 105.19 102.63 2jo0 n GLY 76 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 2jo0 n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jo0 h VAL 77 N 6.48 1.25 0.00 1.61 2.07 -1.47 -3.49 116.25 122.69 2jo0 h VAL 77 Ca -0.22 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2jo0 h VAL 77 Cb 1.69 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2jo0 h VAL 77 CO 0.11 0.37 0.00 0.61 0.02 0.00 0.00 177.57 178.68 2jo0 n GLY 78 N -0.55 0.07 3.73 2.17 0.00 -1.26 -5.15 105.19 104.20 2jo0 n GLY 78 Ca 0.01 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.89 2jo0 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jo0 s GLY 79 N 0.00 -0.25 0.18 -0.02 0.00 -1.26 -4.84 107.32 101.13 2jo0 s GLY 79 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.58 2jo0 s GLY 79 CO 0.00 0.03 1.18 2.56 0.00 0.00 0.00 173.10 176.87 2jo0 s PRO 80 N -3.42 4.50 0.00 2.90 0.04 -1.26 -4.63 135.00 133.14 2jo0 s PRO 80 Ca 0.11 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2jo0 s PRO 80 Cb -0.02 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2jo0 s PRO 80 CO 0.01 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.39 2jo0 n GLY 81 N 2.23 1.76 1.05 0.56 0.00 -1.26 -3.93 105.19 105.60 2jo0 n GLY 81 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2jo0 n GLY 81 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jo0 n HIS 82 N 0.00 -1.31 -4.33 1.61 1.44 -1.26 -5.10 115.22 106.27 2jo0 n HIS 82 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 2jo0 n HIS 82 Cb 0.00 0.26 -0.15 0.00 0.12 0.00 0.00 29.99 30.22 2jo0 n HIS 82 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2jo0 s LYS 83 N -1.72 0.77 0.49 -1.40 2.20 -1.25 -5.07 119.74 113.75 2jo0 s LYS 83 Ca 0.00 -0.28 0.02 0.00 -0.36 0.00 0.00 55.97 55.36 2jo0 s LYS 83 Cb 0.00 -0.73 -0.02 0.00 -1.51 0.00 0.00 37.83 35.56 2jo0 s LYS 83 CO 0.00 0.13 0.01 0.00 -0.36 0.00 0.00 175.35 175.13 2jo0 s ALA 84 N 0.03 3.93 -0.72 3.13 0.00 -1.26 -4.90 121.76 121.97 2jo0 s ALA 84 Ca -0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 2jo0 s ALA 84 Cb -0.06 0.07 -0.15 0.00 0.00 0.00 0.00 23.12 22.98 2jo0 s ALA 84 CO -0.00 -0.04 2.91 -2.13 0.00 0.00 0.00 175.76 176.50 2jo0 n ARG 85 N -1.21 2.45 0.00 0.00 0.63 -1.26 -3.54 116.66 113.74 2jo0 n ARG 85 Ca -0.17 -1.42 0.00 0.00 -0.92 0.00 0.00 57.85 55.35 2jo0 n ARG 85 Cb 0.67 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.26 2jo0 n ARG 85 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2jo0 n VAL 86 N 3.20 0.54 -1.88 5.15 0.24 -1.26 -4.99 118.33 119.32 2jo0 n VAL 86 Ca 0.52 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2jo0 n VAL 86 Cb 0.48 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 2jo0 n VAL 86 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58