#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 0.00 -0.06 7.83 3.41 -1.26 -5.02 113.62 118.52 2jo0 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jo0 n SER 2 Cb 0.00 0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.07 2jo0 n SER 2 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2jo0 n PRO 3 N -1.57 1.06 0.00 4.33 -0.04 -1.26 -4.89 135.00 132.63 2jo0 n PRO 3 Ca 0.00 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2jo0 n PRO 3 Cb 0.00 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.41 0.00 -1.64 0.52 -1.04 -1.26 -4.94 114.28 105.50 2jo0 n THR 4 Ca 0.01 0.00 -0.50 0.00 -2.04 0.00 0.00 64.05 61.51 2jo0 n THR 4 Cb 0.03 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.48 2jo0 n THR 4 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2jo0 n SER 5 N 0.00 2.99 -0.21 8.00 3.41 -1.26 -4.84 113.62 121.71 2jo0 n SER 5 Ca 0.00 0.85 0.23 0.00 -0.26 0.00 0.00 58.87 59.69 2jo0 n SER 5 Cb 0.00 -1.31 0.60 0.00 -0.26 0.00 0.00 64.21 63.24 2jo0 n SER 5 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2jo0 h ILE 6 N 5.82 0.62 0.00 -1.33 -0.00 -1.98 -2.96 117.51 117.68 2jo0 h ILE 6 Ca -0.44 -0.08 0.00 0.00 -0.00 0.00 0.00 64.86 64.34 2jo0 h ILE 6 Cb 1.29 0.37 0.00 0.00 -0.00 0.00 0.00 36.82 38.48 2jo0 h ILE 6 CO 0.97 0.04 0.37 0.00 -0.00 0.00 0.00 178.15 179.53 2jo0 n LEU 7 N -4.42 0.15 0.20 0.16 -0.00 -1.26 -0.74 117.00 111.09 2jo0 n LEU 7 Ca 0.19 0.37 0.13 0.00 -0.00 0.00 0.00 56.01 56.70 2jo0 n LEU 7 Cb 0.81 -0.30 0.71 0.00 -0.00 0.00 0.00 43.42 44.64 2jo0 n LEU 7 CO 0.34 -0.42 1.11 -0.78 -0.00 0.00 0.00 177.39 177.64 2jo0 h ASP 8 N 0.00 0.00 0.00 1.45 1.82 -1.91 -3.18 116.42 114.60 2jo0 h ASP 8 Ca 0.00 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 2jo0 h ASP 8 Cb 0.75 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.55 2jo0 h ASP 8 CO 0.00 0.00 -0.76 2.30 -1.61 0.00 0.00 179.24 179.17 2jo0 n ILE 9 N -4.32 0.78 -1.70 2.25 -5.35 0.08 -4.88 119.36 106.21 2jo0 n ILE 9 Ca 0.00 -1.65 -0.27 0.00 -0.27 0.00 0.00 62.75 60.56 2jo0 n ILE 9 Cb 0.24 0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 38.59 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 -1.14 2.06 0.38 6.28 1.04 -1.21 -4.84 118.95 121.52 2jo0 s ARG 10 Ca 0.32 0.72 0.09 0.00 -1.04 0.00 0.00 55.73 55.82 2jo0 s ARG 10 Cb 0.34 -4.69 0.83 0.00 -2.04 0.00 0.00 34.95 29.39 2jo0 s ARG 10 CO -0.11 -3.63 1.93 0.37 -0.04 0.00 0.00 175.30 173.83 2jo0 h GLN 11 N 15.31 0.64 0.00 3.89 5.75 -1.94 -3.48 115.11 135.28 2jo0 h GLN 11 Ca -0.11 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 2jo0 h GLN 11 Cb 1.12 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.53 2jo0 h GLN 11 CO 1.12 0.42 0.00 0.41 -2.65 0.00 0.00 178.83 178.13 2jo0 n GLY 12 N -1.46 0.43 0.07 2.39 0.00 -1.26 -4.94 105.19 100.42 2jo0 n GLY 12 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 1.27 0.56 -0.25 1.61 -0.04 -1.26 -4.56 135.00 132.34 2jo0 n PRO 13 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2jo0 n PRO 13 Cb 0.00 -1.04 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.40 -0.26 0.00 0.54 5.02 -1.26 -4.32 118.16 117.49 2jo0 n LYS 14 Ca 0.00 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 2jo0 n LYS 14 Cb 0.02 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 2jo0 n LYS 14 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jo0 n GLU 15 N -4.43 0.55 0.00 1.97 4.71 -1.26 -4.22 120.64 117.96 2jo0 n GLU 15 Ca 0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.24 2jo0 n GLU 15 Cb 0.15 -0.05 0.45 0.00 -1.01 0.00 0.00 31.44 30.99 2jo0 n GLU 15 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2jo0 n PRO 16 N 0.00 0.97 0.00 3.49 -0.04 -1.26 -4.33 135.00 133.83 2jo0 n PRO 16 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2jo0 n PRO 16 Cb 0.00 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 2jo0 n PRO 16 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jo0 n PHE 17 N -0.74 0.00 -0.36 0.54 3.01 -1.26 -1.22 117.46 117.42 2jo0 n PHE 17 Ca 0.11 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.48 2jo0 n PHE 17 Cb 0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.44 2jo0 n PHE 17 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2jo0 n ARG 18 N -0.01 -0.38 -0.27 -1.08 -4.01 -1.26 -0.20 116.66 109.44 2jo0 n ARG 18 Ca 0.00 1.31 -0.04 0.00 -1.04 0.00 0.00 57.85 58.08 2jo0 n ARG 18 Cb 0.00 -1.92 0.01 0.00 -3.04 0.00 0.00 32.46 27.51 2jo0 n ARG 18 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 2jo0 h ASP 19 N 0.00 -1.31 0.13 2.89 1.82 -1.57 -3.07 116.42 115.31 2jo0 h ASP 19 Ca 0.14 0.26 -0.35 0.00 -0.39 0.00 0.00 57.03 56.69 2jo0 h ASP 19 Cb 0.36 0.66 -0.06 0.00 0.68 0.00 0.00 39.33 40.97 2jo0 h ASP 19 CO -0.82 -0.30 -2.20 0.00 -1.61 0.00 0.00 179.24 174.31 2jo0 n TYR 20 N -5.44 0.33 -0.23 0.28 9.36 -0.96 -4.21 117.16 116.27 2jo0 n TYR 20 Ca 0.06 0.11 0.15 0.00 3.32 0.00 0.00 57.90 61.54 2jo0 n TYR 20 Cb 0.37 -1.06 0.45 0.00 -0.63 0.00 0.00 39.34 38.47 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 0.78 0.36 2.97 3.04 -0.50 -1.35 116.25 121.55 2jo0 h VAL 21 Ca -0.48 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.01 2jo0 h VAL 21 Cb 2.14 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 2jo0 h VAL 21 CO 0.03 0.10 -0.17 0.44 -1.01 0.00 0.00 177.57 176.96 2jo0 h ASP 22 N 0.54 -0.41 0.33 3.17 5.19 -1.71 0.95 116.42 124.48 2jo0 h ASP 22 Ca 0.44 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.75 2jo0 h ASP 22 Cb 0.88 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.50 2jo0 h ASP 22 CO -0.18 -0.18 -0.09 0.03 -3.12 0.00 0.00 179.24 175.70 2jo0 h ARG 23 N -0.64 0.00 0.00 3.56 -0.00 -1.48 0.30 114.38 116.12 2jo0 h ARG 23 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 2jo0 h ARG 23 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.43 2jo0 h ARG 23 CO 0.08 0.09 -0.08 0.35 0.00 0.00 0.00 179.97 180.41 2jo0 h PHE 24 N 0.00 0.00 0.00 3.04 3.57 -1.37 -3.41 116.94 118.77 2jo0 h PHE 24 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jo0 h PHE 24 Cb 0.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2jo0 h PHE 24 CO 0.00 0.00 -0.00 1.88 -2.23 0.00 0.00 178.31 177.96 2jo0 h TYR 25 N -0.91 0.00 -0.87 0.41 -1.99 -0.51 -1.36 116.97 111.74 2jo0 h TYR 25 Ca 0.00 0.00 0.25 0.00 2.00 0.00 0.00 58.73 60.98 2jo0 h TYR 25 Cb 0.08 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.77 2jo0 h TYR 25 CO -0.03 0.00 0.77 1.57 -0.00 0.00 0.00 178.16 180.48 2jo0 h LYS 26 N 0.00 0.00 0.00 4.88 5.09 -1.15 -2.08 116.57 123.30 2jo0 h LYS 26 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.45 2jo0 h LYS 26 Cb 0.01 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.30 2jo0 h LYS 26 CO 0.00 0.00 -1.96 2.41 -2.09 0.00 0.00 179.45 177.81 2jo0 n THR 27 N -3.82 0.98 -0.28 0.07 -1.04 -0.56 -4.64 114.28 104.99 2jo0 n THR 27 Ca 0.18 -0.24 0.11 0.00 -2.04 0.00 0.00 64.05 62.07 2jo0 n THR 27 Cb 1.07 -1.75 0.22 0.00 -1.82 0.00 0.00 70.33 68.05 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 -3.80 -0.13 0.00 -4.42 -0.00 -0.93 -3.53 117.00 104.18 2jo0 n LEU 28 Ca -0.34 1.39 0.00 0.00 -0.00 0.00 0.00 56.01 57.05 2jo0 n LEU 28 Cb 0.74 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2jo0 n LEU 28 CO 0.02 -1.39 0.03 -2.11 -0.00 0.00 0.00 177.39 173.94 2jo0 n ARG 29 N -5.19 0.00 0.15 1.96 -4.01 -0.80 -1.89 116.66 106.89 2jo0 n ARG 29 Ca 0.18 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 57.03 2jo0 n ARG 29 Cb 0.59 -1.09 0.05 0.00 -3.04 0.00 0.00 32.46 28.97 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 0.75 0.73 -2.24 2.89 0.00 -1.89 -3.43 119.26 116.07 2jo0 h ALA 30 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 2jo0 h ALA 30 Cb 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.59 2jo0 h ALA 30 CO 0.00 0.51 -0.69 -1.83 0.00 0.00 0.00 179.25 177.24 2jo0 s GLU 31 N -3.01 0.84 0.00 0.00 -1.05 -0.79 -4.88 118.70 109.81 2jo0 s GLU 31 Ca 0.04 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 2jo0 s GLU 31 Cb 0.07 -0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 2jo0 s GLU 31 CO 0.73 -0.03 0.00 0.00 0.95 0.00 0.00 175.26 176.91 2jo0 n GLN 32 N -0.05 0.00 0.26 -4.83 -0.00 -1.26 -4.84 117.38 106.66 2jo0 n GLN 32 Ca -0.12 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 56.90 2jo0 n GLN 32 Cb 0.61 -2.61 0.10 0.00 -0.00 0.00 0.00 30.24 28.35 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jo0 h ALA 33 N 0.00 1.71 0.00 2.61 0.00 -1.86 -3.26 119.26 118.46 2jo0 h ALA 33 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2jo0 h ALA 33 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jo0 h ALA 33 CO 0.00 -0.71 -0.05 0.45 0.00 0.00 0.00 179.25 178.94 2jo0 n SER 34 N -2.25 4.10 -3.99 0.00 2.88 -1.26 -4.69 113.62 108.41 2jo0 n SER 34 Ca -0.00 -2.13 -0.32 0.00 -1.33 0.00 0.00 58.87 55.09 2jo0 n SER 34 Cb 0.81 -0.93 -0.04 0.00 -0.75 0.00 0.00 64.21 63.30 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 1.86 -2.18 -2.43 -1.46 7.27 -1.26 -4.87 117.38 114.31 2jo0 n GLN 35 Ca 0.08 0.25 -0.42 0.00 0.07 0.00 0.00 57.00 56.98 2jo0 n GLN 35 Cb 0.46 -4.89 -0.03 0.00 2.41 0.00 0.00 30.24 28.20 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 -6.66 4.34 0.50 3.69 2.12 -1.23 -4.94 118.70 116.52 2jo0 s GLU 36 Ca 0.63 1.71 0.26 0.00 0.36 0.00 0.00 54.97 57.93 2jo0 s GLU 36 Cb -0.36 -3.56 1.34 0.00 0.26 0.00 0.00 34.13 31.82 2jo0 s GLU 36 CO 0.78 -0.46 1.89 0.28 -0.54 0.00 0.00 175.26 177.20 2jo0 h VAL 37 N 4.99 0.61 0.00 3.70 2.07 -1.93 -2.39 116.25 123.30 2jo0 h VAL 37 Ca -0.35 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2jo0 h VAL 37 Cb 1.16 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2jo0 h VAL 37 CO 0.88 0.02 0.00 0.29 0.02 0.00 0.00 177.57 178.79 2jo0 n LYS 38 N -4.36 0.45 -0.26 1.57 4.01 -1.26 -4.48 118.16 113.82 2jo0 n LYS 38 Ca 0.18 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 58.05 2jo0 n LYS 38 Cb 0.84 -1.24 0.21 0.00 -0.51 0.00 0.00 35.03 34.33 2jo0 n LYS 38 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 2jo0 h ASN 39 N 0.73 0.23 0.00 4.39 -1.07 -1.74 -1.25 115.58 116.87 2jo0 h ASN 39 Ca 0.00 0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.49 2jo0 h ASN 39 Cb 0.30 0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.66 2jo0 h ASN 39 CO 0.00 0.06 0.00 0.00 0.07 0.00 0.00 177.43 177.56 2jo0 n ALA 40 N -2.54 1.65 0.16 4.14 0.00 -1.20 -1.74 120.51 120.97 2jo0 n ALA 40 Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.58 2jo0 n ALA 40 Cb 0.47 -1.06 0.28 0.00 0.00 0.00 0.00 19.45 19.14 2jo0 n ALA 40 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2jo0 h MET 41 N 0.00 0.03 0.00 0.00 2.86 -1.55 -3.44 114.93 112.83 2jo0 h MET 41 Ca 0.00 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.40 2jo0 h MET 41 Cb 0.00 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.69 2jo0 h MET 41 CO 0.00 0.48 0.03 0.25 1.06 0.00 0.00 176.91 178.73 2jo0 n THR 42 N -3.99 0.00 0.28 2.22 -2.24 -0.71 -4.99 114.28 104.85 2jo0 n THR 42 Ca -0.02 -0.80 0.17 0.00 -2.27 0.00 0.00 64.05 61.13 2jo0 n THR 42 Cb 0.49 -1.03 0.94 0.00 -2.10 0.00 0.00 70.33 68.63 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 -3.66 -0.78 -0.00 -1.85 -3.47 114.58 104.83 2jo0 h GLU 43 Ca -0.15 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.69 2jo0 h GLU 43 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.33 2jo0 h GLU 43 CO 0.17 0.00 0.50 2.41 -0.00 0.00 0.00 179.01 182.09 2jo0 n THR 44 N -3.63 0.00 0.07 -1.06 -1.04 -1.25 -4.85 114.28 102.52 2jo0 n THR 44 Ca -0.01 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.02 2jo0 n THR 44 Cb 0.17 -0.30 0.04 0.00 -1.82 0.00 0.00 70.33 68.42 2jo0 n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jo0 n LEU 45 N 2.86 1.79 0.00 -4.42 -0.00 -1.26 -3.27 117.00 112.70 2jo0 n LEU 45 Ca 0.22 -1.43 -0.01 0.00 -0.00 0.00 0.00 56.01 54.79 2jo0 n LEU 45 Cb -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 2jo0 n LEU 45 CO 0.55 0.42 0.15 0.00 -0.00 0.00 0.00 177.39 178.51 2jo0 n LEU 46 N 0.09 0.00 -3.74 1.47 -0.00 -1.26 -4.98 117.00 108.58 2jo0 n LEU 46 Ca 0.03 -0.26 -0.14 0.00 -0.00 0.00 0.00 56.01 55.64 2jo0 n LEU 46 Cb 0.20 0.51 -0.15 0.00 -0.00 0.00 0.00 43.42 43.98 2jo0 n LEU 46 CO 0.03 -0.09 -0.25 -0.69 -0.00 0.00 0.00 177.39 176.39 2jo0 s VAL 47 N -2.47 -0.07 0.24 1.47 1.01 -1.26 -5.02 120.40 114.30 2jo0 s VAL 47 Ca 0.04 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 2jo0 s VAL 47 Cb -0.01 -0.22 0.20 0.00 0.00 0.00 0.00 36.38 36.36 2jo0 s VAL 47 CO 0.01 0.08 1.82 1.56 0.00 0.00 0.00 175.10 178.58 2jo0 h GLN 48 N 7.36 0.80 -1.16 2.72 4.20 -1.98 -2.75 115.11 124.30 2jo0 h GLN 48 Ca -0.41 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2jo0 h GLN 48 Cb 1.13 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2jo0 h GLN 48 CO 0.41 0.53 0.00 -1.71 -0.67 0.00 0.00 178.83 177.39 2jo0 n ASN 49 N -4.72 1.84 -4.19 1.46 5.15 -1.26 -4.88 115.26 108.66 2jo0 n ASN 49 Ca 0.12 -1.44 -0.29 0.00 -0.60 0.00 0.00 54.58 52.37 2jo0 n ASN 49 Cb 0.23 -0.36 0.23 0.00 -0.53 0.00 0.00 39.78 39.35 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 0.53 -3.60 -2.38 5.20 0.00 -1.04 -1.76 120.51 117.45 2jo0 n ALA 50 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 53.44 51.97 2jo0 n ALA 50 Cb 0.32 -1.70 -0.10 0.00 0.00 0.00 0.00 19.45 17.96 2jo0 n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jo0 s ASN 51 N -2.25 1.27 0.21 0.00 4.22 -1.13 -4.45 114.94 112.80 2jo0 s ASN 51 Ca 0.62 -0.88 -0.10 0.00 -2.14 0.00 0.00 52.86 50.37 2jo0 s ASN 51 Cb -0.18 0.05 0.16 0.00 1.28 0.00 0.00 41.25 42.55 2jo0 s ASN 51 CO 0.63 -0.35 1.86 1.55 -2.04 0.00 0.00 177.10 178.75 2jo0 h PRO 52 N 3.37 1.03 0.00 3.55 0.13 -1.94 -2.44 132.00 135.70 2jo0 h PRO 52 Ca -0.36 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jo0 h PRO 52 Cb 1.18 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2jo0 h PRO 52 CO 0.57 0.72 0.00 -3.47 -0.23 0.00 0.00 178.00 175.59 2jo0 n ASP 53 N -4.51 0.00 -0.13 1.44 2.03 -1.26 -2.65 116.55 111.47 2jo0 n ASP 53 Ca 0.07 0.91 0.06 0.00 0.52 0.00 0.00 54.79 56.34 2jo0 n ASP 53 Cb 0.05 -0.41 0.37 0.00 -0.72 0.00 0.00 41.12 40.41 2jo0 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jo0 h LYS 55 N 0.70 0.25 0.00 0.00 1.57 -1.48 0.12 116.57 117.72 2jo0 h LYS 55 Ca 0.26 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2jo0 h LYS 55 Cb 0.16 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jo0 h LYS 55 CO -0.08 0.17 -0.06 0.00 -0.57 0.00 0.00 179.45 178.91 2jo0 h THR 56 N 0.26 0.36 0.00 -0.16 1.03 -0.85 -2.84 112.91 110.71 2jo0 h THR 56 Ca 0.32 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 2jo0 h THR 56 Cb 0.48 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 2jo0 h THR 56 CO -0.41 0.06 -0.26 0.40 -0.01 0.00 0.00 175.52 175.30 2jo0 h ILE 57 N 0.00 0.00 -0.00 0.00 2.04 -0.58 -3.36 117.51 115.60 2jo0 h ILE 57 Ca -0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2jo0 h ILE 57 Cb 0.24 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2jo0 h ILE 57 CO 0.01 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.09 2jo0 h LEU 58 N -0.92 0.00 -1.45 1.44 4.07 -1.11 0.13 115.31 117.47 2jo0 h LEU 58 Ca 0.00 0.00 0.16 0.00 0.08 0.00 0.00 57.88 58.12 2jo0 h LEU 58 Cb 0.26 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 2jo0 h LEU 58 CO 0.00 0.00 0.77 0.11 -1.08 0.00 0.00 178.44 178.24 2jo0 h LYS 59 N 0.00 0.00 0.00 1.13 1.79 -1.65 -0.91 116.57 116.93 2jo0 h LYS 59 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jo0 h LYS 59 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2jo0 h LYS 59 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 2jo0 n ALA 60 N -2.16 1.52 -2.90 3.86 0.00 0.35 -4.86 120.51 116.32 2jo0 n ALA 60 Ca 0.11 -0.69 -0.23 0.00 0.00 0.00 0.00 53.44 52.63 2jo0 n ALA 60 Cb 0.96 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.23 3.28 -2.71 0.00 7.94 -0.35 -4.90 117.00 120.04 2jo0 n LEU 61 Ca 0.00 -5.24 -0.34 0.00 -1.11 0.00 0.00 56.01 49.31 2jo0 n LEU 61 Cb 0.32 -0.11 0.03 0.00 0.53 0.00 0.00 43.42 44.19 2jo0 n LEU 61 CO 0.00 2.25 0.98 0.61 -1.11 0.00 0.00 177.39 180.12 2jo0 n GLY 62 N -0.13 5.75 1.59 -3.96 0.00 -1.25 -4.45 105.19 102.73 2jo0 n GLY 62 Ca 0.29 -2.59 -0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.53 0.82 -0.60 1.61 -0.04 -1.26 -4.81 135.00 130.19 2jo0 n PRO 63 Ca 0.48 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 2jo0 n PRO 63 Cb 0.43 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.59 0.00 0.00 0.55 0.00 -1.26 -4.34 120.51 117.05 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 0.41 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.93 2.39 0.28 0.00 0.00 -1.26 -4.87 120.51 117.97 2jo0 n ALA 65 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2jo0 n ALA 65 Cb 0.18 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.42 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 -0.66 0.00 2.02 -1.91 -1.74 112.91 110.62 2jo0 h THR 66 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 2jo0 h THR 66 Cb 0.00 0.64 -0.12 0.00 -1.74 0.00 0.00 68.15 66.93 2jo0 h THR 66 CO 0.00 0.00 -0.03 0.25 0.37 0.00 0.00 175.52 176.11 2jo0 h LEU 67 N 0.00 -0.36 -0.88 2.58 6.46 -1.90 -1.84 115.31 119.37 2jo0 h LEU 67 Ca 0.00 0.17 0.23 0.00 -0.12 0.00 0.00 57.88 58.17 2jo0 h LEU 67 Cb 0.45 0.32 -0.14 0.00 -0.73 0.00 0.00 40.66 40.56 2jo0 h LEU 67 CO 0.00 -0.15 0.26 -0.33 -0.62 0.00 0.00 178.44 177.60 2jo0 h GLU 68 N 0.09 0.23 -0.00 1.25 5.08 -1.70 0.35 114.58 119.88 2jo0 h GLU 68 Ca 0.35 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.46 2jo0 h GLU 68 Cb 0.57 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2jo0 h GLU 68 CO -0.59 0.15 -0.95 1.05 -1.00 0.00 0.00 179.01 177.67 2jo0 h GLU 69 N 0.23 0.45 -0.12 2.33 4.11 -1.67 -3.26 114.58 116.66 2jo0 h GLU 69 Ca 0.56 -0.48 -0.10 0.00 0.07 0.00 0.00 59.36 59.40 2jo0 h GLU 69 Cb 1.12 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2jo0 h GLU 69 CO -0.63 1.13 -0.39 0.52 0.07 0.00 0.00 179.01 179.71 2jo0 h MET 70 N 0.25 0.25 0.37 1.06 2.86 0.35 0.25 114.93 120.32 2jo0 h MET 70 Ca -0.08 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2jo0 h MET 70 Cb 1.59 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.25 2jo0 h MET 70 CO 0.17 0.60 -0.18 1.98 1.06 0.00 0.00 176.91 180.54 2jo0 h MET 71 N 0.21 -0.48 -0.64 1.72 1.85 -0.74 -2.51 114.93 114.33 2jo0 h MET 71 Ca 0.02 0.03 0.07 0.00 -0.61 0.00 0.00 59.70 59.21 2jo0 h MET 71 Cb 0.79 0.11 -0.06 0.00 0.43 0.00 0.00 31.60 32.87 2jo0 h MET 71 CO 0.06 -0.29 0.33 1.15 -0.40 0.00 0.00 176.91 177.76 2jo0 h THR 72 N -0.55 0.92 0.00 -0.77 2.02 -1.49 -2.90 112.91 110.14 2jo0 h THR 72 Ca -0.05 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2jo0 h THR 72 Cb 0.41 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2jo0 h THR 72 CO 0.08 0.11 -0.08 0.00 0.37 0.00 0.00 175.52 176.01 2jo0 h ALA 73 N 1.36 1.10 0.00 6.16 0.00 -0.36 -2.34 119.26 125.19 2jo0 h ALA 73 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2jo0 h ALA 73 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jo0 h ALA 73 CO -0.21 0.10 -0.72 0.00 0.00 0.00 0.00 179.25 178.41 2jo0 s GLN 75 N -3.19 3.18 0.00 0.00 1.03 -0.88 -2.83 119.66 116.97 2jo0 s GLN 75 Ca 0.05 1.02 0.00 0.00 0.04 0.00 0.00 55.36 56.47 2jo0 s GLN 75 Cb 0.13 -4.21 0.00 0.00 0.03 0.00 0.00 33.01 28.96 2jo0 s GLN 75 CO 0.74 -2.05 0.00 0.41 -2.54 0.00 0.00 175.29 171.85 2jo0 n GLY 76 N 5.42 1.39 0.45 2.60 0.00 -0.72 -4.78 105.19 109.55 2jo0 n GLY 76 Ca 0.20 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 0.24 -0.12 1.61 2.07 -1.84 -1.35 116.25 116.86 2jo0 h VAL 77 Ca 0.00 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 2jo0 h VAL 77 Cb 0.00 0.40 -0.19 0.00 -1.52 0.00 0.00 31.29 29.98 2jo0 h VAL 77 CO 0.00 0.00 -0.45 0.61 0.02 0.00 0.00 177.57 177.75 2jo0 n GLY 78 N -1.59 1.70 2.38 2.17 0.00 -1.26 -5.06 105.19 103.52 2jo0 n GLY 78 Ca 0.15 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.97 2.49 3.62 -0.02 0.00 -0.51 -4.13 105.19 105.67 2jo0 n GLY 79 Ca -0.08 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 2jo0 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jo0 s PRO 80 N -0.40 3.63 -0.76 1.61 0.04 -1.26 -4.18 135.00 133.68 2jo0 s PRO 80 Ca 0.33 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.77 2jo0 s PRO 80 Cb 0.07 -4.09 -0.13 0.00 0.04 0.00 0.00 34.50 30.38 2jo0 s PRO 80 CO -0.17 -1.50 1.94 0.41 0.04 0.00 0.00 177.00 177.72 2jo0 n GLY 81 N 4.95 2.63 3.51 0.56 0.00 -1.26 -4.90 105.19 110.68 2jo0 n GLY 81 Ca 0.20 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 6.56 0.42 -3.93 1.61 1.44 -1.26 -4.93 115.22 115.14 2jo0 n HIS 82 Ca 0.47 0.11 -0.15 0.00 -2.01 0.00 0.00 57.72 56.14 2jo0 n HIS 82 Cb 0.32 -1.47 -0.15 0.00 0.12 0.00 0.00 29.99 28.81 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 7.91 0.16 1.06 -1.40 2.36 -1.26 -5.17 119.74 123.40 2jo0 s LYS 83 Ca 1.25 0.02 -0.13 0.00 -2.55 0.00 0.00 55.97 54.56 2jo0 s LYS 83 Cb -0.81 -0.26 0.23 0.00 -1.05 0.00 0.00 37.83 35.94 2jo0 s LYS 83 CO 0.46 -0.05 1.07 0.00 1.55 0.00 0.00 175.35 178.38 2jo0 s ALA 84 N 0.46 0.41 -1.18 3.13 0.00 -1.26 -4.92 121.76 118.40 2jo0 s ALA 84 Ca -0.04 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.44 2jo0 s ALA 84 Cb -0.07 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2jo0 s ALA 84 CO -0.01 -3.22 1.99 0.54 0.00 0.00 0.00 175.76 175.05 2jo0 n ARG 85 N -4.46 2.33 -3.69 0.00 3.00 -1.26 -4.82 116.66 107.76 2jo0 n ARG 85 Ca 0.04 -2.51 -0.10 0.00 -0.01 0.00 0.00 57.85 55.27 2jo0 n ARG 85 Cb 0.56 -3.30 -0.06 0.00 0.00 0.00 0.00 32.46 29.67 2jo0 n ARG 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2jo0 s VAL 86 N 5.20 0.08 -1.58 1.55 0.11 -1.26 -5.38 120.40 119.12 2jo0 s VAL 86 Ca 0.55 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2jo0 s VAL 86 Cb 0.10 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 2jo0 s VAL 86 CO 0.04 -0.38 0.39 0.00 -3.33 0.00 0.00 175.10 171.83