#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 2.54 -4.14 6.12 2.88 -1.26 -5.05 113.62 114.72 2jo0 n SER 2 Ca 0.00 1.01 -0.30 0.00 -1.33 0.00 0.00 58.87 58.25 2jo0 n SER 2 Cb 0.00 -1.54 0.21 0.00 -0.75 0.00 0.00 64.21 62.12 2jo0 n SER 2 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2jo0 s PRO 3 N -2.65 -0.29 -0.06 -1.46 0.04 -1.26 -5.03 135.00 124.29 2jo0 s PRO 3 Ca 0.68 -0.01 0.24 0.00 0.04 0.00 0.00 61.00 61.95 2jo0 s PRO 3 Cb -0.44 -1.70 0.43 0.00 0.04 0.00 0.00 34.50 32.82 2jo0 s PRO 3 CO 0.52 -3.10 1.15 0.25 0.04 0.00 0.00 177.00 175.86 2jo0 n THR 4 N -4.34 0.26 0.00 1.26 -2.24 -1.26 -5.07 114.28 102.89 2jo0 n THR 4 Ca 0.12 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 2jo0 n THR 4 Cb 0.59 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 2jo0 n THR 4 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jo0 n SER 5 N 0.23 0.00 -1.95 3.42 7.64 -1.26 -4.05 113.62 117.65 2jo0 n SER 5 Ca 0.04 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.87 2jo0 n SER 5 Cb 1.06 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.25 2jo0 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jo0 n ILE 6 N 0.46 -0.15 -1.62 0.44 0.00 -1.26 -4.66 119.36 112.57 2jo0 n ILE 6 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 62.75 62.76 2jo0 n ILE 6 Cb 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 39.64 39.02 2jo0 n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jo0 n LEU 7 N -2.12 0.36 0.00 9.51 -0.00 -1.26 -4.85 117.00 118.65 2jo0 n LEU 7 Ca -0.06 -1.10 0.00 0.00 -0.00 0.00 0.00 56.01 54.85 2jo0 n LEU 7 Cb 0.40 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 2jo0 n LEU 7 CO 0.07 0.27 0.27 0.47 -0.00 0.00 0.00 177.39 178.47 2jo0 n ASP 8 N -0.19 1.04 -4.15 1.45 8.00 -1.26 -5.07 116.55 116.38 2jo0 n ASP 8 Ca 0.02 -1.21 -0.13 0.00 0.71 0.00 0.00 54.79 54.18 2jo0 n ASP 8 Cb 0.64 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 2jo0 n ASP 8 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2jo0 s ILE 9 N -0.21 0.08 0.56 0.53 -4.36 -1.26 -5.01 121.20 111.53 2jo0 s ILE 9 Ca 0.00 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.19 2jo0 s ILE 9 Cb 0.00 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 2jo0 s ILE 9 CO 0.00 0.00 1.23 0.00 0.24 0.00 0.00 174.94 176.41 2jo0 s ARG 10 N -4.08 3.17 0.27 0.37 1.04 -1.26 -5.07 118.95 113.40 2jo0 s ARG 10 Ca 0.39 1.89 0.07 0.00 -1.04 0.00 0.00 55.73 57.04 2jo0 s ARG 10 Cb 0.07 -2.09 -0.03 0.00 -2.04 0.00 0.00 34.95 30.85 2jo0 s ARG 10 CO 0.14 -1.07 0.25 1.14 -0.04 0.00 0.00 175.30 175.72 2jo0 s GLN 11 N -3.12 2.96 -0.38 3.89 -2.07 -1.26 -5.09 119.66 114.60 2jo0 s GLN 11 Ca 0.73 -1.06 0.02 0.00 -1.82 0.00 0.00 55.36 53.23 2jo0 s GLN 11 Cb -0.32 -2.60 0.29 0.00 -1.09 0.00 0.00 33.01 29.28 2jo0 s GLN 11 CO 0.36 0.32 1.19 0.41 -1.32 0.00 0.00 175.29 176.25 2jo0 n GLY 12 N -1.28 -1.00 1.75 2.60 0.00 -1.26 -5.04 105.19 100.96 2jo0 n GLY 12 Ca -0.06 0.66 -0.01 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 1.16 0.75 0.00 1.61 -0.04 -1.26 -4.35 135.00 132.86 2jo0 n PRO 13 Ca 0.02 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2jo0 n PRO 13 Cb 0.70 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 1.82 0.00 -0.16 0.54 5.02 -1.26 -4.72 118.16 119.40 2jo0 n LYS 14 Ca 0.04 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.29 2jo0 n LYS 14 Cb 0.37 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.43 2jo0 n LYS 14 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2jo0 h GLU 15 N 0.00 0.43 -1.40 1.97 3.07 -1.79 -3.29 114.58 113.57 2jo0 h GLU 15 Ca 0.00 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 2jo0 h GLU 15 Cb 0.00 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 2jo0 h GLU 15 CO 0.00 0.28 0.06 -0.35 -1.40 0.00 0.00 179.01 177.61 2jo0 n PRO 16 N -4.92 1.12 -0.10 2.33 -0.04 -1.26 -4.72 135.00 127.41 2jo0 n PRO 16 Ca 0.04 -0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.16 2jo0 n PRO 16 Cb 0.15 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2jo0 n PRO 16 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2jo0 h PHE 17 N 0.52 -0.99 -0.36 0.54 -1.00 -1.81 -0.57 116.94 113.27 2jo0 h PHE 17 Ca 0.05 0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.78 2jo0 h PHE 17 Cb 1.08 0.49 -0.01 0.00 3.61 0.00 0.00 35.95 41.11 2jo0 h PHE 17 CO 0.22 -0.40 -0.24 0.07 -1.61 0.00 0.00 178.31 176.35 2jo0 h ARG 18 N -0.30 0.71 0.00 1.51 -0.00 -1.84 0.21 114.38 114.67 2jo0 h ARG 18 Ca 0.15 -0.29 0.00 0.00 -0.00 0.00 0.00 59.98 59.85 2jo0 h ARG 18 Cb 0.55 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.49 2jo0 h ARG 18 CO -0.52 0.88 0.00 -0.25 -0.00 0.00 0.00 179.97 180.08 2jo0 n ASP 19 N -4.11 0.00 0.00 0.08 9.92 -0.50 -2.78 116.55 119.16 2jo0 n ASP 19 Ca -0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 2jo0 n ASP 19 Cb 0.43 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 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 -1.37 0.00 -0.16 1.24 9.36 -0.34 -4.66 117.16 121.23 2jo0 n TYR 20 Ca 0.07 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.28 2jo0 n TYR 20 Cb 0.16 0.00 0.24 0.00 -0.63 0.00 0.00 39.34 39.11 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 1.20 0.03 2.97 3.04 -0.63 0.26 116.25 123.12 2jo0 h VAL 21 Ca 0.00 -0.51 0.03 0.00 -1.01 0.00 0.00 66.70 65.21 2jo0 h VAL 21 Cb 0.51 0.34 -0.05 0.00 -2.01 0.00 0.00 31.29 30.09 2jo0 h VAL 21 CO 0.00 0.22 -0.38 -0.78 -1.01 0.00 0.00 177.57 175.62 2jo0 h ASP 22 N 0.89 -1.14 0.92 3.17 3.58 -1.75 0.71 116.42 122.80 2jo0 h ASP 22 Ca 0.23 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.81 2jo0 h ASP 22 Cb 0.04 0.44 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 2jo0 h ASP 22 CO -0.04 -0.44 -0.04 0.03 -2.88 0.00 0.00 179.24 175.87 2jo0 h ARG 23 N -0.56 0.00 0.10 0.28 2.47 -1.67 0.01 114.38 115.01 2jo0 h ARG 23 Ca 0.05 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2jo0 h ARG 23 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2jo0 h ARG 23 CO -0.28 0.04 -0.05 0.35 0.56 0.00 0.00 179.97 180.60 2jo0 h PHE 24 N 0.00 -0.12 0.00 3.04 3.04 -0.32 -3.40 116.94 119.18 2jo0 h PHE 24 Ca -0.00 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2jo0 h PHE 24 Cb 0.52 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 2jo0 h PHE 24 CO 0.00 -0.08 -0.07 1.88 -2.02 0.00 0.00 178.31 178.03 2jo0 h TYR 25 N -0.57 0.00 -0.31 0.41 -1.99 -0.65 -0.82 116.97 113.04 2jo0 h TYR 25 Ca -0.01 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.81 2jo0 h TYR 25 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 2jo0 h TYR 25 CO 0.02 0.07 0.51 1.57 -0.00 0.00 0.00 178.16 180.32 2jo0 h LYS 26 N 0.00 0.00 0.00 4.88 5.09 -1.20 -1.91 116.57 123.43 2jo0 h LYS 26 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.47 2jo0 h LYS 26 Cb 0.13 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.42 2jo0 h LYS 26 CO 0.01 0.00 -1.89 2.41 -2.09 0.00 0.00 179.45 177.89 2jo0 n THR 27 N -3.34 0.95 -0.29 0.07 -1.04 -0.36 -4.64 114.28 105.63 2jo0 n THR 27 Ca 0.05 -0.22 0.11 0.00 -2.04 0.00 0.00 64.05 61.95 2jo0 n THR 27 Cb 0.64 -1.74 0.26 0.00 -1.82 0.00 0.00 70.33 67.66 2jo0 n THR 27 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2jo0 h LEU 28 N -0.61 -0.01 0.00 -4.42 6.46 -1.31 0.31 115.31 115.74 2jo0 h LEU 28 Ca -0.41 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 2jo0 h LEU 28 Cb 1.34 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.52 2jo0 h LEU 28 CO -0.25 -0.12 0.06 -2.11 -0.62 0.00 0.00 178.44 175.40 2jo0 n ARG 29 N -5.21 0.00 0.00 1.25 -4.01 -0.73 -0.54 116.66 107.42 2jo0 n ARG 29 Ca 0.19 0.25 0.00 0.00 -1.04 0.00 0.00 57.85 57.25 2jo0 n ARG 29 Cb 0.61 -1.56 0.00 0.00 -3.04 0.00 0.00 32.46 28.48 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 -1.21 1.08 0.00 2.89 0.00 0.08 -4.49 120.51 118.86 2jo0 n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jo0 n ALA 30 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2jo0 n ALA 30 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jo0 n GLU 31 N -0.57 3.08 0.00 0.00 0.28 -0.98 -4.79 120.64 117.67 2jo0 n GLU 31 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jo0 n GLU 31 Cb 0.00 -0.61 0.00 0.00 1.43 0.00 0.00 31.44 32.26 2jo0 n GLU 31 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2jo0 n GLN 32 N -0.81 2.24 -0.10 3.44 1.13 -0.17 -5.05 117.38 118.06 2jo0 n GLN 32 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2jo0 n GLN 32 Cb 0.00 -0.79 0.00 0.00 0.11 0.00 0.00 30.24 29.56 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 -0.97 0.00 -1.02 -1.58 0.00 0.30 -4.85 120.51 112.39 2jo0 n ALA 33 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2jo0 n ALA 33 Cb 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 0.00 6.57 -3.00 0.00 7.64 -1.26 -4.85 113.62 118.72 2jo0 n SER 34 Ca 0.00 -2.43 -0.19 0.00 1.01 0.00 0.00 58.87 57.26 2jo0 n SER 34 Cb 0.00 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 2jo0 n SER 34 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jo0 n GLN 35 N 3.58 1.93 -4.08 1.43 -0.06 -1.26 -4.75 117.38 114.17 2jo0 n GLN 35 Ca 0.58 -1.30 -0.10 0.00 -2.00 0.00 0.00 57.00 54.18 2jo0 n GLN 35 Cb 0.31 -2.33 -0.07 0.00 -4.06 0.00 0.00 30.24 24.08 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2jo0 s GLU 36 N 3.11 1.43 0.56 3.69 2.12 -1.26 -5.03 118.70 123.31 2jo0 s GLU 36 Ca 0.40 -1.42 0.26 0.00 0.36 0.00 0.00 54.97 54.57 2jo0 s GLU 36 Cb 0.12 0.39 1.51 0.00 0.26 0.00 0.00 34.13 36.41 2jo0 s GLU 36 CO -0.03 -0.55 2.07 0.28 -0.54 0.00 0.00 175.26 176.49 2jo0 h VAL 37 N 2.39 0.63 0.00 3.70 2.07 -2.03 -2.72 116.25 120.28 2jo0 h VAL 37 Ca -0.30 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2jo0 h VAL 37 Cb 1.25 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2jo0 h VAL 37 CO 0.42 0.00 0.04 1.17 0.02 0.00 0.00 177.57 179.22 2jo0 n LYS 38 N -4.09 0.67 0.29 1.57 0.00 -1.26 -4.04 118.16 111.29 2jo0 n LYS 38 Ca 0.04 -0.20 0.19 0.00 0.00 0.00 0.00 58.31 58.33 2jo0 n LYS 38 Cb 0.38 -1.47 0.83 0.00 0.00 0.00 0.00 35.03 34.77 2jo0 n LYS 38 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 2jo0 h ASN 39 N 3.45 0.00 -2.47 3.14 -0.73 -1.78 -3.45 115.58 113.75 2jo0 h ASN 39 Ca 0.04 0.00 -0.61 0.00 1.87 0.00 0.00 56.30 57.60 2jo0 h ASN 39 Cb 0.57 0.00 0.10 0.00 0.27 0.00 0.00 38.32 39.26 2jo0 h ASN 39 CO 0.16 0.00 0.28 0.00 -0.37 0.00 0.00 177.43 177.50 2jo0 n ALA 40 N -2.06 0.01 -1.27 1.57 0.00 -1.26 -3.59 120.51 113.91 2jo0 n ALA 40 Ca -0.00 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.81 2jo0 n ALA 40 Cb 0.23 -2.08 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 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 1.14 -0.22 -4.28 0.00 2.81 -1.26 -5.07 117.12 110.24 2jo0 n MET 41 Ca 0.11 0.53 -0.15 0.00 -1.81 0.00 0.00 57.70 56.37 2jo0 n MET 41 Cb 0.31 -4.17 -0.10 0.00 -0.71 0.00 0.00 33.22 28.55 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 -2.12 0.54 -0.71 2.03 -4.23 -1.24 -5.04 115.64 104.87 2jo0 s THR 42 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 2jo0 s THR 42 Cb 0.00 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2jo0 s THR 42 CO 0.00 -0.15 0.78 -1.84 -0.54 0.00 0.00 174.62 172.87 2jo0 n GLU 43 N -0.37 0.00 0.00 3.99 0.00 -1.26 -4.12 120.64 118.88 2jo0 n GLU 43 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 57.16 57.44 2jo0 n GLU 43 Cb 0.65 -1.66 0.00 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 -1.28 0.06 0.00 3.84 5.66 -1.26 -4.80 114.28 116.50 2jo0 n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jo0 n THR 44 Cb 0.16 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 2jo0 n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jo0 n LEU 45 N 0.86 0.00 0.00 1.09 -0.00 -1.26 -4.69 117.00 113.00 2jo0 n LEU 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2jo0 n LEU 45 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 2jo0 n LEU 45 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 177.39 177.57 2jo0 n LEU 46 N 0.92 0.00 -3.99 1.47 7.99 -1.26 -4.77 117.00 117.36 2jo0 n LEU 46 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.75 2jo0 n LEU 46 Cb 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 43.14 2jo0 n LEU 46 CO 0.00 0.00 -0.46 -0.69 -1.51 0.00 0.00 177.39 174.73 2jo0 s VAL 47 N -1.83 1.08 0.17 4.08 1.01 -1.26 -4.79 120.40 118.86 2jo0 s VAL 47 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 61.98 61.23 2jo0 s VAL 47 Cb 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 36.38 35.21 2jo0 s VAL 47 CO 0.00 0.35 1.36 0.00 0.00 0.00 0.00 175.10 176.81 2jo0 n GLN 48 N 4.13 1.62 -3.83 2.72 6.02 -1.26 -2.24 117.38 124.54 2jo0 n GLN 48 Ca -0.20 0.58 -0.25 0.00 -0.01 0.00 0.00 57.00 57.11 2jo0 n GLN 48 Cb 0.51 -2.21 -0.04 0.00 1.02 0.00 0.00 30.24 29.52 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 2.45 -0.60 -4.50 1.08 5.15 -1.26 -4.86 115.26 112.72 2jo0 n ASN 49 Ca 0.15 -0.89 -0.43 0.00 -0.60 0.00 0.00 54.58 52.81 2jo0 n ASN 49 Cb 0.26 -1.09 -0.00 0.00 -0.53 0.00 0.00 39.78 38.42 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 -3.58 -1.17 -2.71 5.20 0.00 -0.95 -4.98 120.51 112.31 2jo0 n ALA 50 Ca -0.17 0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 2jo0 n ALA 50 Cb 0.44 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.83 6.36 0.23 0.00 2.47 -1.26 -4.87 114.94 117.04 2jo0 s ASN 51 Ca 0.62 0.43 -0.08 0.00 0.42 0.00 0.00 52.86 54.25 2jo0 s ASN 51 Cb -0.67 -2.02 0.22 0.00 -1.45 0.00 0.00 41.25 37.33 2jo0 s ASN 51 CO 0.58 -0.15 1.88 1.55 -3.72 0.00 0.00 177.10 177.24 2jo0 h PRO 52 N 1.44 1.05 0.97 0.43 0.13 -1.91 0.40 132.00 134.51 2jo0 h PRO 52 Ca -0.49 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.53 2jo0 h PRO 52 Cb 1.20 -0.24 0.01 0.00 0.13 0.00 0.00 31.00 32.11 2jo0 h PRO 52 CO 0.65 0.70 -0.47 -0.44 -0.23 0.00 0.00 178.00 178.21 2jo0 h ASP 53 N 1.08 -1.10 -0.17 1.44 5.19 -1.95 -2.71 116.42 118.20 2jo0 h ASP 53 Ca 0.32 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.75 2jo0 h ASP 53 Cb -0.05 0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2jo0 h ASP 53 CO -0.09 -0.78 0.05 0.00 -3.12 0.00 0.00 179.24 175.29 2jo0 h LYS 55 N 0.35 -0.26 0.00 0.00 1.63 -0.80 0.12 116.57 117.61 2jo0 h LYS 55 Ca 0.08 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2jo0 h LYS 55 Cb 0.16 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2jo0 h LYS 55 CO -0.00 -0.17 0.00 -2.37 -3.45 0.00 0.00 179.45 173.46 2jo0 n THR 56 N -5.41 0.69 -0.02 1.00 5.66 -0.86 -2.61 114.28 112.74 2jo0 n THR 56 Ca 0.01 0.04 -0.01 0.00 -3.05 0.00 0.00 64.05 61.04 2jo0 n THR 56 Cb 0.35 -0.89 -0.00 0.00 -1.55 0.00 0.00 70.33 68.23 2jo0 n THR 56 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2jo0 h ILE 57 N 0.00 0.00 -0.14 1.09 2.04 -0.89 -3.39 117.51 116.21 2jo0 h ILE 57 Ca 0.00 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.63 2jo0 h ILE 57 Cb 0.49 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2jo0 h ILE 57 CO 0.00 0.00 0.19 -0.07 0.00 0.00 0.00 178.15 178.27 2jo0 h LEU 58 N -0.27 0.00 -0.55 1.44 4.07 -0.94 -0.89 115.31 118.16 2jo0 h LEU 58 Ca 0.00 0.00 0.22 0.00 0.08 0.00 0.00 57.88 58.18 2jo0 h LEU 58 Cb 0.13 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.79 2jo0 h LEU 58 CO 0.00 0.00 0.32 1.17 -1.08 0.00 0.00 178.44 178.85 2jo0 n LYS 59 N -3.67 -0.03 0.00 1.13 0.00 -1.07 -1.48 118.16 113.04 2jo0 n LYS 59 Ca 0.01 0.66 0.00 0.00 0.00 0.00 0.00 58.31 58.98 2jo0 n LYS 59 Cb 0.30 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.10 2jo0 n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jo0 n ALA 60 N -2.62 1.24 -1.49 3.14 0.00 -0.55 -4.47 120.51 115.76 2jo0 n ALA 60 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 2jo0 n ALA 60 Cb 0.68 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.84 6.49 -2.65 0.00 7.94 -0.45 -4.68 117.00 122.82 2jo0 n LEU 61 Ca 0.00 -4.07 -0.35 0.00 -1.11 0.00 0.00 56.01 50.49 2jo0 n LEU 61 Cb 0.00 -1.23 0.03 0.00 0.53 0.00 0.00 43.42 42.76 2jo0 n LEU 61 CO 0.00 1.72 1.07 0.61 -1.11 0.00 0.00 177.39 179.69 2jo0 n GLY 62 N 0.84 5.77 1.80 -3.96 0.00 -1.23 -4.44 105.19 103.96 2jo0 n GLY 62 Ca 0.49 -2.55 -0.04 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.59 1.12 -0.57 1.61 -0.04 -1.26 -4.81 135.00 130.45 2jo0 n PRO 63 Ca 0.51 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2jo0 n PRO 63 Cb 0.46 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.99 0.00 0.09 0.55 0.00 -1.26 -4.51 120.51 117.37 2jo0 n ALA 64 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2jo0 n ALA 64 Cb 0.54 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.77 3.00 0.25 0.00 0.00 -1.26 -4.89 120.51 118.38 2jo0 n ALA 65 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2jo0 n ALA 65 Cb 0.24 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.65 0.00 2.02 -1.91 -2.06 112.91 110.31 2jo0 h THR 66 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 2jo0 h THR 66 Cb 0.00 0.58 -0.09 0.00 -1.74 0.00 0.00 68.15 66.90 2jo0 h THR 66 CO 0.00 0.00 0.18 0.25 0.37 0.00 0.00 175.52 176.32 2jo0 h LEU 67 N 0.00 0.08 -1.32 2.58 6.46 -1.90 -2.30 115.31 118.91 2jo0 h LEU 67 Ca 0.00 0.11 0.27 0.00 -0.12 0.00 0.00 57.88 58.14 2jo0 h LEU 67 Cb 0.38 0.13 -0.10 0.00 -0.73 0.00 0.00 40.66 40.35 2jo0 h LEU 67 CO 0.00 0.04 0.67 -0.33 -0.62 0.00 0.00 178.44 178.19 2jo0 h GLU 68 N 0.31 0.39 0.07 1.25 5.08 -1.74 0.21 114.58 120.16 2jo0 h GLU 68 Ca 0.34 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.39 2jo0 h GLU 68 Cb 0.51 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.70 2jo0 h GLU 68 CO -0.40 0.26 -1.16 1.05 -1.00 0.00 0.00 179.01 177.75 2jo0 h GLU 69 N 0.41 0.66 0.00 2.33 4.11 -1.67 -3.36 114.58 117.06 2jo0 h GLU 69 Ca 0.61 -0.81 -0.02 0.00 0.07 0.00 0.00 59.36 59.22 2jo0 h GLU 69 Cb 1.51 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 2jo0 h GLU 69 CO -0.32 1.36 -0.07 0.52 0.07 0.00 0.00 179.01 180.56 2jo0 h MET 70 N 0.33 0.00 0.01 1.06 2.86 -0.12 0.14 114.93 119.21 2jo0 h MET 70 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2jo0 h MET 70 Cb 1.83 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.49 2jo0 h MET 70 CO 0.23 0.07 -0.01 1.98 1.06 0.00 0.00 176.91 180.24 2jo0 h MET 71 N 0.00 -0.02 -1.01 1.72 1.85 -1.26 -2.94 114.93 113.28 2jo0 h MET 71 Ca -0.00 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.13 2jo0 h MET 71 Cb 0.30 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.28 2jo0 h MET 71 CO 0.01 -0.01 0.66 1.15 -0.40 0.00 0.00 176.91 178.32 2jo0 h THR 72 N -0.02 1.18 -0.63 -0.77 2.02 -1.51 -3.14 112.91 110.03 2jo0 h THR 72 Ca -0.00 -0.44 0.11 0.00 0.77 0.00 0.00 66.41 66.85 2jo0 h THR 72 Cb 0.02 -0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.18 2jo0 h THR 72 CO -0.00 0.23 0.43 0.00 0.37 0.00 0.00 175.52 176.54 2jo0 h ALA 73 N 1.41 2.05 -0.43 6.16 0.00 -0.92 0.57 119.26 128.08 2jo0 h ALA 73 Ca 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 2jo0 h ALA 73 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jo0 h ALA 73 CO -0.12 -0.19 0.24 0.00 0.00 0.00 0.00 179.25 179.17 2jo0 n GLN 75 N -4.43 0.68 -0.10 0.00 -0.00 0.18 -3.64 117.38 110.08 2jo0 n GLN 75 Ca 0.03 -0.50 0.06 0.00 -0.00 0.00 0.00 57.00 56.59 2jo0 n GLN 75 Cb 0.09 -1.49 0.10 0.00 -0.00 0.00 0.00 30.24 28.95 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 1.42 1.32 0.03 2.61 0.00 -1.18 -4.71 105.19 104.68 2jo0 n GLY 76 Ca 0.09 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.85 2jo0 n GLY 76 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jo0 n VAL 77 N 0.58 0.72 0.00 1.61 3.14 -1.16 -4.91 118.33 118.31 2jo0 n VAL 77 Ca 0.09 0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.62 2jo0 n VAL 77 Cb 0.36 -0.89 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 2jo0 n VAL 77 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jo0 n GLY 78 N 0.43 3.16 3.78 7.55 0.00 -1.26 -5.04 105.19 113.81 2jo0 n GLY 78 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.83 2.72 0.30 -0.02 0.00 -1.26 -5.08 107.32 102.15 2jo0 s GLY 79 Ca 0.00 0.64 -0.17 0.00 0.00 0.00 0.00 44.72 45.18 2jo0 s GLY 79 CO 0.00 1.06 0.76 2.56 0.00 0.00 0.00 173.10 177.47 2jo0 s PRO 80 N -2.46 4.12 -1.06 2.90 0.04 -1.26 -4.96 135.00 132.33 2jo0 s PRO 80 Ca 0.56 0.79 -0.06 0.00 0.04 0.00 0.00 61.00 62.34 2jo0 s PRO 80 Cb -0.20 -2.57 0.28 0.00 0.04 0.00 0.00 34.50 32.05 2jo0 s PRO 80 CO 0.25 0.22 1.18 0.41 0.04 0.00 0.00 177.00 179.10 2jo0 n GLY 81 N -0.00 4.54 0.00 0.56 0.00 -1.26 -4.74 105.19 104.28 2jo0 n GLY 81 Ca 0.02 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.41 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 2.10 -2.10 -0.32 1.61 1.44 -1.26 -4.87 115.22 111.83 2jo0 n HIS 82 Ca 0.25 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.89 2jo0 n HIS 82 Cb 0.37 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.45 2jo0 n HIS 82 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2jo0 n LYS 83 N -1.12 0.76 -1.68 -1.40 4.81 -1.26 -4.95 118.16 113.32 2jo0 n LYS 83 Ca 0.00 -0.57 -0.43 0.00 -0.87 0.00 0.00 58.31 56.44 2jo0 n LYS 83 Cb 0.00 -1.88 -0.01 0.00 0.02 0.00 0.00 35.03 33.16 2jo0 n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jo0 n ALA 84 N 3.58 0.99 -2.98 3.14 0.00 -1.26 -5.04 120.51 118.94 2jo0 n ALA 84 Ca 0.16 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.88 2jo0 n ALA 84 Cb 0.18 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 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 -1.67 1.28 0.00 0.00 3.00 -1.26 -5.18 118.95 115.12 2jo0 s ARG 85 Ca 0.57 -1.07 0.00 0.00 -1.00 0.00 0.00 55.73 54.23 2jo0 s ARG 85 Cb -0.60 0.44 0.00 0.00 0.00 0.00 0.00 34.95 34.79 2jo0 s ARG 85 CO 0.61 -0.51 0.00 1.33 0.00 0.00 0.00 175.30 176.73 2jo0 n VAL 86 N -0.28 0.00 0.38 7.11 0.24 -1.26 -5.29 118.33 119.23 2jo0 n VAL 86 Ca -0.08 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.25 2jo0 n VAL 86 Cb 0.63 0.00 0.18 0.00 -1.47 0.00 0.00 33.84 33.18 2jo0 n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69