#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 -0.32 0.83 7.83 1.04 -1.26 -5.04 113.70 116.78 2jo0 s SER 2 Ca 0.00 -0.39 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 2jo0 s SER 2 Cb 0.00 0.60 0.09 0.00 0.10 0.00 0.00 66.02 66.81 2jo0 s SER 2 CO 0.00 -1.07 1.09 -2.16 0.98 0.00 0.00 173.24 172.08 2jo0 s PRO 3 N -3.85 1.81 -1.16 4.02 0.04 -1.26 -3.70 135.00 130.89 2jo0 s PRO 3 Ca 0.08 0.87 -0.08 0.00 0.04 0.00 0.00 61.00 61.91 2jo0 s PRO 3 Cb -0.02 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.72 2jo0 s PRO 3 CO -0.04 -1.87 0.37 2.41 0.04 0.00 0.00 177.00 177.91 2jo0 n THR 4 N -3.64 -0.82 -0.02 1.26 -1.04 -1.26 -4.89 114.28 103.88 2jo0 n THR 4 Ca 0.07 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.07 2jo0 n THR 4 Cb 0.55 -1.63 -0.01 0.00 -1.82 0.00 0.00 70.33 67.42 2jo0 n THR 4 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2jo0 h SER 5 N -0.73 -0.07 0.00 8.00 4.64 -1.93 -3.47 113.55 120.00 2jo0 h SER 5 Ca -0.38 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2jo0 h SER 5 Cb 1.26 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2jo0 h SER 5 CO 0.47 0.43 0.00 0.00 -0.87 0.00 0.00 176.83 176.86 2jo0 n ILE 6 N -4.83 0.00 -0.65 0.95 0.13 -1.26 -4.56 119.36 109.14 2jo0 n ILE 6 Ca -0.01 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.51 2jo0 n ILE 6 Cb 0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 38.77 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 -2.38 3.82 0.00 9.51 -0.00 -1.26 -1.82 117.00 124.86 2jo0 n LEU 7 Ca 0.00 -2.40 0.00 0.00 -0.00 0.00 0.00 56.01 53.61 2jo0 n LEU 7 Cb 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 2jo0 n LEU 7 CO 0.00 0.77 0.00 -0.67 -0.00 0.00 0.00 177.39 177.49 2jo0 n ASP 8 N 3.20 0.00 -4.71 1.45 -0.08 -1.26 -5.00 116.55 110.15 2jo0 n ASP 8 Ca 0.33 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.37 2jo0 n ASP 8 Cb 0.41 0.02 0.10 0.00 2.34 0.00 0.00 41.12 43.99 2jo0 n ASP 8 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2jo0 s ILE 9 N -1.04 2.19 0.44 5.18 -4.36 -0.76 -4.94 121.20 117.91 2jo0 s ILE 9 Ca 0.00 -0.59 -0.24 0.00 -0.26 0.00 0.00 60.65 59.56 2jo0 s ILE 9 Cb 0.00 -2.60 -0.08 0.00 1.25 0.00 0.00 42.46 41.03 2jo0 s ILE 9 CO 0.00 0.00 1.21 0.00 0.24 0.00 0.00 174.94 176.39 2jo0 s ARG 10 N -5.12 3.83 0.33 0.37 1.04 -1.26 -4.96 118.95 113.19 2jo0 s ARG 10 Ca 0.65 1.90 -0.10 0.00 -1.04 0.00 0.00 55.73 57.15 2jo0 s ARG 10 Cb -0.06 -2.54 -0.07 0.00 -2.04 0.00 0.00 34.95 30.25 2jo0 s ARG 10 CO 0.44 -0.52 0.67 -0.65 -0.04 0.00 0.00 175.30 175.20 2jo0 s GLN 11 N -2.51 3.78 0.00 3.89 -0.21 -1.26 -5.02 119.66 118.33 2jo0 s GLN 11 Ca 0.61 0.35 0.00 0.00 0.02 0.00 0.00 55.36 56.34 2jo0 s GLN 11 Cb -0.32 -2.50 0.00 0.00 1.00 0.00 0.00 33.01 31.19 2jo0 s GLN 11 CO 0.39 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 2jo0 n GLY 12 N -0.86 -1.02 0.07 3.09 0.00 -1.26 -5.02 105.19 100.18 2jo0 n GLY 12 Ca 0.01 0.36 0.09 0.00 0.00 0.00 0.00 46.02 46.49 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 0.10 -0.05 1.61 -0.04 -1.26 -4.34 135.00 131.01 2jo0 n PRO 13 Ca 0.00 0.36 0.24 0.00 -0.04 0.00 0.00 63.50 64.06 2jo0 n PRO 13 Cb 0.00 -1.69 0.64 0.00 -0.04 0.00 0.00 33.50 32.41 2jo0 n PRO 13 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2jo0 h LYS 14 N 0.00 0.00 0.00 0.54 3.11 -1.93 -3.37 116.57 114.92 2jo0 h LYS 14 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jo0 h LYS 14 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2jo0 h LYS 14 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 177.03 2jo0 n GLU 15 N -3.56 0.00 -0.73 1.90 1.02 -1.26 -4.57 120.64 113.43 2jo0 n GLU 15 Ca 0.14 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.22 2jo0 n GLU 15 Cb 0.99 -0.17 -0.05 0.00 -0.02 0.00 0.00 31.44 32.20 2jo0 n GLU 15 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jo0 n PRO 16 N -1.94 1.44 -0.17 3.49 -0.04 -1.26 -4.68 135.00 131.84 2jo0 n PRO 16 Ca 0.00 -0.56 -0.05 0.00 -0.04 0.00 0.00 63.50 62.85 2jo0 n PRO 16 Cb 0.00 -1.40 -0.04 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 1.71 -0.84 -0.44 0.54 3.57 -1.89 -2.18 116.94 117.41 2jo0 h PHE 17 Ca 0.10 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.67 2jo0 h PHE 17 Cb 1.12 0.42 -0.03 0.00 2.79 0.00 0.00 35.95 40.26 2jo0 h PHE 17 CO 0.79 -0.17 0.27 0.07 -2.23 0.00 0.00 178.31 177.04 2jo0 h ARG 18 N -0.03 0.52 0.00 1.11 -0.00 -1.94 0.10 114.38 114.15 2jo0 h ARG 18 Ca 0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.01 2jo0 h ARG 18 Cb 0.20 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.05 2jo0 h ARG 18 CO -0.40 0.35 0.00 -0.25 -0.00 0.00 0.00 179.97 179.67 2jo0 n ASP 19 N -4.83 0.00 0.00 0.08 8.00 -1.00 -2.81 116.55 116.00 2jo0 n ASP 19 Ca 0.02 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.41 2jo0 n ASP 19 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2jo0 n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jo0 n TYR 20 N -0.58 0.00 -0.25 1.24 9.36 -0.82 -4.74 117.16 121.36 2jo0 n TYR 20 Ca 0.02 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.27 2jo0 n TYR 20 Cb 0.01 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 38.88 2jo0 n TYR 20 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 2jo0 h VAL 21 N 0.00 0.78 0.53 2.97 -1.51 -0.77 0.13 116.25 118.38 2jo0 h VAL 21 Ca 0.00 -0.19 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 2jo0 h VAL 21 Cb 0.52 0.18 0.01 0.00 -2.13 0.00 0.00 31.29 29.87 2jo0 h VAL 21 CO 0.00 0.10 -0.26 -0.78 -1.23 0.00 0.00 177.57 175.41 2jo0 h ASP 22 N 0.55 -0.60 0.20 4.19 3.58 -1.78 0.11 116.42 122.67 2jo0 h ASP 22 Ca 0.38 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.80 2jo0 h ASP 22 Cb 0.46 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.67 2jo0 h ASP 22 CO -0.31 -0.36 -0.04 0.03 -2.88 0.00 0.00 179.24 175.67 2jo0 h ARG 23 N -0.81 0.00 0.00 0.28 2.47 -1.76 -0.91 114.38 113.65 2jo0 h ARG 23 Ca -0.07 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2jo0 h ARG 23 Cb 0.59 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2jo0 h ARG 23 CO 0.12 0.04 -0.39 0.35 0.56 0.00 0.00 179.97 180.65 2jo0 h PHE 24 N 0.00 0.00 0.00 3.04 3.57 -0.65 -3.41 116.94 119.48 2jo0 h PHE 24 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2jo0 h PHE 24 Cb 0.15 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2jo0 h PHE 24 CO 0.00 0.02 -0.06 1.88 -2.23 0.00 0.00 178.31 177.92 2jo0 h TYR 25 N -1.00 0.00 -1.32 0.41 -1.99 -0.61 -0.51 116.97 111.95 2jo0 h TYR 25 Ca -0.00 0.00 0.41 0.00 2.00 0.00 0.00 58.73 61.14 2jo0 h TYR 25 Cb 0.39 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.01 2jo0 h TYR 25 CO -0.16 0.06 0.88 -0.22 -0.00 0.00 0.00 178.16 178.72 2jo0 h LYS 26 N 0.00 0.12 0.00 4.88 3.11 -1.38 -2.93 116.57 120.37 2jo0 h LYS 26 Ca -0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2jo0 h LYS 26 Cb 0.12 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.33 2jo0 h LYS 26 CO 0.01 0.08 -1.02 0.25 -2.81 0.00 0.00 179.45 175.95 2jo0 n THR 27 N -4.56 0.02 -0.32 1.00 -2.24 -0.51 -4.70 114.28 102.97 2jo0 n THR 27 Ca 0.35 -0.01 0.21 0.00 -2.27 0.00 0.00 64.05 62.33 2jo0 n THR 27 Cb 1.37 -0.63 0.41 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.00 0.15 -2.06 3.22 7.12 -1.20 0.37 115.31 122.91 2jo0 h LEU 28 Ca -0.01 0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.22 2jo0 h LEU 28 Cb 1.01 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.41 2jo0 h LEU 28 CO -0.00 -0.25 0.27 0.08 -0.13 0.00 0.00 178.44 178.42 2jo0 h ARG 29 N 0.17 0.00 0.00 1.25 0.11 -1.77 -1.12 114.38 113.01 2jo0 h ARG 29 Ca 0.68 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.76 2jo0 h ARG 29 Cb 1.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.64 2jo0 h ARG 29 CO -0.71 0.00 0.00 0.00 0.10 0.00 0.00 179.97 179.36 2jo0 n ALA 30 N -1.89 1.44 -0.09 0.08 0.00 0.11 -3.87 120.51 116.29 2jo0 n ALA 30 Ca -0.02 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 2jo0 n ALA 30 Cb 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.65 2jo0 n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jo0 n GLU 31 N -0.05 0.62 0.00 0.00 -0.58 0.26 -0.31 120.64 120.58 2jo0 n GLU 31 Ca 0.00 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 2jo0 n GLU 31 Cb 0.09 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 2jo0 n GLU 31 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2jo0 n GLN 32 N -4.13 0.48 -0.42 3.49 1.13 -0.47 -4.79 117.38 112.66 2jo0 n GLN 32 Ca -0.37 -0.17 0.00 0.00 -1.94 0.00 0.00 57.00 54.53 2jo0 n GLN 32 Cb 0.81 -0.60 0.00 0.00 0.11 0.00 0.00 30.24 30.56 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 -0.12 0.00 -0.25 -1.58 0.00 -0.91 -4.87 120.51 112.78 2jo0 n ALA 33 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jo0 n ALA 33 Cb 0.10 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.74 2jo0 n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jo0 n SER 34 N -0.01 2.65 -2.12 0.00 2.88 -1.26 -4.68 113.62 111.08 2jo0 n SER 34 Ca 0.00 -1.71 -0.05 0.00 -1.33 0.00 0.00 58.87 55.79 2jo0 n SER 34 Cb 0.04 -0.56 -0.07 0.00 -0.75 0.00 0.00 64.21 62.86 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 1.78 0.92 -4.08 -1.46 7.27 -1.26 -4.49 117.38 116.06 2jo0 n GLN 35 Ca 0.01 -0.40 -0.09 0.00 0.07 0.00 0.00 57.00 56.58 2jo0 n GLN 35 Cb 0.25 -1.64 -0.09 0.00 2.41 0.00 0.00 30.24 31.17 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 1.72 0.91 0.57 3.69 2.12 -1.26 -5.02 118.70 121.43 2jo0 s GLU 36 Ca 0.27 -1.32 0.37 0.00 0.36 0.00 0.00 54.97 54.65 2jo0 s GLU 36 Cb 0.13 0.27 1.43 0.00 0.26 0.00 0.00 34.13 36.22 2jo0 s GLU 36 CO 0.00 -0.27 1.63 0.28 -0.54 0.00 0.00 175.26 176.36 2jo0 h VAL 37 N 2.84 0.18 -1.48 3.70 2.07 -1.99 -0.99 116.25 120.59 2jo0 h VAL 37 Ca -0.34 0.00 0.47 0.00 0.82 0.00 0.00 66.70 67.65 2jo0 h VAL 37 Cb 1.19 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 31.08 2jo0 h VAL 37 CO 0.58 0.00 0.99 0.11 0.02 0.00 0.00 177.57 179.27 2jo0 h LYS 38 N 0.00 0.05 0.00 1.57 1.79 -1.95 -3.40 116.57 114.62 2jo0 h LYS 38 Ca 0.59 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 2jo0 h LYS 38 Cb 2.68 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 33.32 2jo0 h LYS 38 CO -0.01 0.03 0.00 -1.71 -1.08 0.00 0.00 179.45 176.68 2jo0 n ASN 39 N -4.50 0.00 0.04 0.86 2.85 -0.38 -2.51 115.26 111.61 2jo0 n ASN 39 Ca 0.39 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.88 2jo0 n ASN 39 Cb 1.58 0.00 0.11 0.00 1.24 0.00 0.00 39.78 42.71 2jo0 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jo0 n ALA 40 N 0.00 0.77 1.01 5.20 0.00 -1.26 -2.07 120.51 124.16 2jo0 n ALA 40 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.56 2jo0 n ALA 40 Cb 0.00 -0.82 0.47 0.00 0.00 0.00 0.00 19.45 19.09 2jo0 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 n MET 41 N -1.56 0.51 -4.34 0.00 0.00 -1.05 -4.83 117.12 105.85 2jo0 n MET 41 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 2jo0 n MET 41 Cb 0.14 -1.48 -0.09 0.00 0.00 0.00 0.00 33.22 31.78 2jo0 n MET 41 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2jo0 s THR 42 N -2.00 0.31 0.41 3.17 -4.23 -0.88 -5.02 115.64 107.40 2jo0 s THR 42 Ca 0.24 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.96 2jo0 s THR 42 Cb 0.11 -2.50 0.22 0.00 1.34 0.00 0.00 72.50 71.66 2jo0 s THR 42 CO 0.18 0.00 1.62 1.05 -0.54 0.00 0.00 174.62 176.94 2jo0 h GLU 43 N 2.19 0.00 -6.14 3.99 9.09 -1.88 -3.43 114.58 118.40 2jo0 h GLU 43 Ca -0.33 0.00 -0.75 0.00 0.05 0.00 0.00 59.36 58.33 2jo0 h GLU 43 Cb 1.25 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 28.39 2jo0 h GLU 43 CO 0.51 0.00 0.44 2.41 0.05 0.00 0.00 179.01 182.42 2jo0 n THR 44 N -2.53 0.05 -1.91 -1.06 -1.04 -1.26 -4.98 114.28 101.55 2jo0 n THR 44 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2jo0 n THR 44 Cb 0.39 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 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 2.89 0.00 0.00 -4.42 -0.00 -1.26 -4.14 117.00 110.07 2jo0 n LEU 45 Ca 0.22 -0.84 0.00 0.00 -0.00 0.00 0.00 56.01 55.39 2jo0 n LEU 45 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 2jo0 n LEU 45 CO 0.68 0.63 0.00 0.00 -0.00 0.00 0.00 177.39 178.70 2jo0 n LEU 46 N 0.00 0.00 -3.72 1.47 -0.00 -1.26 -4.89 117.00 108.60 2jo0 n LEU 46 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2jo0 n LEU 46 Cb 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.88 2jo0 n LEU 46 CO 0.00 0.00 0.11 -0.69 -0.00 0.00 0.00 177.39 176.81 2jo0 s VAL 47 N -2.03 -0.00 0.54 1.47 1.01 -1.26 -4.95 120.40 115.17 2jo0 s VAL 47 Ca 0.00 0.01 0.37 0.00 0.00 0.00 0.00 61.98 62.36 2jo0 s VAL 47 Cb 0.00 -0.62 0.56 0.00 0.00 0.00 0.00 36.38 36.33 2jo0 s VAL 47 CO 0.00 0.00 1.79 1.56 0.00 0.00 0.00 175.10 178.46 2jo0 h GLN 48 N 5.63 0.01 0.00 2.72 4.20 -1.96 -0.82 115.11 124.88 2jo0 h GLN 48 Ca -0.28 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2jo0 h GLN 48 Cb 1.18 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2jo0 h GLN 48 CO 0.24 0.00 0.00 -1.71 -0.67 0.00 0.00 178.83 176.69 2jo0 n ASN 49 N -4.18 0.00 -4.51 1.46 5.15 -1.26 -4.80 115.26 107.12 2jo0 n ASN 49 Ca 0.27 -0.44 -0.57 0.00 -0.60 0.00 0.00 54.58 53.24 2jo0 n ASN 49 Cb 1.28 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 40.45 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 -0.78 0.26 -2.06 5.20 0.00 -0.32 -4.47 120.51 118.34 2jo0 n ALA 50 Ca 0.04 0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.50 2jo0 n ALA 50 Cb 0.02 -2.28 0.01 0.00 0.00 0.00 0.00 19.45 17.20 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 5.41 5.69 0.07 0.00 2.47 -1.26 -4.88 114.94 122.43 2jo0 s ASN 51 Ca 1.08 -0.40 -0.19 0.00 0.42 0.00 0.00 52.86 53.77 2jo0 s ASN 51 Cb -1.13 -0.72 -0.11 0.00 -1.45 0.00 0.00 41.25 37.84 2jo0 s ASN 51 CO 0.61 -0.72 1.47 1.55 -3.72 0.00 0.00 177.10 176.29 2jo0 h PRO 52 N 0.67 0.38 -0.01 0.43 0.13 -1.92 -1.89 132.00 129.80 2jo0 h PRO 52 Ca -0.41 -0.14 0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2jo0 h PRO 52 Cb 1.28 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2jo0 h PRO 52 CO 0.46 0.62 -0.14 0.22 -0.23 0.00 0.00 178.00 178.93 2jo0 h ASP 53 N 0.11 -0.44 -0.53 1.44 3.58 -1.96 -2.89 116.42 115.74 2jo0 h ASP 53 Ca 0.05 0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.62 2jo0 h ASP 53 Cb 0.48 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2jo0 h ASP 53 CO 0.02 -0.14 0.35 0.00 -2.88 0.00 0.00 179.24 176.60 2jo0 h LYS 55 N 0.45 -0.23 0.00 0.00 6.56 -1.26 -0.95 116.57 121.14 2jo0 h LYS 55 Ca 0.23 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.82 2jo0 h LYS 55 Cb 0.34 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2jo0 h LYS 55 CO -0.06 -0.15 -0.06 0.00 -2.06 0.00 0.00 179.45 177.12 2jo0 h THR 56 N -0.23 0.31 0.00 -0.16 1.03 -0.76 -2.58 112.91 110.51 2jo0 h THR 56 Ca 0.15 -0.37 0.00 0.00 -0.01 0.00 0.00 66.41 66.18 2jo0 h THR 56 Cb 0.47 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 2jo0 h THR 56 CO -0.42 0.06 -0.02 0.40 -0.01 0.00 0.00 175.52 175.53 2jo0 h ILE 57 N 0.00 0.00 0.00 0.00 2.04 -0.84 -3.36 117.51 115.35 2jo0 h ILE 57 Ca -0.00 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2jo0 h ILE 57 Cb 0.27 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2jo0 h ILE 57 CO 0.01 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.08 2jo0 h LEU 58 N -0.53 0.00 -1.62 1.44 4.07 -1.30 -0.41 115.31 116.97 2jo0 h LEU 58 Ca 0.00 0.00 0.25 0.00 0.08 0.00 0.00 57.88 58.21 2jo0 h LEU 58 Cb 0.02 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 2jo0 h LEU 58 CO 0.00 0.00 0.87 0.11 -1.08 0.00 0.00 178.44 178.35 2jo0 h LYS 59 N 0.00 0.00 0.00 1.13 1.79 -1.60 -1.37 116.57 116.52 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 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 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 -2.40 1.68 -2.52 3.86 0.00 -0.23 -4.88 120.51 116.02 2jo0 n ALA 60 Ca 0.19 -0.45 -0.19 0.00 0.00 0.00 0.00 53.44 52.98 2jo0 n ALA 60 Cb 1.16 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.63 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 -0.08 3.45 -3.04 0.00 0.00 -0.52 -4.91 117.00 111.90 2jo0 n LEU 61 Ca 0.00 -4.54 -0.35 0.00 0.00 0.00 0.00 56.01 51.12 2jo0 n LEU 61 Cb 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 43.42 43.48 2jo0 n LEU 61 CO 0.00 1.93 0.97 0.61 0.00 0.00 0.00 177.39 180.90 2jo0 n GLY 62 N -0.37 5.82 1.63 -3.96 0.00 -1.21 -4.48 105.19 102.63 2jo0 n GLY 62 Ca 0.28 -2.63 -0.01 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.33 0.87 -0.29 1.61 -0.04 -1.26 -4.80 135.00 130.76 2jo0 n PRO 63 Ca 0.44 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2jo0 n PRO 63 Cb 0.36 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 1.66 0.00 0.10 0.55 0.00 -1.26 -4.47 120.51 117.09 2jo0 n ALA 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2jo0 n ALA 64 Cb 0.43 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 0.98 3.00 -0.33 0.00 0.00 -1.26 -4.87 120.51 118.03 2jo0 n ALA 65 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.78 2jo0 n ALA 65 Cb 0.00 0.10 0.73 0.00 0.00 0.00 0.00 19.45 20.28 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 0.41 -0.97 0.00 2.02 -1.90 -1.65 112.91 110.81 2jo0 h THR 66 Ca 0.00 -0.01 0.29 0.00 0.77 0.00 0.00 66.41 67.46 2jo0 h THR 66 Cb 0.05 0.37 -0.18 0.00 -1.74 0.00 0.00 68.15 66.65 2jo0 h THR 66 CO 0.00 0.01 0.15 0.25 0.37 0.00 0.00 175.52 176.29 2jo0 h LEU 67 N 0.04 -0.27 -0.97 2.58 6.46 -1.90 -0.96 115.31 120.29 2jo0 h LEU 67 Ca 0.57 0.26 0.33 0.00 -0.12 0.00 0.00 57.88 58.93 2jo0 h LEU 67 Cb 2.21 0.42 -0.18 0.00 -0.73 0.00 0.00 40.66 42.38 2jo0 h LEU 67 CO -0.04 -0.34 0.24 -0.62 -0.62 0.00 0.00 178.44 177.06 2jo0 n GLU 68 N -5.41 -0.07 0.01 1.25 1.02 -0.62 0.04 120.64 116.86 2jo0 n GLU 68 Ca 0.25 1.40 -0.18 0.00 -0.02 0.00 0.00 57.16 58.62 2jo0 n GLU 68 Cb 0.84 -2.35 -0.11 0.00 -0.02 0.00 0.00 31.44 29.80 2jo0 n GLU 68 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2jo0 h GLU 69 N 0.00 0.46 0.00 3.49 -0.00 -1.42 -3.37 114.58 113.75 2jo0 h GLU 69 Ca 0.69 -0.50 -0.04 0.00 -0.00 0.00 0.00 59.36 59.51 2jo0 h GLU 69 Cb 1.64 0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 30.53 2jo0 h GLU 69 CO -0.84 1.15 -0.20 0.52 -0.00 0.00 0.00 179.01 179.64 2jo0 h MET 70 N -0.02 0.00 -0.68 1.06 0.00 -0.23 1.00 114.93 116.06 2jo0 h MET 70 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 59.70 59.72 2jo0 h MET 70 Cb 1.38 0.00 -0.08 0.00 0.00 0.00 0.00 31.60 32.91 2jo0 h MET 70 CO 0.13 0.20 0.29 1.98 0.00 0.00 0.00 176.91 179.51 2jo0 h MET 71 N 0.00 0.47 0.19 1.72 1.85 -0.61 -2.97 114.93 115.58 2jo0 h MET 71 Ca -0.00 -0.03 -0.32 0.00 -0.61 0.00 0.00 59.70 58.74 2jo0 h MET 71 Cb 0.53 -0.11 0.02 0.00 0.43 0.00 0.00 31.60 32.48 2jo0 h MET 71 CO 0.03 0.31 -1.53 1.15 -0.40 0.00 0.00 176.91 176.46 2jo0 h THR 72 N 0.49 1.10 -0.27 -0.77 2.02 -1.19 -3.41 112.91 110.88 2jo0 h THR 72 Ca 0.35 -2.55 0.08 0.00 0.77 0.00 0.00 66.41 65.06 2jo0 h THR 72 Cb 0.44 2.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 2jo0 h THR 72 CO -0.32 0.81 0.29 0.00 0.37 0.00 0.00 175.52 176.67 2jo0 h ALA 73 N 0.09 1.95 -0.16 6.16 0.00 -0.73 -0.07 119.26 126.51 2jo0 h ALA 73 Ca -0.30 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2jo0 h ALA 73 Cb 2.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2jo0 h ALA 73 CO 0.19 -0.43 0.11 0.00 0.00 0.00 0.00 179.25 179.12 2jo0 s GLN 75 N -5.04 3.79 -1.04 0.00 1.03 -0.04 -3.04 119.66 115.31 2jo0 s GLN 75 Ca -0.05 2.17 0.00 0.00 0.04 0.00 0.00 55.36 57.52 2jo0 s GLN 75 Cb 0.18 -4.17 0.00 0.00 0.03 0.00 0.00 33.01 29.05 2jo0 s GLN 75 CO 0.69 -1.34 0.00 0.41 -2.54 0.00 0.00 175.29 172.51 2jo0 n GLY 76 N 4.86 0.94 0.55 2.60 0.00 -1.26 -4.85 105.19 108.02 2jo0 n GLY 76 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.01 0.02 0.00 1.61 3.14 -1.17 -3.75 118.33 116.17 2jo0 n VAL 77 Ca -0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2jo0 n VAL 77 Cb 0.53 -0.14 0.00 0.00 -1.06 0.00 0.00 33.84 33.17 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 0.46 0.09 0.00 7.55 0.00 -1.26 -5.07 105.19 106.97 2jo0 n GLY 78 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 2.55 3.78 -0.02 0.00 -1.25 -5.11 105.19 105.15 2jo0 n GLY 79 Ca 0.00 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 2.93 0.00 1.61 0.04 -1.26 -4.81 135.00 133.51 2jo0 s PRO 80 Ca 0.00 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2jo0 s PRO 80 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2jo0 s PRO 80 CO 0.00 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.32 2jo0 n GLY 81 N -0.86 0.38 3.41 0.56 0.00 -1.26 -4.95 105.19 102.48 2jo0 n GLY 81 Ca 0.09 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.65 -3.51 1.61 1.44 -1.26 -4.89 115.22 107.96 2jo0 n HIS 82 Ca 0.00 0.32 -0.29 0.00 -2.01 0.00 0.00 57.72 55.74 2jo0 n HIS 82 Cb 0.00 -1.41 -0.13 0.00 0.12 0.00 0.00 29.99 28.57 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 -5.19 0.53 0.43 -1.40 2.20 -1.26 -5.12 119.74 109.94 2jo0 s LYS 83 Ca 0.04 -1.20 0.04 0.00 -0.36 0.00 0.00 55.97 54.49 2jo0 s LYS 83 Cb -0.02 -1.37 -0.02 0.00 -1.51 0.00 0.00 37.83 34.91 2jo0 s LYS 83 CO 0.52 -1.16 0.14 0.00 -0.36 0.00 0.00 175.35 174.50 2jo0 s ALA 84 N 1.25 3.10 0.34 3.13 0.00 -1.26 -5.19 121.76 123.13 2jo0 s ALA 84 Ca 0.16 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 2jo0 s ALA 84 Cb -0.21 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.67 2jo0 s ALA 84 CO -0.08 -0.33 0.61 0.50 0.00 0.00 0.00 175.76 176.46 2jo0 s ARG 85 N -3.66 1.98 -0.04 0.00 3.52 -1.26 -5.17 118.95 114.32 2jo0 s ARG 85 Ca 0.21 -1.51 0.03 0.00 -0.13 0.00 0.00 55.73 54.33 2jo0 s ARG 85 Cb 0.01 0.53 0.00 0.00 -1.56 0.00 0.00 34.95 33.94 2jo0 s ARG 85 CO 0.14 -0.87 -0.12 0.54 -0.81 0.00 0.00 175.30 174.18 2jo0 s VAL 86 N -2.97 1.05 0.00 7.11 0.11 -1.26 -5.34 120.40 119.10 2jo0 s VAL 86 Ca 0.22 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2jo0 s VAL 86 Cb -0.03 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2jo0 s VAL 86 CO 0.14 0.32 0.00 0.00 -3.33 0.00 0.00 175.10 172.23