#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 -0.45 1.01 7.83 0.01 -1.26 -5.17 113.70 115.67 2jo0 s SER 2 Ca 0.00 -0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.02 2jo0 s SER 2 Cb 0.00 0.57 0.20 0.00 0.21 0.00 0.00 66.02 66.99 2jo0 s SER 2 CO 0.00 -0.95 1.08 -2.16 0.41 0.00 0.00 173.24 171.62 2jo0 s PRO 3 N -3.61 0.29 -0.01 12.44 0.04 -1.26 -5.03 135.00 137.86 2jo0 s PRO 3 Ca 0.04 0.82 -0.04 0.00 0.04 0.00 0.00 61.00 61.87 2jo0 s PRO 3 Cb -0.02 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2jo0 s PRO 3 CO -0.08 -2.90 0.48 1.15 0.04 0.00 0.00 177.00 175.69 2jo0 h THR 4 N -2.03 0.00 -4.20 1.26 2.02 -2.02 -3.45 112.91 104.49 2jo0 h THR 4 Ca -0.54 -0.14 -0.50 0.00 0.77 0.00 0.00 66.41 66.00 2jo0 h THR 4 Cb 1.31 0.00 0.08 0.00 -1.74 0.00 0.00 68.15 67.80 2jo0 h THR 4 CO 0.53 0.00 0.38 -0.44 0.37 0.00 0.00 175.52 176.35 2jo0 s SER 5 N -3.15 5.59 0.10 4.18 0.01 -1.26 -4.46 113.70 114.71 2jo0 s SER 5 Ca -0.02 1.88 -0.05 0.00 1.31 0.00 0.00 55.95 59.06 2jo0 s SER 5 Cb 0.00 -2.54 -0.18 0.00 0.21 0.00 0.00 66.02 63.51 2jo0 s SER 5 CO 0.06 -1.30 1.23 0.16 0.41 0.00 0.00 173.24 173.80 2jo0 h ILE 6 N 0.33 1.43 0.00 1.44 -0.00 -1.92 -3.38 117.51 115.41 2jo0 h ILE 6 Ca -0.47 -2.69 0.00 0.00 -0.00 0.00 0.00 64.86 61.70 2jo0 h ILE 6 Cb 1.23 2.65 0.00 0.00 -0.00 0.00 0.00 36.82 40.70 2jo0 h ILE 6 CO 0.56 0.80 0.00 0.00 -0.00 0.00 0.00 178.15 179.51 2jo0 n LEU 7 N -3.67 0.00 -0.06 0.16 -0.00 -1.26 -0.59 117.00 111.58 2jo0 n LEU 7 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.82 2jo0 n LEU 7 Cb 0.92 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.19 2jo0 n LEU 7 CO 0.53 0.00 -0.88 -0.67 -0.00 0.00 0.00 177.39 176.36 2jo0 n ASP 8 N -0.33 0.64 -4.76 1.45 2.03 -1.26 -5.00 116.55 109.33 2jo0 n ASP 8 Ca 0.00 0.18 -0.30 0.00 0.52 0.00 0.00 54.79 55.19 2jo0 n ASP 8 Cb 0.00 0.33 0.12 0.00 -0.72 0.00 0.00 41.12 40.85 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 -2.54 2.83 0.07 5.18 -4.36 0.24 -4.97 121.20 117.65 2jo0 s ILE 9 Ca -0.10 0.27 -0.35 0.00 -0.26 0.00 0.00 60.65 60.20 2jo0 s ILE 9 Cb 0.07 -2.87 -0.14 0.00 1.25 0.00 0.00 42.46 40.76 2jo0 s ILE 9 CO 0.81 -0.35 1.57 -2.11 0.24 0.00 0.00 174.94 175.09 2jo0 n ARG 10 N -3.68 1.79 -2.90 0.37 -4.01 -1.26 -4.99 116.66 101.98 2jo0 n ARG 10 Ca 0.07 0.65 -0.33 0.00 -1.04 0.00 0.00 57.85 57.20 2jo0 n ARG 10 Cb 0.56 -2.39 -0.07 0.00 -3.04 0.00 0.00 32.46 27.52 2jo0 n ARG 10 CO 0.00 0.00 0.00 1.14 -3.04 0.00 0.00 177.63 175.73 2jo0 s GLN 11 N 1.44 4.17 0.00 2.89 -2.07 -1.26 -4.93 119.66 119.91 2jo0 s GLN 11 Ca 0.84 1.00 0.00 0.00 -1.82 0.00 0.00 55.36 55.38 2jo0 s GLN 11 Cb -0.79 -2.25 0.00 0.00 -1.09 0.00 0.00 33.01 28.88 2jo0 s GLN 11 CO 0.44 0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.85 2jo0 n GLY 12 N -0.56 -0.59 0.18 2.60 0.00 -1.26 -5.08 105.19 100.48 2jo0 n GLY 12 Ca 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.09 2jo0 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jo0 h PRO 13 N 0.00 0.00 -1.31 1.61 0.13 -1.91 -3.41 132.00 127.11 2jo0 h PRO 13 Ca 0.00 0.00 0.45 0.00 -0.87 0.00 0.00 66.00 65.58 2jo0 h PRO 13 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2jo0 h PRO 13 CO 0.00 0.40 0.83 1.57 -0.23 0.00 0.00 178.00 180.57 2jo0 h LYS 14 N 0.00 0.06 0.00 0.86 2.10 -1.91 -2.92 116.57 114.76 2jo0 h LYS 14 Ca -0.00 -0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 2jo0 h LYS 14 Cb 1.06 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.35 2jo0 h LYS 14 CO 0.05 0.04 -1.46 -1.91 -2.00 0.00 0.00 179.45 174.17 2jo0 n GLU 15 N -4.76 0.28 -0.71 0.07 0.00 -1.26 -3.50 120.64 110.76 2jo0 n GLU 15 Ca 0.38 0.12 -0.08 0.00 0.00 0.00 0.00 57.16 57.58 2jo0 n GLU 15 Cb 1.46 -0.97 0.01 0.00 0.00 0.00 0.00 31.44 31.93 2jo0 n GLU 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2jo0 n PRO 16 N -3.69 1.41 -0.38 5.31 -0.04 -1.11 -4.77 135.00 131.72 2jo0 n PRO 16 Ca -0.22 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 2jo0 n PRO 16 Cb 0.59 -1.32 0.06 0.00 -0.04 0.00 0.00 33.50 32.79 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 1.01 0.09 0.22 0.54 3.01 -1.17 -0.79 117.46 120.36 2jo0 n PHE 17 Ca 0.15 1.22 -0.15 0.00 1.01 0.00 0.00 57.45 59.69 2jo0 n PHE 17 Cb 0.55 -0.91 -0.08 0.00 -0.01 0.00 0.00 39.48 39.03 2jo0 n PHE 17 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jo0 h ARG 18 N 0.00 -0.49 0.00 -1.08 -0.00 -1.91 0.25 114.38 111.14 2jo0 h ARG 18 Ca 0.37 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.88 2jo0 h ARG 18 Cb 0.62 0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.70 2jo0 h ARG 18 CO -1.00 -0.30 0.00 -0.25 0.00 0.00 0.00 179.97 178.42 2jo0 n ASP 19 N -5.29 0.00 -0.05 7.04 9.92 -0.15 -2.55 116.55 125.47 2jo0 n ASP 19 Ca -0.11 -0.38 -0.09 0.00 -0.53 0.00 0.00 54.79 53.69 2jo0 n ASP 19 Cb 0.23 -0.11 -0.04 0.00 -0.64 0.00 0.00 41.12 40.57 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 -1.11 0.00 -0.26 1.24 4.19 0.03 -4.74 117.16 116.51 2jo0 n TYR 20 Ca 0.12 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.28 2jo0 n TYR 20 Cb 0.10 -0.35 0.06 0.00 0.49 0.00 0.00 39.34 39.63 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 -0.20 1.20 0.37 2.97 3.04 -0.22 0.30 116.25 123.73 2jo0 h VAL 21 Ca -0.23 -0.44 -0.00 0.00 -1.01 0.00 0.00 66.70 65.01 2jo0 h VAL 21 Cb 1.26 0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 2jo0 h VAL 21 CO -0.10 0.21 -0.46 -0.78 -1.01 0.00 0.00 177.57 175.43 2jo0 h ASP 22 N 0.99 -1.29 -0.44 3.17 3.58 -1.78 -2.48 116.42 118.16 2jo0 h ASP 22 Ca 0.26 0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.85 2jo0 h ASP 22 Cb -0.04 0.44 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2jo0 h ASP 22 CO -0.05 -0.59 0.30 0.03 -2.88 0.00 0.00 179.24 176.04 2jo0 h ARG 23 N -0.87 0.50 0.09 0.28 2.47 -1.69 -0.91 114.38 114.24 2jo0 h ARG 23 Ca -0.03 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2jo0 h ARG 23 Cb 0.79 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 2jo0 h ARG 23 CO -0.11 0.33 -0.04 0.35 0.56 0.00 0.00 179.97 181.05 2jo0 h PHE 24 N 0.51 -0.11 0.00 3.04 3.04 -0.27 -3.36 116.94 119.79 2jo0 h PHE 24 Ca 0.18 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 2jo0 h PHE 24 Cb 0.07 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 2jo0 h PHE 24 CO -0.00 -0.07 -0.18 1.88 -2.02 0.00 0.00 178.31 177.93 2jo0 h TYR 25 N -0.15 0.00 -0.96 0.41 0.05 -1.27 -1.56 116.97 113.49 2jo0 h TYR 25 Ca -0.01 0.00 0.31 0.00 0.05 0.00 0.00 58.73 59.08 2jo0 h TYR 25 Cb 0.09 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 37.67 2jo0 h TYR 25 CO 0.14 0.18 0.37 -0.22 -1.05 0.00 0.00 178.16 177.58 2jo0 h LYS 26 N 0.00 0.16 0.00 4.88 3.11 -1.31 -2.92 116.57 120.49 2jo0 h LYS 26 Ca -0.00 -0.01 -0.19 0.00 -2.81 0.00 0.00 60.65 57.64 2jo0 h LYS 26 Cb 0.46 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.63 2jo0 h LYS 26 CO 0.02 0.11 -1.62 0.25 -2.81 0.00 0.00 179.45 175.40 2jo0 n THR 27 N -5.22 1.48 -0.31 1.00 -2.24 -0.84 -4.74 114.28 103.41 2jo0 n THR 27 Ca 0.29 -0.07 0.08 0.00 -2.27 0.00 0.00 64.05 62.08 2jo0 n THR 27 Cb 0.92 -2.13 0.20 0.00 -2.10 0.00 0.00 70.33 67.22 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 -0.96 -0.54 0.00 3.22 7.12 -1.31 -3.32 115.31 119.53 2jo0 h LEU 28 Ca -0.29 0.25 0.00 0.00 0.13 0.00 0.00 57.88 57.97 2jo0 h LEU 28 Cb 1.23 0.46 0.00 0.00 -0.53 0.00 0.00 40.66 41.82 2jo0 h LEU 28 CO -0.18 -0.28 0.33 -2.11 -0.13 0.00 0.00 178.44 176.08 2jo0 n ARG 29 N -5.47 0.00 -0.07 1.25 -4.01 -1.11 -1.45 116.66 105.82 2jo0 n ARG 29 Ca 0.17 0.01 -0.04 0.00 -1.04 0.00 0.00 57.85 56.96 2jo0 n ARG 29 Cb 0.58 -1.83 -0.01 0.00 -3.04 0.00 0.00 32.46 28.15 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 0.08 0.01 -2.82 2.89 0.00 -1.90 -3.39 119.26 114.12 2jo0 h ALA 30 Ca 0.00 -0.37 -0.53 0.00 0.00 0.00 0.00 54.91 54.01 2jo0 h ALA 30 Cb 0.67 0.35 0.07 0.00 0.00 0.00 0.00 17.79 18.88 2jo0 h ALA 30 CO 0.00 0.35 0.73 -1.21 0.00 0.00 0.00 179.25 179.12 2jo0 s GLU 31 N -2.03 4.27 -1.59 0.00 8.01 -0.53 -4.19 118.70 122.65 2jo0 s GLU 31 Ca -0.11 2.32 -0.20 0.00 0.01 0.00 0.00 54.97 56.99 2jo0 s GLU 31 Cb 0.01 -3.08 0.20 0.00 -4.31 0.00 0.00 34.13 26.96 2jo0 s GLU 31 CO 0.17 -0.37 0.50 0.00 0.01 0.00 0.00 175.26 175.57 2jo0 n GLN 32 N 1.59 -0.90 -0.14 1.61 10.64 -1.26 -4.77 117.38 124.15 2jo0 n GLN 32 Ca 0.04 0.12 0.11 0.00 -1.83 0.00 0.00 57.00 55.44 2jo0 n GLN 32 Cb 0.40 -4.29 0.21 0.00 -0.86 0.00 0.00 30.24 25.70 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jo0 n ALA 33 N -3.63 0.36 -0.95 2.61 0.00 -1.26 -4.80 120.51 112.83 2jo0 n ALA 33 Ca 0.10 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.95 2jo0 n ALA 33 Cb 0.41 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -4.09 -0.70 0.07 0.00 7.64 -1.26 -4.65 113.62 110.64 2jo0 n SER 34 Ca 0.14 0.06 0.04 0.00 1.01 0.00 0.00 58.87 60.11 2jo0 n SER 34 Cb 0.47 -1.02 0.21 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.00 0.05 -1.67 1.43 7.27 -1.26 -4.52 117.38 117.68 2jo0 n GLN 35 Ca -0.02 0.48 -0.44 0.00 0.07 0.00 0.00 57.00 57.08 2jo0 n GLN 35 Cb 0.08 -1.80 -0.04 0.00 2.41 0.00 0.00 30.24 30.89 2jo0 n GLN 35 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2jo0 n GLU 36 N -1.72 2.60 -0.41 3.69 2.13 -1.26 -4.91 120.64 120.75 2jo0 n GLU 36 Ca -0.01 0.95 0.35 0.00 0.66 0.00 0.00 57.16 59.12 2jo0 n GLU 36 Cb 0.15 -2.86 0.63 0.00 0.27 0.00 0.00 31.44 29.63 2jo0 n GLU 36 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2jo0 h VAL 37 N 5.48 0.09 -0.94 6.31 3.04 -2.01 -0.47 116.25 127.73 2jo0 h VAL 37 Ca -0.49 -0.02 0.20 0.00 -1.01 0.00 0.00 66.70 65.38 2jo0 h VAL 37 Cb 1.25 0.01 -0.11 0.00 -2.01 0.00 0.00 31.29 30.43 2jo0 h VAL 37 CO 0.94 0.01 0.52 0.50 -1.01 0.00 0.00 177.57 178.53 2jo0 h LYS 38 N 0.07 0.58 0.00 4.17 3.11 -1.91 -3.43 116.57 119.16 2jo0 h LYS 38 Ca 0.83 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.64 2jo0 h LYS 38 Cb 2.49 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 33.58 2jo0 h LYS 38 CO -0.52 0.38 0.00 -1.71 -2.81 0.00 0.00 179.45 174.79 2jo0 n ASN 39 N -4.89 0.00 -3.13 4.20 5.15 -0.19 -4.76 115.26 111.64 2jo0 n ASN 39 Ca 0.23 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 54.04 2jo0 n ASN 39 Cb 0.61 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.85 2jo0 n ASN 39 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jo0 n ALA 40 N 0.00 3.65 -1.55 5.20 0.00 -1.26 -3.74 120.51 122.81 2jo0 n ALA 40 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.99 2jo0 n ALA 40 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 16.58 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 4.47 0.00 -3.96 0.00 2.81 -1.26 -5.08 117.12 114.09 2jo0 n MET 41 Ca 0.32 -0.11 -0.10 0.00 -1.81 0.00 0.00 57.70 56.00 2jo0 n MET 41 Cb 0.10 -0.23 -0.03 0.00 -0.71 0.00 0.00 33.22 32.35 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 0.00 0.00 -1.71 2.03 -4.23 -1.25 -5.03 115.64 105.46 2jo0 s THR 42 Ca 0.00 -1.32 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 2jo0 s THR 42 Cb 0.00 -2.39 0.11 0.00 1.34 0.00 0.00 72.50 71.56 2jo0 s THR 42 CO 0.00 0.00 0.88 -1.84 -0.54 0.00 0.00 174.62 173.12 2jo0 n GLU 43 N -0.46 0.11 -0.35 3.99 0.28 -1.26 -4.47 120.64 118.48 2jo0 n GLU 43 Ca -0.03 0.12 -0.29 0.00 -0.16 0.00 0.00 57.16 56.81 2jo0 n GLU 43 Cb 0.61 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.91 2jo0 n GLU 43 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2jo0 n THR 44 N -1.15 0.10 0.10 3.84 -1.04 -1.26 -4.83 114.28 110.04 2jo0 n THR 44 Ca 0.03 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2jo0 n THR 44 Cb 0.03 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 2jo0 n THR 44 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jo0 n LEU 45 N 7.49 0.08 -3.66 -4.42 4.32 -1.26 -4.73 117.00 114.82 2jo0 n LEU 45 Ca 0.31 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 2jo0 n LEU 45 Cb 0.27 -0.04 -0.01 0.00 -1.62 0.00 0.00 43.42 42.02 2jo0 n LEU 45 CO 0.95 0.02 0.97 -1.48 -1.22 0.00 0.00 177.39 176.62 2jo0 s LEU 46 N -0.15 -0.09 -0.04 2.23 -0.00 -1.26 -4.88 118.68 114.49 2jo0 s LEU 46 Ca 0.00 -0.21 -0.01 0.00 -0.00 0.00 0.00 54.13 53.91 2jo0 s LEU 46 Cb 0.00 1.60 0.03 0.00 -0.00 0.00 0.00 46.19 47.82 2jo0 s LEU 46 CO 0.00 -0.46 0.08 -0.69 -0.00 0.00 0.00 176.35 175.27 2jo0 s VAL 47 N -2.66 -0.07 0.48 1.48 1.01 -1.26 -5.01 120.40 114.36 2jo0 s VAL 47 Ca 0.14 0.23 0.16 0.00 0.00 0.00 0.00 61.98 62.51 2jo0 s VAL 47 Cb 0.03 -0.15 0.32 0.00 0.00 0.00 0.00 36.38 36.58 2jo0 s VAL 47 CO -0.02 0.10 2.04 1.56 0.00 0.00 0.00 175.10 178.77 2jo0 h GLN 48 N 7.43 0.21 -1.97 2.72 4.20 -1.93 -1.37 115.11 124.41 2jo0 h GLN 48 Ca -0.41 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.25 2jo0 h GLN 48 Cb 1.13 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 2jo0 h GLN 48 CO 0.42 0.14 -0.00 -1.71 -0.67 0.00 0.00 178.83 177.01 2jo0 n ASN 49 N -4.47 5.43 -4.60 1.46 5.15 -1.26 -4.98 115.26 111.99 2jo0 n ASN 49 Ca 0.05 -2.47 -0.34 0.00 -0.60 0.00 0.00 54.58 51.23 2jo0 n ASN 49 Cb 0.31 -1.15 0.11 0.00 -0.53 0.00 0.00 39.78 38.53 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 1.50 -0.70 -2.22 5.20 0.00 -0.52 -4.62 120.51 119.15 2jo0 n ALA 50 Ca 0.06 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 2jo0 n ALA 50 Cb 0.54 -2.10 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.94 1.53 0.28 0.00 4.22 -1.26 -5.06 114.94 112.71 2jo0 s ASN 51 Ca 0.70 -1.01 0.11 0.00 -2.14 0.00 0.00 52.86 50.51 2jo0 s ASN 51 Cb -0.30 0.03 0.36 0.00 1.28 0.00 0.00 41.25 42.63 2jo0 s ASN 51 CO 0.54 -0.38 1.62 1.55 -2.04 0.00 0.00 177.10 178.39 2jo0 h PRO 52 N 2.87 0.00 0.50 3.55 0.13 -1.98 -2.61 132.00 134.46 2jo0 h PRO 52 Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 2jo0 h PRO 52 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jo0 h PRO 52 CO 0.64 0.61 -0.28 0.22 -0.23 0.00 0.00 178.00 178.96 2jo0 h ASP 53 N 0.00 -0.68 -0.84 1.44 3.58 -1.98 -1.83 116.42 116.12 2jo0 h ASP 53 Ca -0.01 0.03 0.16 0.00 0.42 0.00 0.00 57.03 57.64 2jo0 h ASP 53 Cb 1.09 0.19 -0.06 0.00 1.72 0.00 0.00 39.33 42.26 2jo0 h ASP 53 CO 0.08 -0.44 0.55 0.00 -2.88 0.00 0.00 179.24 176.55 2jo0 h LYS 55 N 0.52 -0.49 -0.15 0.00 6.56 -1.22 -0.49 116.57 121.28 2jo0 h LYS 55 Ca 0.42 0.03 0.04 0.00 -1.06 0.00 0.00 60.65 60.09 2jo0 h LYS 55 Cb 0.88 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.65 2jo0 h LYS 55 CO -0.17 -0.33 0.12 1.15 -2.06 0.00 0.00 179.45 178.17 2jo0 h THR 56 N -0.51 0.79 0.01 -0.16 2.02 -0.54 -2.85 112.91 111.66 2jo0 h THR 56 Ca 0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 2jo0 h THR 56 Cb 0.53 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2jo0 h THR 56 CO -0.16 0.00 -0.00 0.40 0.37 0.00 0.00 175.52 176.13 2jo0 h ILE 57 N 0.00 0.00 0.00 3.11 2.04 -0.86 -3.37 117.51 118.43 2jo0 h ILE 57 Ca 0.07 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2jo0 h ILE 57 Cb 0.32 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2jo0 h ILE 57 CO -0.00 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 178.05 2jo0 h LEU 58 N -0.05 0.00 -1.97 1.44 4.07 -1.19 -0.21 115.31 117.41 2jo0 h LEU 58 Ca -0.00 0.00 0.37 0.00 0.08 0.00 0.00 57.88 58.33 2jo0 h LEU 58 Cb 0.01 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 2jo0 h LEU 58 CO 0.00 0.03 0.92 0.11 -1.08 0.00 0.00 178.44 178.41 2jo0 h LYS 59 N 0.00 0.01 0.00 1.13 1.79 -1.54 -1.06 116.57 116.90 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 0.15 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2jo0 h LYS 59 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.38 2jo0 n ALA 60 N -2.78 2.12 -2.43 3.86 0.00 -0.18 -4.82 120.51 116.28 2jo0 n ALA 60 Ca 0.28 -0.61 -0.15 0.00 0.00 0.00 0.00 53.44 52.96 2jo0 n ALA 60 Cb 1.33 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.81 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 -0.15 3.41 -2.85 0.00 0.00 -0.45 -4.91 117.00 112.06 2jo0 n LEU 61 Ca 0.00 -4.14 -0.33 0.00 0.00 0.00 0.00 56.01 51.54 2jo0 n LEU 61 Cb 0.11 -0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.53 2jo0 n LEU 61 CO 0.00 1.72 0.77 0.61 0.00 0.00 0.00 177.39 180.48 2jo0 n GLY 62 N -0.57 5.81 1.14 -3.96 0.00 -0.95 -4.36 105.19 102.31 2jo0 n GLY 62 Ca 0.27 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.40 0.94 -1.63 1.61 -0.04 -1.26 -4.83 135.00 129.39 2jo0 n PRO 63 Ca 0.43 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2jo0 n PRO 63 Cb 0.43 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.80 -0.34 0.13 0.55 0.00 -1.26 -4.65 120.51 115.73 2jo0 n ALA 64 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2jo0 n ALA 64 Cb 0.47 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.35 3.00 0.30 0.00 0.00 -1.26 -4.88 120.51 117.32 2jo0 n ALA 65 Ca -0.12 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.51 2jo0 n ALA 65 Cb 0.44 0.04 1.00 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 0.22 -0.78 0.00 2.02 -1.87 -2.65 112.91 109.85 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 0.90 -0.09 0.00 -1.74 0.00 0.00 68.15 67.22 2jo0 h THR 66 CO 0.00 0.00 0.34 0.25 0.37 0.00 0.00 175.52 176.48 2jo0 h LEU 67 N 0.00 0.36 -1.40 2.58 6.46 -1.90 -2.83 115.31 118.57 2jo0 h LEU 67 Ca 0.02 0.10 0.41 0.00 -0.12 0.00 0.00 57.88 58.29 2jo0 h LEU 67 Cb 0.24 0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.11 2jo0 h LEU 67 CO -0.00 0.14 0.82 -0.33 -0.62 0.00 0.00 178.44 178.45 2jo0 h GLU 68 N 0.50 0.13 0.05 1.25 4.39 -1.85 0.41 114.58 119.47 2jo0 h GLU 68 Ca 0.43 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.78 2jo0 h GLU 68 Cb 0.63 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2jo0 h GLU 68 CO -0.39 0.09 -1.98 -0.85 -1.16 0.00 0.00 179.01 174.72 2jo0 n GLU 69 N -4.68 0.69 0.27 2.33 0.28 -1.09 -4.31 120.64 114.13 2jo0 n GLU 69 Ca 0.35 0.24 0.13 0.00 -0.16 0.00 0.00 57.16 57.72 2jo0 n GLU 69 Cb 1.34 -1.70 0.75 0.00 1.43 0.00 0.00 31.44 33.25 2jo0 n GLU 69 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 2jo0 h MET 70 N 0.03 0.00 -0.78 3.44 2.86 -0.18 -0.43 114.93 119.87 2jo0 h MET 70 Ca -0.40 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.36 2jo0 h MET 70 Cb 2.03 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 33.56 2jo0 h MET 70 CO 0.06 0.10 -0.40 1.98 1.06 0.00 0.00 176.91 179.71 2jo0 h MET 71 N 0.00 -0.10 0.00 1.72 -1.53 -0.67 -3.23 114.93 111.12 2jo0 h MET 71 Ca -0.00 0.01 -0.36 0.00 -3.44 0.00 0.00 59.70 55.90 2jo0 h MET 71 Cb 0.30 0.02 -0.07 0.00 -0.55 0.00 0.00 31.60 31.30 2jo0 h MET 71 CO 0.01 -0.06 -2.30 2.41 0.14 0.00 0.00 176.91 177.11 2jo0 n THR 72 N -5.43 1.44 -0.33 -0.77 -1.04 -0.71 -4.34 114.28 103.10 2jo0 n THR 72 Ca 0.06 -0.81 0.22 0.00 -2.04 0.00 0.00 64.05 61.48 2jo0 n THR 72 Cb 0.36 -0.69 0.49 0.00 -1.82 0.00 0.00 70.33 68.67 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 0.85 2.18 0.00 2.41 0.00 -1.13 -0.03 119.26 123.54 2jo0 h ALA 73 Ca -0.52 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jo0 h ALA 73 Cb 2.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.99 2jo0 h ALA 73 CO 0.02 -0.60 0.14 0.00 0.00 0.00 0.00 179.25 178.81 2jo0 h GLN 75 N 0.00 0.00 0.00 0.00 -0.00 -1.25 -3.40 115.11 110.46 2jo0 h GLN 75 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jo0 h GLN 75 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 2jo0 h GLN 75 CO 0.00 0.04 0.00 0.41 -0.00 0.00 0.00 178.83 179.28 2jo0 n GLY 76 N -0.63 0.18 0.44 0.06 0.00 -1.25 -5.01 105.19 98.98 2jo0 n GLY 76 Ca -0.02 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.35 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 0.31 0.17 0.00 1.61 2.07 -1.77 -3.45 116.25 115.19 2jo0 h VAL 77 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2jo0 h VAL 77 Cb 0.12 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2jo0 h VAL 77 CO 0.00 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.22 2jo0 n GLY 78 N -1.49 1.77 3.60 2.17 0.00 -1.26 -4.84 105.19 105.14 2jo0 n GLY 78 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.22 0.08 -0.02 0.00 -1.26 -5.13 107.32 100.77 2jo0 s GLY 79 Ca 0.00 1.87 -0.31 0.00 0.00 0.00 0.00 44.72 46.28 2jo0 s GLY 79 CO 0.00 0.68 1.69 2.56 0.00 0.00 0.00 173.10 178.03 2jo0 s PRO 80 N -2.05 4.18 0.00 2.90 0.04 -1.26 -3.73 135.00 135.08 2jo0 s PRO 80 Ca 0.09 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2jo0 s PRO 80 Cb -0.01 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2jo0 s PRO 80 CO -0.05 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.65 2jo0 n GLY 81 N 4.04 0.26 0.00 0.56 0.00 -1.26 -4.85 105.19 103.94 2jo0 n GLY 81 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 0.00 -3.78 1.61 1.44 -1.24 -4.38 115.22 106.86 2jo0 n HIS 82 Ca 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 2jo0 n HIS 82 Cb 0.00 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 29.95 2jo0 n HIS 82 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2jo0 s LYS 83 N -2.00 0.01 0.00 -1.40 3.01 -1.26 -5.06 119.74 113.04 2jo0 s LYS 83 Ca 0.02 0.19 0.00 0.00 -1.01 0.00 0.00 55.97 55.17 2jo0 s LYS 83 Cb 0.01 -0.32 0.00 0.00 -1.01 0.00 0.00 37.83 36.51 2jo0 s LYS 83 CO 0.02 -0.18 0.20 0.00 0.51 0.00 0.00 175.35 175.89 2jo0 n ALA 84 N 4.30 1.57 -1.49 5.17 0.00 -1.26 -1.96 120.51 126.83 2jo0 n ALA 84 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2jo0 n ALA 84 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2jo0 n ALA 84 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jo0 n ARG 85 N 0.54 0.00 -1.55 0.00 3.00 -1.26 -5.13 116.66 112.26 2jo0 n ARG 85 Ca 0.00 -0.50 -0.31 0.00 -0.00 0.00 0.00 57.85 57.05 2jo0 n ARG 85 Cb 0.10 -0.37 0.07 0.00 0.00 0.00 0.00 32.46 32.25 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 0.00 3.70 0.00 5.15 0.11 -0.83 -5.24 120.40 123.29 2jo0 s VAL 86 Ca 0.00 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 2jo0 s VAL 86 Cb 0.00 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2jo0 s VAL 86 CO 0.00 -0.72 0.16 0.18 -3.33 0.00 0.00 175.10 171.39