#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 -0.27 1.22 7.83 0.15 -1.26 -5.17 113.70 116.21 2jo0 s SER 2 Ca 0.00 0.14 -0.19 0.00 0.70 0.00 0.00 55.95 56.61 2jo0 s SER 2 Cb 0.00 0.25 0.29 0.00 -1.71 0.00 0.00 66.02 64.85 2jo0 s SER 2 CO 0.00 -0.35 1.07 -2.16 1.20 0.00 0.00 173.24 173.00 2jo0 s PRO 3 N -2.00 -1.38 -0.35 5.44 0.04 -1.26 -5.01 135.00 130.49 2jo0 s PRO 3 Ca 0.04 0.08 0.09 0.00 0.04 0.00 0.00 61.00 61.26 2jo0 s PRO 3 Cb -0.01 -1.56 0.45 0.00 0.04 0.00 0.00 34.50 33.42 2jo0 s PRO 3 CO -0.04 -3.84 1.13 2.41 0.04 0.00 0.00 177.00 176.70 2jo0 n THR 4 N -4.88 2.20 -0.07 1.26 -1.04 -1.26 -5.08 114.28 105.41 2jo0 n THR 4 Ca 0.11 -4.25 0.00 0.00 -2.04 0.00 0.00 64.05 57.87 2jo0 n THR 4 Cb 0.59 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 2jo0 n THR 4 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jo0 n SER 5 N -0.55 -1.42 0.00 8.00 7.64 -1.26 -4.76 113.62 121.28 2jo0 n SER 5 Ca 0.35 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2jo0 n SER 5 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 2jo0 n SER 5 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2jo0 n ILE 6 N -2.46 0.00 0.00 0.44 -6.64 -1.26 -4.88 119.36 104.55 2jo0 n ILE 6 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2jo0 n ILE 6 Cb 0.00 0.08 0.00 0.00 -1.44 0.00 0.00 39.64 38.28 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 -0.39 0.00 -0.11 7.28 -0.00 -1.26 0.01 117.00 122.52 2jo0 n LEU 7 Ca 0.00 0.05 -0.16 0.00 -0.00 0.00 0.00 56.01 55.90 2jo0 n LEU 7 Cb 0.01 -0.05 -0.10 0.00 -0.00 0.00 0.00 43.42 43.28 2jo0 n LEU 7 CO 0.00 -0.05 -1.24 -0.90 -0.00 0.00 0.00 177.39 175.20 2jo0 n ASP 8 N -0.95 2.21 0.11 1.45 5.75 -1.26 -4.73 116.55 119.13 2jo0 n ASP 8 Ca 0.00 -0.09 0.13 0.00 -0.01 0.00 0.00 54.79 54.81 2jo0 n ASP 8 Cb 0.01 -0.38 0.44 0.00 -1.03 0.00 0.00 41.12 40.16 2jo0 n ASP 8 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2jo0 n ILE 9 N -3.22 0.64 -0.24 2.12 -5.35 0.10 -4.18 119.36 109.23 2jo0 n ILE 9 Ca -0.40 -0.13 0.17 0.00 -0.27 0.00 0.00 62.75 62.12 2jo0 n ILE 9 Cb 0.92 -0.75 0.48 0.00 -1.74 0.00 0.00 39.64 38.55 2jo0 n ILE 9 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 2jo0 h ARG 10 N 0.00 0.46 0.00 6.28 0.11 -1.82 -3.46 114.38 115.95 2jo0 h ARG 10 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2jo0 h ARG 10 Cb 0.62 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.60 2jo0 h ARG 10 CO 0.00 0.30 0.00 1.04 0.10 0.00 0.00 179.97 181.41 2jo0 n GLN 11 N -4.53 0.00 0.00 0.08 6.02 -1.26 -3.14 117.38 114.56 2jo0 n GLN 11 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2jo0 n GLN 11 Cb 0.63 -0.10 0.00 0.00 1.02 0.00 0.00 30.24 31.79 2jo0 n GLN 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jo0 n GLY 12 N 0.00 0.54 1.28 1.08 0.00 -1.26 -5.06 105.19 101.77 2jo0 n GLY 12 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.84 -0.27 1.61 -0.04 -1.19 -4.63 135.00 131.32 2jo0 n PRO 13 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2jo0 n PRO 13 Cb 0.00 -1.08 0.23 0.00 -0.04 0.00 0.00 33.50 32.61 2jo0 n PRO 13 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2jo0 h LYS 14 N 0.87 0.28 0.01 0.54 2.10 -1.91 -2.98 116.57 115.49 2jo0 h LYS 14 Ca 0.00 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.53 2jo0 h LYS 14 Cb 0.84 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.10 2jo0 h LYS 14 CO 0.00 0.19 -0.57 0.93 -2.00 0.00 0.00 179.45 178.00 2jo0 h GLU 15 N 0.29 0.02 -1.92 0.07 3.07 -1.83 -3.39 114.58 110.89 2jo0 h GLU 15 Ca 0.47 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 2jo0 h GLU 15 Cb 0.85 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2jo0 h GLU 15 CO -0.54 1.01 0.00 -0.35 -1.40 0.00 0.00 179.01 177.73 2jo0 n PRO 16 N -4.50 0.54 -0.17 2.33 -0.04 -1.13 -4.65 135.00 127.38 2jo0 n PRO 16 Ca -0.19 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.23 2jo0 n PRO 16 Cb 0.58 -1.23 0.03 0.00 -0.04 0.00 0.00 33.50 32.84 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 2.16 -0.58 -0.01 0.54 3.57 -1.75 0.31 116.94 121.17 2jo0 h PHE 17 Ca 0.00 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jo0 h PHE 17 Cb 0.54 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 2jo0 h PHE 17 CO 0.30 -0.31 0.00 0.07 -2.23 0.00 0.00 178.31 176.14 2jo0 h ARG 18 N -0.11 0.03 0.00 1.11 -0.00 -1.91 0.29 114.38 113.79 2jo0 h ARG 18 Ca 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.21 2jo0 h ARG 18 Cb 0.49 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.45 2jo0 h ARG 18 CO -0.60 0.31 0.00 -0.44 -0.00 0.00 0.00 179.97 179.25 2jo0 h ASP 19 N -0.26 0.00 0.00 0.08 3.32 -1.62 -2.80 116.42 115.14 2jo0 h ASP 19 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2jo0 h ASP 19 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2jo0 h ASP 19 CO 0.00 0.00 -1.20 -1.22 -1.72 0.00 0.00 179.24 175.10 2jo0 n TYR 20 N -2.64 0.00 -0.21 4.55 4.02 -0.02 -4.68 117.16 118.19 2jo0 n TYR 20 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.79 2jo0 n TYR 20 Cb 0.07 -0.14 0.02 0.00 -0.02 0.00 0.00 39.34 39.27 2jo0 n TYR 20 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 2jo0 h VAL 21 N 0.00 1.24 -0.32 -0.72 3.04 -0.15 0.40 116.25 119.75 2jo0 h VAL 21 Ca -0.08 -0.81 -0.00 0.00 -1.01 0.00 0.00 66.70 64.80 2jo0 h VAL 21 Cb 1.16 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 2jo0 h VAL 21 CO -0.00 0.30 0.20 0.44 -1.01 0.00 0.00 177.57 177.50 2jo0 h ASP 22 N 0.81 0.38 0.28 3.17 5.19 -1.77 -2.43 116.42 122.05 2jo0 h ASP 22 Ca 0.19 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.44 2jo0 h ASP 22 Cb 0.28 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 2jo0 h ASP 22 CO -0.01 0.30 -0.48 0.03 -3.12 0.00 0.00 179.24 175.97 2jo0 h ARG 23 N 0.42 0.23 0.34 3.56 2.47 -1.76 -2.88 114.38 116.76 2jo0 h ARG 23 Ca 0.11 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2jo0 h ARG 23 Cb -0.01 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2jo0 h ARG 23 CO -0.02 0.67 -0.16 0.35 0.56 0.00 0.00 179.97 181.36 2jo0 h PHE 24 N 0.19 -0.42 0.00 3.04 3.04 0.09 -3.30 116.94 119.58 2jo0 h PHE 24 Ca 0.01 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2jo0 h PHE 24 Cb 0.92 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.57 2jo0 h PHE 24 CO 0.02 -0.26 0.00 1.88 -2.02 0.00 0.00 178.31 177.92 2jo0 h TYR 25 N -0.57 0.00 -0.77 0.41 0.05 -1.55 -1.50 116.97 113.04 2jo0 h TYR 25 Ca -0.05 0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.90 2jo0 h TYR 25 Cb 0.35 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.95 2jo0 h TYR 25 CO 0.09 0.00 -0.06 -0.22 -1.05 0.00 0.00 178.16 176.92 2jo0 h LYS 26 N 0.00 0.06 0.00 4.88 3.11 -1.58 -2.80 116.57 120.24 2jo0 h LYS 26 Ca 0.00 -0.00 -0.39 0.00 -2.81 0.00 0.00 60.65 57.45 2jo0 h LYS 26 Cb 0.46 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.61 2jo0 h LYS 26 CO 0.00 0.04 -2.34 0.25 -2.81 0.00 0.00 179.45 174.59 2jo0 n THR 27 N -5.41 1.33 -0.31 1.00 -2.24 -1.01 -4.63 114.28 103.01 2jo0 n THR 27 Ca 0.13 -0.39 0.15 0.00 -2.27 0.00 0.00 64.05 61.67 2jo0 n THR 27 Cb 0.46 -1.66 0.33 0.00 -2.10 0.00 0.00 70.33 67.37 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 -0.58 0.27 -1.00 3.22 7.12 -1.37 -0.55 115.31 122.42 2jo0 h LEU 28 Ca -0.58 0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.60 2jo0 h LEU 28 Cb 1.63 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.93 2jo0 h LEU 28 CO -0.28 -0.07 0.16 -2.11 -0.13 0.00 0.00 178.44 176.01 2jo0 n ARG 29 N -5.10 0.10 0.00 1.25 1.85 -1.05 -0.98 116.66 112.73 2jo0 n ARG 29 Ca 0.24 0.58 0.12 0.00 -1.00 0.00 0.00 57.85 57.78 2jo0 n ARG 29 Cb 0.73 -1.99 0.09 0.00 -1.05 0.00 0.00 32.46 30.24 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jo0 n ALA 30 N -1.63 3.07 0.00 2.89 0.00 -0.21 -3.48 120.51 121.15 2jo0 n ALA 30 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2jo0 n ALA 30 Cb 0.18 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.45 0.00 -0.03 0.00 1.02 -0.15 -4.85 120.64 117.07 2jo0 n GLU 31 Ca 0.12 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.19 2jo0 n GLU 31 Cb 0.50 -0.42 -0.14 0.00 -0.02 0.00 0.00 31.44 31.37 2jo0 n GLU 31 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jo0 n GLN 32 N -2.79 0.65 0.00 3.49 1.13 -0.44 -4.99 117.38 114.43 2jo0 n GLN 32 Ca 0.00 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2jo0 n GLN 32 Cb 0.36 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 29.00 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 -2.57 0.00 -0.37 -1.58 0.00 -1.18 -4.85 120.51 109.96 2jo0 n ALA 33 Ca -0.20 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.55 2jo0 n ALA 33 Cb 1.03 0.00 0.57 0.00 0.00 0.00 0.00 19.45 21.04 2jo0 n ALA 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jo0 h SER 34 N 0.00 0.37 -6.12 0.00 0.87 -1.91 -3.46 113.55 103.30 2jo0 h SER 34 Ca 0.00 0.18 -0.33 0.00 -1.23 0.00 0.00 61.79 60.42 2jo0 h SER 34 Cb 0.00 0.16 -0.20 0.00 -0.44 0.00 0.00 62.40 61.92 2jo0 h SER 34 CO 0.00 -0.21 -0.47 1.67 -0.53 0.00 0.00 176.83 177.29 2jo0 n GLN 35 N -4.95 -1.86 -1.69 2.24 7.27 -1.26 -4.93 117.38 112.20 2jo0 n GLN 35 Ca 0.35 0.08 -0.44 0.00 0.07 0.00 0.00 57.00 57.06 2jo0 n GLN 35 Cb 1.21 -4.63 -0.04 0.00 2.41 0.00 0.00 30.24 29.19 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 -3.32 2.40 -0.27 3.69 2.13 -1.26 -4.94 120.64 119.08 2jo0 n GLU 36 Ca 0.06 0.86 -0.01 0.00 0.66 0.00 0.00 57.16 58.73 2jo0 n GLU 36 Cb 0.48 -2.66 0.11 0.00 0.27 0.00 0.00 31.44 29.64 2jo0 n GLU 36 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2jo0 h VAL 37 N 3.65 1.03 -0.01 6.31 2.07 -2.02 -1.79 116.25 125.49 2jo0 h VAL 37 Ca -0.44 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2jo0 h VAL 37 Cb 1.23 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2jo0 h VAL 37 CO 0.91 0.15 -0.06 2.29 0.02 0.00 0.00 177.57 180.88 2jo0 n LYS 38 N -4.69 1.09 0.00 1.57 2.85 -1.26 -4.76 118.16 112.95 2jo0 n LYS 38 Ca 0.10 -0.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.93 2jo0 n LYS 38 Cb 0.15 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 2jo0 n LYS 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2jo0 n ASN 39 N -0.58 0.00 -4.51 -5.58 6.94 -0.67 -4.84 115.26 106.02 2jo0 n ASN 39 Ca 0.18 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.61 2jo0 n ASN 39 Cb 0.27 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.59 2jo0 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jo0 n ALA 40 N 0.00 0.28 -1.57 -2.53 0.00 -1.26 -3.98 120.51 111.45 2jo0 n ALA 40 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.58 2jo0 n ALA 40 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.44 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 7.83 0.00 -3.15 0.00 0.00 -1.26 -5.16 117.12 115.38 2jo0 n MET 41 Ca 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 58.00 2jo0 n MET 41 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.65 2jo0 n MET 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2jo0 n THR 42 N 0.00 0.00 0.19 3.17 -2.24 -1.26 -5.02 114.28 109.12 2jo0 n THR 42 Ca 0.00 -1.16 0.02 0.00 -2.27 0.00 0.00 64.05 60.64 2jo0 n THR 42 Cb 0.32 0.72 0.11 0.00 -2.10 0.00 0.00 70.33 69.38 2jo0 n THR 42 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2jo0 n GLU 43 N -0.38 0.05 -1.69 -0.78 0.00 -1.26 -4.89 120.64 111.69 2jo0 n GLU 43 Ca 0.00 0.28 -0.44 0.00 0.00 0.00 0.00 57.16 57.01 2jo0 n GLU 43 Cb 0.39 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.31 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 -1.33 1.26 -0.51 3.84 5.66 -1.26 -4.98 114.28 116.96 2jo0 n THR 44 Ca 0.02 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2jo0 n THR 44 Cb 0.04 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 67.26 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 1.76 0.95 0.00 1.09 4.32 -1.26 -4.88 117.00 118.99 2jo0 n LEU 45 Ca 0.09 -0.95 -0.01 0.00 -0.02 0.00 0.00 56.01 55.12 2jo0 n LEU 45 Cb 0.33 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.15 2jo0 n LEU 45 CO 0.63 0.24 0.86 0.00 -1.22 0.00 0.00 177.39 177.90 2jo0 n LEU 46 N -0.23 0.00 -4.01 2.23 -0.00 -1.26 -4.87 117.00 108.86 2jo0 n LEU 46 Ca 0.00 -1.16 -0.19 0.00 -0.00 0.00 0.00 56.01 54.67 2jo0 n LEU 46 Cb 0.36 2.49 -0.15 0.00 -0.00 0.00 0.00 43.42 46.13 2jo0 n LEU 46 CO 0.00 -0.39 -0.43 -0.69 -0.00 0.00 0.00 177.39 175.88 2jo0 s VAL 47 N -2.06 0.70 0.24 1.47 1.01 -1.26 -5.00 120.40 115.49 2jo0 s VAL 47 Ca 0.24 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 2jo0 s VAL 47 Cb -0.02 -0.59 -0.15 0.00 0.00 0.00 0.00 36.38 35.62 2jo0 s VAL 47 CO 0.04 0.20 1.14 0.00 0.00 0.00 0.00 175.10 176.48 2jo0 n GLN 48 N 2.95 1.40 -2.38 2.72 6.02 -1.26 -1.94 117.38 124.90 2jo0 n GLN 48 Ca -0.14 0.49 -0.12 0.00 -0.01 0.00 0.00 57.00 57.22 2jo0 n GLN 48 Cb 0.56 -1.96 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 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 1.67 -3.87 -4.64 1.08 5.15 -1.26 -4.94 115.26 108.45 2jo0 n ASN 49 Ca 0.12 0.20 -0.45 0.00 -0.60 0.00 0.00 54.58 53.85 2jo0 n ASN 49 Cb 0.29 -3.31 -0.03 0.00 -0.53 0.00 0.00 39.78 36.21 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 -2.06 0.53 -2.21 5.20 0.00 -0.82 -5.00 120.51 116.15 2jo0 n ALA 50 Ca -0.15 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.50 2jo0 n ALA 50 Cb 0.60 -2.18 0.02 0.00 0.00 0.00 0.00 19.45 17.88 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 0.05 5.66 0.42 0.00 4.22 -1.26 -4.97 114.94 119.07 2jo0 s ASN 51 Ca 0.67 0.09 0.08 0.00 -2.14 0.00 0.00 52.86 51.56 2jo0 s ASN 51 Cb -0.69 -1.23 0.91 0.00 1.28 0.00 0.00 41.25 41.51 2jo0 s ASN 51 CO 0.53 -0.81 2.06 1.55 -2.04 0.00 0.00 177.10 178.39 2jo0 h PRO 52 N 0.37 0.49 0.12 3.55 0.13 -1.96 -3.18 132.00 131.52 2jo0 h PRO 52 Ca -0.44 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2jo0 h PRO 52 Cb 1.27 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jo0 h PRO 52 CO 0.54 0.32 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.14 2jo0 h ASP 53 N 0.50 -0.13 0.27 1.44 3.32 -1.93 -0.36 116.42 119.52 2jo0 h ASP 53 Ca 0.15 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 56.81 2jo0 h ASP 53 Cb 0.01 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2jo0 h ASP 53 CO -0.04 0.37 -0.40 0.00 -1.72 0.00 0.00 179.24 177.46 2jo0 n LYS 55 N -5.48 -0.40 0.22 0.00 5.02 -1.20 -1.33 118.16 114.98 2jo0 n LYS 55 Ca -0.09 1.45 0.15 0.00 -2.02 0.00 0.00 58.31 57.80 2jo0 n LYS 55 Cb 0.39 -2.13 0.66 0.00 -0.02 0.00 0.00 35.03 33.92 2jo0 n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jo0 h THR 56 N 0.00 0.00 0.00 -0.18 1.03 -0.56 -2.07 112.91 111.14 2jo0 h THR 56 Ca 0.15 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 2jo0 h THR 56 Cb 0.38 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.59 2jo0 h THR 56 CO -0.86 0.00 -0.12 0.40 -0.01 0.00 0.00 175.52 174.92 2jo0 h ILE 57 N 0.00 0.00 -0.00 0.00 2.04 0.22 -3.37 117.51 116.40 2jo0 h ILE 57 Ca 0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2jo0 h ILE 57 Cb 0.34 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 2jo0 h ILE 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.08 2jo0 h LEU 58 N -0.73 0.00 -1.29 1.44 4.07 -1.23 -0.03 115.31 117.53 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 0.12 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 2jo0 h LEU 58 CO 0.00 0.00 0.84 0.11 -1.08 0.00 0.00 178.44 178.31 2jo0 h LYS 59 N 0.00 0.00 0.00 1.13 1.79 -1.52 -0.09 116.57 117.88 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 -2.11 1.37 -2.61 3.86 0.00 -0.10 -4.82 120.51 116.10 2jo0 n ALA 60 Ca 0.12 -0.63 0.02 0.00 0.00 0.00 0.00 53.44 52.94 2jo0 n ALA 60 Cb 1.03 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.51 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 -0.18 1.03 -3.33 0.00 0.00 -0.13 -4.97 117.00 109.43 2jo0 n LEU 61 Ca 0.00 -2.43 -0.33 0.00 0.00 0.00 0.00 56.01 53.24 2jo0 n LEU 61 Cb 0.36 0.19 -0.02 0.00 0.00 0.00 0.00 43.42 43.94 2jo0 n LEU 61 CO 0.00 0.80 0.69 0.61 0.00 0.00 0.00 177.39 179.49 2jo0 n GLY 62 N -0.02 5.70 1.38 -3.96 0.00 -0.71 -4.63 105.19 102.96 2jo0 n GLY 62 Ca 0.04 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.36 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 0.05 0.75 -0.93 1.61 -0.04 -1.26 -4.79 135.00 130.39 2jo0 n PRO 63 Ca 0.36 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.79 2jo0 n PRO 63 Cb 0.34 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 1.23 -0.05 0.10 0.55 0.00 -1.26 -4.47 120.51 116.61 2jo0 n ALA 64 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2jo0 n ALA 64 Cb 0.37 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.80 3.00 0.24 0.00 0.00 -1.26 -4.83 120.51 118.45 2jo0 n ALA 65 Ca -0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.56 2jo0 n ALA 65 Cb 0.42 0.01 0.84 0.00 0.00 0.00 0.00 19.45 20.72 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 -0.62 0.00 2.02 -1.93 -2.55 112.91 109.82 2jo0 h THR 66 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2jo0 h THR 66 Cb 0.01 0.68 -0.08 0.00 -1.74 0.00 0.00 68.15 67.02 2jo0 h THR 66 CO 0.00 0.00 0.20 0.25 0.37 0.00 0.00 175.52 176.34 2jo0 h LEU 67 N 0.00 0.16 -1.50 2.58 6.46 -1.88 -2.78 115.31 118.35 2jo0 h LEU 67 Ca 0.00 0.09 0.39 0.00 -0.12 0.00 0.00 57.88 58.24 2jo0 h LEU 67 Cb 0.02 0.09 -0.11 0.00 -0.73 0.00 0.00 40.66 39.94 2jo0 h LEU 67 CO 0.00 0.09 0.84 -0.33 -0.62 0.00 0.00 178.44 178.42 2jo0 h GLU 68 N 0.36 0.15 0.15 1.25 5.08 -1.82 0.44 114.58 120.19 2jo0 h GLU 68 Ca 0.32 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.40 2jo0 h GLU 68 Cb 0.44 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2jo0 h GLU 68 CO -0.35 0.10 -1.30 1.05 -1.00 0.00 0.00 179.01 177.51 2jo0 h GLU 69 N 0.16 0.31 0.00 2.33 4.11 -1.73 -3.39 114.58 116.36 2jo0 h GLU 69 Ca 0.74 -0.53 -0.02 0.00 0.07 0.00 0.00 59.36 59.61 2jo0 h GLU 69 Cb 2.32 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.77 2jo0 h GLU 69 CO -0.31 1.26 -0.11 0.52 0.07 0.00 0.00 179.01 180.43 2jo0 h MET 70 N -0.22 0.00 -0.84 1.06 2.86 0.01 -0.75 114.93 117.05 2jo0 h MET 70 Ca -0.26 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.59 2jo0 h MET 70 Cb 1.82 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 33.32 2jo0 h MET 70 CO 0.12 0.11 -0.06 -0.12 1.06 0.00 0.00 176.91 178.03 2jo0 n MET 71 N -4.18 -0.07 -0.02 1.72 0.00 -0.04 -2.99 117.12 111.53 2jo0 n MET 71 Ca -0.03 1.28 -0.03 0.00 0.00 0.00 0.00 57.70 58.93 2jo0 n MET 71 Cb 0.19 -1.99 -0.03 0.00 0.00 0.00 0.00 33.22 31.40 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 -5.27 0.28 0.19 1.12 -1.04 -1.11 -4.27 114.28 104.18 2jo0 n THR 72 Ca 0.18 -0.13 0.13 0.00 -2.04 0.00 0.00 64.05 62.19 2jo0 n THR 72 Cb 0.57 -0.75 0.69 0.00 -1.82 0.00 0.00 70.33 69.02 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 0.06 2.09 -0.01 2.41 0.00 -1.06 -2.11 119.26 120.64 2jo0 h ALA 73 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jo0 h ALA 73 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jo0 h ALA 73 CO -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.04 2jo0 s GLN 75 N -1.99 3.31 -0.13 0.00 -0.21 -0.80 -3.40 119.66 116.45 2jo0 s GLN 75 Ca 0.30 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.36 2jo0 s GLN 75 Cb 0.14 -3.98 0.00 0.00 1.00 0.00 0.00 33.01 30.17 2jo0 s GLN 75 CO 0.23 -1.13 0.00 0.41 -2.12 0.00 0.00 175.29 172.68 2jo0 n GLY 76 N 5.04 0.29 0.00 3.09 0.00 -1.26 -4.89 105.19 107.46 2jo0 n GLY 76 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.38 0.00 -0.42 1.61 3.14 -1.25 -2.02 118.33 117.03 2jo0 n VAL 77 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2jo0 n VAL 77 Cb 0.33 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 32.13 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 -0.67 0.71 0.00 7.55 0.00 -1.26 -5.10 105.19 106.43 2jo0 n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.25 3.74 -0.02 0.00 -0.85 -5.06 105.19 105.25 2jo0 n GLY 79 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 1.19 0.00 1.61 0.04 -1.26 -4.99 135.00 131.59 2jo0 s PRO 80 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2jo0 s PRO 80 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2jo0 s PRO 80 CO 0.00 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.22 2jo0 n GLY 81 N -1.51 1.03 3.70 0.56 0.00 -1.26 -4.91 105.19 102.81 2jo0 n GLY 81 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -1.50 1.61 1.44 -1.26 -4.92 115.22 110.58 2jo0 n HIS 82 Ca 0.00 0.00 -0.55 0.00 -2.01 0.00 0.00 57.72 55.16 2jo0 n HIS 82 Cb 0.00 -0.85 -0.08 0.00 0.12 0.00 0.00 29.99 29.18 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 -0.87 0.94 0.00 -1.40 0.00 -1.26 -4.93 118.16 110.63 2jo0 n LYS 83 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 58.31 58.60 2jo0 n LYS 83 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 32.84 2jo0 n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jo0 n ALA 84 N 7.94 0.00 -2.43 3.14 0.00 -1.26 -5.07 120.51 122.83 2jo0 n ALA 84 Ca 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 2jo0 n ALA 84 Cb 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 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 3.77 0.88 0.00 0.00 3.52 -1.26 -5.17 118.95 120.70 2jo0 s ARG 85 Ca 0.00 -1.22 0.00 0.00 -0.13 0.00 0.00 55.73 54.38 2jo0 s ARG 85 Cb 0.00 -0.54 0.00 0.00 -1.56 0.00 0.00 34.95 32.85 2jo0 s ARG 85 CO 0.00 0.08 0.00 1.33 -0.81 0.00 0.00 175.30 175.90 2jo0 n VAL 86 N 0.41 0.00 0.72 7.11 0.24 -1.26 -5.32 118.33 120.23 2jo0 n VAL 86 Ca -0.15 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.21 2jo0 n VAL 86 Cb 0.58 0.00 0.34 0.00 -1.47 0.00 0.00 33.84 33.30 2jo0 n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69