#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dyr s SER 2 N 0.00 0.06 0.00 0.00 1.04 -1.26 -5.18 113.70 108.37 2dyr s SER 2 Ca 0.00 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.34 2dyr s SER 2 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2dyr s SER 2 CO 0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2dyr n GLY 3 N -0.27 0.64 0.00 7.32 0.00 -1.26 -5.19 105.19 106.43 2dyr n GLY 3 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2dyr n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dyr n GLY 4 N 0.00 4.88 0.54 -0.02 0.00 -1.26 -4.99 105.19 104.33 2dyr n GLY 4 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2dyr n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dyr n GLY 5 N 4.12 0.57 3.54 -0.02 0.00 -1.26 -5.06 105.19 107.08 2dyr n GLY 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2dyr n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dyr s VAL 6 N -2.29 4.85 0.76 1.61 1.01 -1.26 -5.09 120.40 120.00 2dyr s VAL 6 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 2dyr s VAL 6 Cb 0.00 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.16 2dyr s VAL 6 CO 0.00 0.32 1.20 -2.16 0.00 0.00 0.00 175.10 174.46 2dyr s PRO 7 N 1.50 1.96 0.36 2.72 0.04 -1.26 -5.04 135.00 135.28 2dyr s PRO 7 Ca 0.06 1.74 0.07 0.00 0.04 0.00 0.00 61.00 62.91 2dyr s PRO 7 Cb -0.15 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2dyr s PRO 7 CO 0.06 -1.97 0.42 0.95 0.04 0.00 0.00 177.00 176.51 2dyr s THR 8 N -2.08 3.49 0.27 1.26 -4.23 -1.26 -4.97 115.64 108.13 2dyr s THR 8 Ca 0.73 -1.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.06 2dyr s THR 8 Cb -0.28 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.51 2dyr s THR 8 CO 0.47 -0.11 1.82 0.44 -0.54 0.00 0.00 174.62 176.70 2dyr h ASP 9 N 0.98 0.81 -0.46 3.99 3.32 -1.96 0.21 116.42 123.31 2dyr h ASP 9 Ca -0.44 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 2dyr h ASP 9 Cb 1.26 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2dyr h ASP 9 CO 0.54 0.79 0.26 -0.08 -1.72 0.00 0.00 179.24 179.03 2dyr h GLU 10 N 0.84 0.65 0.03 3.56 4.57 -1.95 0.41 114.58 122.70 2dyr h GLU 10 Ca 0.18 -0.06 -0.29 0.00 -1.18 0.00 0.00 59.36 58.02 2dyr h GLU 10 Cb 0.29 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2dyr h GLU 10 CO -0.00 0.48 -1.57 0.93 -1.18 0.00 0.00 179.01 177.67 2dyr h GLU 11 N 0.66 0.07 0.00 1.92 5.08 -1.83 -3.42 114.58 117.07 2dyr h GLU 11 Ca 0.17 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2dyr h GLU 11 Cb 0.02 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2dyr h GLU 11 CO -0.03 0.77 -0.59 0.94 -1.00 0.00 0.00 179.01 179.11 2dyr n GLN 12 N -3.22 3.34 -1.76 2.33 7.27 0.01 -4.98 117.38 120.38 2dyr n GLN 12 Ca -0.15 -0.01 -0.40 0.00 0.07 0.00 0.00 57.00 56.51 2dyr n GLN 12 Cb 1.03 -0.83 0.03 0.00 2.41 0.00 0.00 30.24 32.88 2dyr n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dyr n ALA 13 N -1.31 1.90 -4.22 1.69 0.00 0.14 -5.00 120.51 113.72 2dyr n ALA 13 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.43 2dyr n ALA 13 Cb 0.05 -2.38 -0.07 0.00 0.00 0.00 0.00 19.45 17.05 2dyr n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dyr n THR 14 N -0.43 0.00 -2.15 0.00 5.66 -1.26 -4.68 114.28 111.42 2dyr n THR 14 Ca 0.07 -2.30 0.00 0.00 -3.05 0.00 0.00 64.05 58.76 2dyr n THR 14 Cb 0.42 1.12 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 2dyr n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dyr n GLY 15 N -0.61 1.83 0.29 1.09 0.00 -1.26 -1.38 105.19 105.15 2dyr n GLY 15 Ca 0.06 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.73 2dyr n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dyr h LEU 16 N 0.00 0.51 -0.55 0.99 5.85 -1.99 -2.35 115.31 117.77 2dyr h LEU 16 Ca 0.00 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2dyr h LEU 16 Cb 0.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2dyr h LEU 16 CO 0.00 0.50 0.33 -0.08 -0.34 0.00 0.00 178.44 178.85 2dyr h GLU 17 N 0.55 0.62 -0.47 1.25 4.81 -1.88 -1.00 114.58 118.47 2dyr h GLU 17 Ca 0.13 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2dyr h GLU 17 Cb 0.19 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2dyr h GLU 17 CO -0.01 0.41 0.11 -0.09 -0.73 0.00 0.00 179.01 178.70 2dyr h ARG 18 N 0.64 0.75 -0.43 1.92 2.43 -0.71 -2.13 114.38 116.85 2dyr h ARG 18 Ca 0.22 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2dyr h ARG 18 Cb 0.04 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2dyr h ARG 18 CO -0.11 0.75 0.23 0.93 -1.51 0.00 0.00 179.97 180.26 2dyr h GLU 19 N 0.63 0.46 -0.64 0.20 5.08 -1.04 0.13 114.58 119.40 2dyr h GLU 19 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2dyr h GLU 19 Cb 0.33 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2dyr h GLU 19 CO 0.00 0.30 0.40 0.28 -1.00 0.00 0.00 179.01 178.99 2dyr h VAL 20 N 0.47 1.18 -0.04 3.13 2.07 -1.12 -0.62 116.25 121.32 2dyr h VAL 20 Ca 0.18 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2dyr h VAL 20 Cb 0.05 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2dyr h VAL 20 CO -0.10 0.18 0.02 -0.03 0.02 0.00 0.00 177.57 177.66 2dyr h MET 21 N 0.86 0.05 -0.42 1.57 1.85 -0.72 -0.54 114.93 117.59 2dyr h MET 21 Ca 0.23 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.26 2dyr h MET 21 Cb -0.05 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 31.95 2dyr h MET 21 CO -0.05 0.09 0.04 -0.07 -0.40 0.00 0.00 176.91 176.53 2dyr h LEU 22 N -0.00 0.69 -0.46 3.39 3.38 -0.61 -2.45 115.31 119.25 2dyr h LEU 22 Ca 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2dyr h LEU 22 Cb 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2dyr h LEU 22 CO -0.00 0.79 0.24 0.00 0.09 0.00 0.00 178.44 179.57 2dyr h ALA 23 N 0.92 0.59 -0.87 1.53 0.00 -1.03 -2.39 119.26 118.01 2dyr h ALA 23 Ca 0.12 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2dyr h ALA 23 Cb 0.42 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2dyr h ALA 23 CO 0.01 0.12 0.57 0.00 0.00 0.00 0.00 179.25 179.95 2dyr h ALA 24 N 1.09 1.53 -0.48 0.00 0.00 -1.02 0.71 119.26 121.09 2dyr h ALA 24 Ca 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2dyr h ALA 24 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2dyr h ALA 24 CO -0.02 0.35 0.17 -0.09 0.00 0.00 0.00 179.25 179.66 2dyr h ARG 25 N 1.00 0.70 -0.07 0.00 2.43 -0.95 -1.22 114.38 116.27 2dyr h ARG 25 Ca 0.37 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2dyr h ARG 25 Cb 0.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2dyr h ARG 25 CO -0.13 0.60 0.00 1.63 -1.51 0.00 0.00 179.97 180.56 2dyr n LYS 26 N -4.34 1.47 -1.43 0.20 5.02 -0.48 -4.91 118.16 113.70 2dyr n LYS 26 Ca 0.04 -0.70 -0.06 0.00 -2.02 0.00 0.00 58.31 55.56 2dyr n LYS 26 Cb 0.17 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 2dyr n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dyr n GLY 27 N 1.06 0.67 3.83 0.72 0.00 -0.46 -5.03 105.19 105.98 2dyr n GLY 27 Ca 0.18 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 2dyr n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dyr s GLN 28 N -3.01 2.95 -0.45 1.61 -0.21 0.12 -4.99 119.66 115.70 2dyr s GLN 28 Ca 0.00 -1.01 0.09 0.00 0.02 0.00 0.00 55.36 54.46 2dyr s GLN 28 Cb 0.00 -2.60 0.31 0.00 1.00 0.00 0.00 33.01 31.72 2dyr s GLN 28 CO 0.00 0.42 0.71 -3.47 -2.12 0.00 0.00 175.29 170.83 2dyr n ASP 29 N -1.06 1.67 0.26 5.90 2.03 -1.26 -3.59 116.55 120.50 2dyr n ASP 29 Ca -0.08 -3.10 0.12 0.00 0.52 0.00 0.00 54.79 52.25 2dyr n ASP 29 Cb 0.57 -0.62 0.69 0.00 -0.72 0.00 0.00 41.12 41.05 2dyr n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dyr h PRO 30 N 3.42 0.00 -0.60 -0.67 0.13 -1.97 -2.95 132.00 129.37 2dyr h PRO 30 Ca 0.11 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.11 2dyr h PRO 30 Cb 0.82 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.87 2dyr h PRO 30 CO 0.59 0.13 0.15 0.66 -0.23 0.00 0.00 178.00 179.29 2dyr n TYR 31 N -3.72 2.03 -4.04 1.56 4.02 -1.26 -4.98 117.16 110.77 2dyr n TYR 31 Ca -0.02 -1.08 -0.28 0.00 -0.01 0.00 0.00 57.90 56.51 2dyr n TYR 31 Cb 0.24 -0.58 -0.03 0.00 -0.02 0.00 0.00 39.34 38.96 2dyr n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2dyr n ASN 32 N -0.13 -0.93 0.11 7.72 3.02 -1.12 -4.88 115.26 119.04 2dyr n ASN 32 Ca 0.34 -1.03 -0.00 0.00 -0.03 0.00 0.00 54.58 53.87 2dyr n ASN 32 Cb 1.24 -2.89 -0.02 0.00 -0.61 0.00 0.00 39.78 37.50 2dyr n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2dyr h ILE 33 N -1.77 1.04 -2.81 2.41 2.04 -1.94 -3.46 117.51 113.03 2dyr h ILE 33 Ca -0.62 -2.51 -0.59 0.00 1.00 0.00 0.00 64.86 62.14 2dyr h ILE 33 Cb 1.38 2.50 -0.09 0.00 -0.74 0.00 0.00 36.82 39.87 2dyr h ILE 33 CO 0.67 0.59 -0.61 -0.76 0.00 0.00 0.00 178.15 178.04 2dyr s LEU 34 N -6.46 3.60 -0.13 1.44 1.43 -1.26 -5.09 118.68 112.21 2dyr s LEU 34 Ca 0.03 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 2dyr s LEU 34 Cb 0.08 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 2dyr s LEU 34 CO 0.77 0.09 0.76 0.00 0.23 0.00 0.00 176.35 178.20 2dyr s ALA 35 N -1.71 3.44 0.41 4.21 0.00 -1.26 -5.02 121.76 121.83 2dyr s ALA 35 Ca 0.29 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.04 2dyr s ALA 35 Cb -0.10 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 2dyr s ALA 35 CO 0.21 -0.43 1.25 -1.25 0.00 0.00 0.00 175.76 175.54 2dyr s PRO 36 N 1.59 3.94 0.03 0.00 0.04 -1.26 -5.01 135.00 134.34 2dyr s PRO 36 Ca 0.37 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.20 2dyr s PRO 36 Cb -0.17 -2.68 -0.06 0.00 0.04 0.00 0.00 34.50 31.64 2dyr s PRO 36 CO 0.15 -0.47 0.70 0.21 0.04 0.00 0.00 177.00 177.63 2dyr s LYS 37 N -2.32 4.43 0.46 4.56 2.47 -1.26 -5.05 119.74 123.03 2dyr s LYS 37 Ca 0.58 0.94 -0.22 0.00 -1.56 0.00 0.00 55.97 55.72 2dyr s LYS 37 Cb -0.35 -3.35 -0.08 0.00 -1.46 0.00 0.00 37.83 32.59 2dyr s LYS 37 CO 0.44 0.33 1.06 0.00 0.16 0.00 0.00 175.35 177.34 2dyr s ALA 38 N -0.16 2.94 0.55 3.13 0.00 -1.26 -5.00 121.76 121.95 2dyr s ALA 38 Ca 0.36 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2dyr s ALA 38 Cb -0.20 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2dyr s ALA 38 CO 0.21 -0.36 0.00 0.25 0.00 0.00 0.00 175.76 175.86 2dyr n THR 39 N -0.66 0.00 0.54 0.00 -2.24 -1.26 -4.94 114.28 105.72 2dyr n THR 39 Ca 0.08 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 2dyr n THR 39 Cb 0.51 -1.55 0.45 0.00 -2.10 0.00 0.00 70.33 67.64 2dyr n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dyr n SER 40 N -1.15 0.67 -0.92 3.42 3.41 -1.26 -4.91 113.62 112.89 2dyr n SER 40 Ca 0.00 0.61 -0.12 0.00 -0.26 0.00 0.00 58.87 59.10 2dyr n SER 40 Cb 0.00 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.13 2dyr n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dyr n GLY 41 N 0.69 1.30 3.93 5.00 0.00 -0.76 -4.94 105.19 110.40 2dyr n GLY 41 Ca 0.04 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 2dyr n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dyr s THR 42 N -2.41 2.08 0.30 2.61 -4.23 -1.12 -0.61 115.64 112.27 2dyr s THR 42 Ca 0.00 -0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2dyr s THR 42 Cb 0.00 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 71.16 2dyr s THR 42 CO 0.00 0.00 1.90 0.50 -0.54 0.00 0.00 174.62 176.48 2dyr h LYS 43 N -1.09 0.98 0.00 3.99 3.64 -1.96 -1.91 116.57 120.22 2dyr h LYS 43 Ca -0.44 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 58.68 2dyr h LYS 43 Cb 1.29 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2dyr h LYS 43 CO 0.53 0.65 -1.03 0.93 -2.27 0.00 0.00 179.45 178.26 2dyr h GLU 44 N 1.01 0.00 -2.18 1.90 3.07 -2.02 -3.38 114.58 112.98 2dyr h GLU 44 Ca 0.41 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.70 2dyr h GLU 44 Cb 0.28 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.78 2dyr h GLU 44 CO -0.17 0.75 -0.79 -3.47 -1.40 0.00 0.00 179.01 173.93 2dyr n ASP 45 N -3.23 3.13 -4.77 1.42 4.64 -0.88 -5.11 116.55 111.75 2dyr n ASP 45 Ca -0.03 -3.39 -0.33 0.00 -1.38 0.00 0.00 54.79 49.67 2dyr n ASP 45 Cb 0.90 -0.61 0.05 0.00 -1.04 0.00 0.00 41.12 40.42 2dyr n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2dyr s PRO 46 N -2.77 2.76 0.02 -0.67 0.04 -0.77 -1.83 135.00 131.78 2dyr s PRO 46 Ca 0.43 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 2dyr s PRO 46 Cb 0.25 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 2dyr s PRO 46 CO -0.09 -1.27 1.30 -0.80 0.04 0.00 0.00 177.00 176.17 2dyr s ASN 47 N -2.73 6.95 -0.33 6.66 0.01 -0.20 -4.80 114.94 120.50 2dyr s ASN 47 Ca 0.66 2.05 -0.21 0.00 -0.71 0.00 0.00 52.86 54.65 2dyr s ASN 47 Cb -0.20 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 38.89 2dyr s ASN 47 CO 0.43 -0.61 0.67 -0.76 -1.51 0.00 0.00 177.10 175.32 2dyr s LEU 48 N 1.79 4.18 -0.44 0.60 1.02 -1.26 -0.86 118.68 123.72 2dyr s LEU 48 Ca 0.61 0.32 -0.13 0.00 0.02 0.00 0.00 54.13 54.94 2dyr s LEU 48 Cb -0.30 -2.86 0.06 0.00 0.02 0.00 0.00 46.19 43.11 2dyr s LEU 48 CO 0.27 -0.57 0.33 -0.69 0.02 0.00 0.00 176.35 175.70 2dyr s VAL 49 N 2.75 4.93 0.53 -1.59 1.01 0.09 -4.95 120.40 123.16 2dyr s VAL 49 Ca 0.26 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2dyr s VAL 49 Cb -0.14 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2dyr s VAL 49 CO 0.14 -0.47 1.18 -2.84 0.00 0.00 0.00 175.10 173.10 2dyr s PRO 50 N 1.59 3.39 -0.10 2.72 0.02 -1.26 -0.91 135.00 140.43 2dyr s PRO 50 Ca 0.04 1.77 -0.26 0.00 0.02 0.00 0.00 61.00 62.57 2dyr s PRO 50 Cb -0.22 -2.14 0.06 0.00 0.02 0.00 0.00 34.50 32.21 2dyr s PRO 50 CO 0.06 -0.86 0.61 0.45 -0.33 0.00 0.00 177.00 176.93 2dyr s SER 51 N -1.52 -0.59 -0.03 2.53 0.15 -1.14 -4.86 113.70 108.24 2dyr s SER 51 Ca 0.71 0.80 0.16 0.00 0.70 0.00 0.00 55.95 58.31 2dyr s SER 51 Cb -0.28 0.75 0.51 0.00 -1.71 0.00 0.00 66.02 65.29 2dyr s SER 51 CO 0.33 -0.46 1.41 2.30 1.20 0.00 0.00 173.24 178.02 2dyr n ILE 52 N 1.55 0.98 -2.68 6.45 -5.35 -1.26 0.27 119.36 119.32 2dyr n ILE 52 Ca -0.18 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 2dyr n ILE 52 Cb 0.56 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 2dyr n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2dyr n THR 53 N 1.01 0.00 0.16 7.28 -2.24 -1.26 -4.65 114.28 114.57 2dyr n THR 53 Ca 0.19 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.00 2dyr n THR 53 Cb 0.56 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.93 2dyr n THR 53 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2dyr h ASN 54 N 0.00 0.00 -5.05 3.42 2.35 -1.95 -3.42 115.58 110.94 2dyr h ASN 54 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2dyr h ASN 54 Cb 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.22 2dyr h ASN 54 CO 0.00 0.47 -0.08 -1.59 -1.65 0.00 0.00 177.43 174.59 2dyr s LYS 55 N -3.19 0.98 -0.13 0.81 -2.85 -1.26 -0.35 119.74 113.75 2dyr s LYS 55 Ca 0.02 -0.48 -0.16 0.00 -1.00 0.00 0.00 55.97 54.36 2dyr s LYS 55 Cb 0.09 0.44 0.04 0.00 -2.06 0.00 0.00 37.83 36.34 2dyr s LYS 55 CO 0.72 -0.36 0.43 0.50 0.10 0.00 0.00 175.35 176.74 2dyr s ARG 56 N -2.96 0.57 0.08 1.78 3.52 -0.26 -4.93 118.95 116.75 2dyr s ARG 56 Ca -0.02 0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.72 2dyr s ARG 56 Cb 0.00 0.27 -0.06 0.00 -1.56 0.00 0.00 34.95 33.61 2dyr s ARG 56 CO -0.06 -0.10 1.14 0.42 -0.81 0.00 0.00 175.30 175.89 2dyr s ILE 57 N -0.12 4.13 -0.07 4.11 1.01 -1.26 0.08 121.20 129.08 2dyr s ILE 57 Ca -0.03 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.22 2dyr s ILE 57 Cb -0.03 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2dyr s ILE 57 CO 0.02 0.16 -0.08 -0.69 0.00 0.00 0.00 174.94 174.35 2dyr s VAL 58 N 0.74 3.59 -0.18 2.92 1.01 0.11 -4.91 120.40 123.68 2dyr s VAL 58 Ca 0.55 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 2dyr s VAL 58 Cb -0.28 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2dyr s VAL 58 CO 0.30 0.59 -0.14 -0.83 0.00 0.00 0.00 175.10 175.02 2dyr s GLY 59 N -0.71 1.48 -0.24 4.51 0.00 -1.26 -1.35 107.32 109.75 2dyr s GLY 59 Ca 0.11 -1.14 -0.05 0.00 0.00 0.00 0.00 44.72 43.64 2dyr s GLY 59 CO 0.01 0.21 -0.00 0.00 0.00 0.00 0.00 173.10 173.32 2dyr s ILE 61 N 1.50 5.50 0.25 0.00 1.01 -1.26 -1.35 121.20 126.84 2dyr s ILE 61 Ca 0.05 -2.62 -0.10 0.00 0.00 0.00 0.00 60.65 57.98 2dyr s ILE 61 Cb -0.15 -4.62 0.34 0.00 0.01 0.00 0.00 42.46 38.04 2dyr s ILE 61 CO -0.01 -1.24 1.60 0.00 0.00 0.00 0.00 174.94 175.29 2dyr s GLU 63 N -6.23 1.19 0.27 0.00 2.02 -1.26 -5.06 118.70 109.63 2dyr s GLU 63 Ca -0.14 -0.90 -0.30 0.00 0.02 0.00 0.00 54.97 53.64 2dyr s GLU 63 Cb 0.23 -1.28 -0.13 0.00 0.10 0.00 0.00 34.13 33.05 2dyr s GLU 63 CO 0.76 0.32 1.42 -1.91 0.02 0.00 0.00 175.26 175.87 2dyr n GLU 64 N 1.77 2.18 -1.00 1.61 2.13 -1.26 -1.68 120.64 124.39 2dyr n GLU 64 Ca -0.18 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.42 2dyr n GLU 64 Cb 0.54 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.81 2dyr n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dyr n ASP 65 N 1.91 -0.91 -4.77 4.31 10.43 -1.26 -5.02 116.55 121.24 2dyr n ASP 65 Ca 0.10 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.05 2dyr n ASP 65 Cb 0.33 -0.16 -0.02 0.00 1.84 0.00 0.00 41.12 43.12 2dyr n ASP 65 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2dyr s ASN 66 N -2.69 6.72 0.13 -2.24 -0.87 -0.67 -4.91 114.94 110.40 2dyr s ASN 66 Ca 0.00 2.73 0.20 0.00 -1.57 0.00 0.00 52.86 54.22 2dyr s ASN 66 Cb 0.00 -2.65 -0.08 0.00 -0.02 0.00 0.00 41.25 38.50 2dyr s ASN 66 CO 0.00 -0.58 0.91 -1.54 -2.57 0.00 0.00 177.10 173.32 2dyr n SER 67 N 0.83 0.79 -4.68 -1.22 3.41 -1.26 -4.84 113.62 106.65 2dyr n SER 67 Ca 0.00 0.32 -0.40 0.00 -0.26 0.00 0.00 58.87 58.53 2dyr n SER 67 Cb 0.41 0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 64.75 2dyr n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2dyr s THR 68 N -3.19 5.00 -0.15 6.66 2.01 -1.26 -5.06 115.64 119.65 2dyr s THR 68 Ca -0.02 1.36 -0.06 0.00 0.31 0.00 0.00 61.69 63.28 2dyr s THR 68 Cb 0.09 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2dyr s THR 68 CO 0.81 0.14 0.06 -0.69 -0.69 0.00 0.00 174.62 174.24 2dyr s VAL 69 N 1.59 4.75 -0.27 3.82 1.01 -1.26 -4.69 120.40 125.34 2dyr s VAL 69 Ca 0.33 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 2dyr s VAL 69 Cb -0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2dyr s VAL 69 CO 0.13 0.51 0.43 -0.63 0.00 0.00 0.00 175.10 175.54 2dyr s ILE 70 N -0.06 5.13 -0.08 2.22 -1.09 -0.46 -4.86 121.20 122.00 2dyr s ILE 70 Ca 0.06 0.67 -0.00 0.00 -2.23 0.00 0.00 60.65 59.15 2dyr s ILE 70 Cb -0.12 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 2dyr s ILE 70 CO 0.01 0.11 -0.04 0.26 -1.23 0.00 0.00 174.94 174.06 2dyr s TRP 71 N 2.17 3.04 -0.07 3.97 0.52 -1.26 0.45 118.94 127.76 2dyr s TRP 71 Ca 0.17 0.10 -0.29 0.00 0.02 0.00 0.00 56.10 56.10 2dyr s TRP 71 Cb -0.16 -1.75 0.11 0.00 -1.15 0.00 0.00 33.47 30.52 2dyr s TRP 71 CO 0.10 0.39 0.88 -0.59 0.02 0.00 0.00 176.95 177.75 2dyr s PHE 72 N -0.84 -0.43 0.05 -1.98 -0.12 -0.45 -4.99 117.98 109.22 2dyr s PHE 72 Ca 0.13 0.59 -0.30 0.00 -0.05 0.00 0.00 56.93 57.29 2dyr s PHE 72 Cb -0.11 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 2dyr s PHE 72 CO 0.02 -0.48 1.03 -1.58 -0.05 0.00 0.00 175.22 174.16 2dyr s TRP 73 N -1.88 3.63 -0.26 3.49 0.52 -1.26 0.06 118.94 123.25 2dyr s TRP 73 Ca -0.01 1.62 -0.09 0.00 0.02 0.00 0.00 56.10 57.64 2dyr s TRP 73 Cb -0.01 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.09 2dyr s TRP 73 CO -0.01 -0.30 0.11 -1.17 0.02 0.00 0.00 176.95 175.60 2dyr s LEU 74 N 0.73 3.66 0.17 2.99 2.96 0.11 -4.91 118.68 124.39 2dyr s LEU 74 Ca 0.52 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 2dyr s LEU 74 Cb -0.24 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2dyr s LEU 74 CO 0.29 -0.03 0.36 -1.00 -1.32 0.00 0.00 176.35 174.65 2dyr s HIS 75 N 1.59 3.49 0.33 5.38 3.76 -1.26 -1.10 115.29 127.47 2dyr s HIS 75 Ca 0.06 0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 55.02 2dyr s HIS 75 Cb -0.15 -1.85 -0.11 0.00 1.11 0.00 0.00 32.58 31.58 2dyr s HIS 75 CO 0.06 0.42 1.53 0.21 -0.85 0.00 0.00 174.74 176.11 2dyr s LYS 76 N -3.13 4.13 0.00 1.40 2.20 0.52 -4.47 119.74 120.39 2dyr s LYS 76 Ca 0.38 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 2dyr s LYS 76 Cb -0.11 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2dyr s LYS 76 CO 0.28 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 2dyr n GLY 77 N 1.28 0.39 3.76 5.54 0.00 -1.26 -5.05 105.19 109.86 2dyr n GLY 77 Ca 0.04 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 2dyr n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dyr s GLU 78 N -0.94 3.78 0.42 1.61 2.12 -1.26 -4.69 118.70 119.74 2dyr s GLU 78 Ca 0.00 2.11 -0.24 0.00 0.36 0.00 0.00 54.97 57.20 2dyr s GLU 78 Cb 0.00 -2.61 -0.10 0.00 0.26 0.00 0.00 34.13 31.68 2dyr s GLU 78 CO 0.00 -0.63 1.05 0.00 -0.54 0.00 0.00 175.26 175.13 2dyr n ALA 79 N -0.19 0.33 -2.60 6.30 0.00 -1.26 -4.93 120.51 118.17 2dyr n ALA 79 Ca 0.05 0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.50 2dyr n ALA 79 Cb 0.44 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.72 2dyr n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dyr s GLN 80 N -2.04 2.28 0.07 0.00 -0.21 -0.27 -4.92 119.66 114.57 2dyr s GLN 80 Ca 0.63 -1.50 0.08 0.00 0.02 0.00 0.00 55.36 54.59 2dyr s GLN 80 Cb -0.55 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 2dyr s GLN 80 CO 0.57 0.27 -0.19 1.03 -2.12 0.00 0.00 175.29 174.84 2dyr s ARG 81 N -3.72 1.94 0.17 2.91 0.52 -1.26 -1.18 118.95 118.32 2dyr s ARG 81 Ca 0.34 -1.06 -0.32 0.00 -0.52 0.00 0.00 55.73 54.17 2dyr s ARG 81 Cb -0.04 -2.13 -0.11 0.00 0.52 0.00 0.00 34.95 33.18 2dyr s ARG 81 CO 0.21 0.52 1.73 0.00 0.02 0.00 0.00 175.30 177.78 2dyr h PRO 83 N 7.42 0.00 0.00 0.00 0.11 -1.96 0.55 132.00 138.12 2dyr h PRO 83 Ca -0.44 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.31 2dyr h PRO 83 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 2dyr h PRO 83 CO 0.95 0.00 -2.19 0.45 -0.21 0.00 0.00 178.00 177.00 2dyr n SER 84 N -2.43 1.93 -0.26 -2.05 2.88 -1.26 -4.77 113.62 107.67 2dyr n SER 84 Ca -0.02 0.33 0.06 0.00 -1.33 0.00 0.00 58.87 57.92 2dyr n SER 84 Cb 0.05 -0.79 -0.01 0.00 -0.75 0.00 0.00 64.21 62.71 2dyr n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dyr n GLY 86 N 1.05 0.96 3.76 0.00 0.00 0.18 -4.94 105.19 106.21 2dyr n GLY 86 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2dyr n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dyr s THR 87 N -3.25 2.07 0.17 2.61 -4.23 -1.26 -4.28 115.64 107.47 2dyr s THR 87 Ca 0.00 0.06 -0.18 0.00 -1.18 0.00 0.00 61.69 60.39 2dyr s THR 87 Cb 0.00 -3.04 -0.08 0.00 1.34 0.00 0.00 72.50 70.73 2dyr s THR 87 CO 0.00 0.01 0.64 -1.00 -0.54 0.00 0.00 174.62 173.73 2dyr s HIS 88 N -1.22 3.66 -0.00 3.99 0.09 0.23 -1.30 115.29 120.73 2dyr s HIS 88 Ca 0.63 1.26 0.02 0.00 -0.00 0.00 0.00 55.06 56.97 2dyr s HIS 88 Cb -0.43 -2.52 -0.00 0.00 -0.00 0.00 0.00 32.58 29.63 2dyr s HIS 88 CO 0.54 0.41 -0.05 0.71 -0.00 0.00 0.00 174.74 176.35 2dyr s TYR 89 N -1.44 0.44 -0.04 1.40 2.02 -0.33 -1.04 117.35 118.37 2dyr s TYR 89 Ca 0.39 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 2dyr s TYR 89 Cb -0.17 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.13 2dyr s TYR 89 CO 0.20 -0.01 -0.04 0.21 -1.57 0.00 0.00 175.55 174.34 2dyr s LYS 90 N -0.14 0.80 0.10 -0.62 2.20 -0.04 -1.11 119.74 120.92 2dyr s LYS 90 Ca 0.02 -0.10 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 2dyr s LYS 90 Cb -0.02 -0.82 -0.06 0.00 -1.51 0.00 0.00 37.83 35.42 2dyr s LYS 90 CO -0.00 -0.08 1.11 -1.17 -0.36 0.00 0.00 175.35 174.84 2dyr s LEU 91 N 0.92 4.43 -0.50 5.43 2.96 -1.26 -0.74 118.68 129.91 2dyr s LEU 91 Ca -0.11 1.97 0.03 0.00 -0.22 0.00 0.00 54.13 55.80 2dyr s LEU 91 Cb -0.14 -3.59 0.13 0.00 0.50 0.00 0.00 46.19 43.09 2dyr s LEU 91 CO 0.00 -0.31 0.27 0.68 -1.32 0.00 0.00 176.35 175.67 2dyr s VAL 92 N 0.47 2.22 0.88 1.68 -7.23 -0.09 -4.69 120.40 113.64 2dyr s VAL 92 Ca 0.53 -3.13 -0.13 0.00 -1.81 0.00 0.00 61.98 57.44 2dyr s VAL 92 Cb -0.28 -2.54 0.06 0.00 0.56 0.00 0.00 36.38 34.19 2dyr s VAL 92 CO 0.31 -0.84 0.75 -0.81 -0.31 0.00 0.00 175.10 174.20 2dyr n PRO 93 N 3.18 -0.14 0.00 4.82 -0.04 -1.26 -2.90 135.00 138.65 2dyr n PRO 93 Ca 0.07 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2dyr n PRO 93 Cb 0.33 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2dyr n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2dyr n HIS 94 N -3.50 -0.27 0.00 0.54 8.25 0.75 -4.79 115.22 116.20 2dyr n HIS 94 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2dyr n HIS 94 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2dyr n HIS 94 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2dyr n GLN 95 N -0.01 0.00 0.00 -0.41 -0.06 -1.26 -4.86 117.38 110.78 2dyr n GLN 95 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2dyr n GLN 95 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2dyr n GLN 95 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2dyr n LEU 96 N 0.00 0.00 -4.63 1.69 0.00 -1.26 -4.66 117.00 108.14 2dyr n LEU 96 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.58 2dyr n LEU 96 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 2dyr n LEU 96 CO 0.00 0.00 0.80 0.00 0.00 0.00 0.00 177.39 178.19 2dyr s ALA 97 N -0.97 3.50 -2.00 1.96 0.00 -1.26 -5.12 121.76 117.88 2dyr s ALA 97 Ca 0.00 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 51.83 2dyr s ALA 97 Cb 0.00 -3.52 0.61 0.00 0.00 0.00 0.00 23.12 20.21 2dyr s ALA 97 CO 0.00 -1.39 1.05 0.72 0.00 0.00 0.00 175.76 176.15