#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pn0 s PRO 5 N 0.00 4.23 0.15 1.64 0.02 -1.26 -5.00 135.00 134.77 2pn0 s PRO 5 Ca 0.00 2.37 -0.09 0.00 0.02 0.00 0.00 61.00 63.30 2pn0 s PRO 5 Cb 0.00 -3.10 -0.06 0.00 0.02 0.00 0.00 34.50 31.36 2pn0 s PRO 5 CO 0.00 -0.50 0.46 0.15 -0.33 0.00 0.00 177.00 176.78 2pn0 s LYS 6 N -0.12 3.76 0.00 5.54 1.02 -1.26 -5.10 119.74 123.58 2pn0 s LYS 6 Ca 0.62 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.79 2pn0 s LYS 6 Cb -0.43 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 2pn0 s LYS 6 CO 0.42 0.46 0.00 0.44 -0.92 0.00 0.00 175.35 175.75 2pn0 n ILE 7 N 0.38 0.00 0.00 2.17 -5.35 -1.26 -4.80 119.36 110.50 2pn0 n ILE 7 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 2pn0 n ILE 7 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2pn0 n ILE 7 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pn0 n ILE 9 N 0.00 0.00 -1.65 7.28 3.06 -0.86 -0.11 119.36 127.07 2pn0 n ILE 9 Ca 0.00 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 59.91 2pn0 n ILE 9 Cb 0.00 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.24 2pn0 n ILE 9 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2pn0 s SER 10 N 0.00 4.74 0.22 9.51 1.04 -1.26 -0.70 113.70 127.25 2pn0 s SER 10 Ca 0.00 2.18 -0.08 0.00 0.48 0.00 0.00 55.95 58.53 2pn0 s SER 10 Cb 0.00 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 63.87 2pn0 s SER 10 CO 0.00 -1.89 1.73 0.28 0.98 0.00 0.00 173.24 174.34 2pn0 h SER 11 N -0.02 0.16 -0.45 7.02 0.02 -1.72 0.11 113.55 118.68 2pn0 h SER 11 Ca -0.47 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.51 2pn0 h SER 11 Cb 1.27 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 2pn0 h SER 11 CO 0.52 0.08 0.03 0.25 -1.14 0.00 0.00 176.83 176.58 2pn0 h LEU 12 N 0.36 0.75 -0.17 5.07 5.85 -1.92 -0.27 115.31 124.98 2pn0 h LEU 12 Ca 0.33 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2pn0 h LEU 12 Cb 0.46 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2pn0 h LEU 12 CO -0.36 0.85 -0.08 0.44 -0.34 0.00 0.00 178.44 178.96 2pn0 h ASP 13 N 0.63 -0.26 -0.62 1.25 3.45 -1.86 0.49 116.42 119.51 2pn0 h ASP 13 Ca 0.13 0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 2pn0 h ASP 13 Cb 0.45 0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 2pn0 h ASP 13 CO 0.02 -0.10 0.38 0.00 -1.57 0.00 0.00 179.24 177.96 2pn0 h ALA 14 N 1.11 0.79 0.02 3.45 0.00 -0.79 0.54 119.26 124.37 2pn0 h ALA 14 Ca 0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pn0 h ALA 14 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2pn0 h ALA 14 CO -0.21 0.26 -0.01 1.49 0.00 0.00 0.00 179.25 180.78 2pn0 h GLU 15 N 0.84 -0.03 -0.68 0.00 4.81 -0.70 -1.01 114.58 117.81 2pn0 h GLU 15 Ca 0.22 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2pn0 h GLU 15 Cb -0.03 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2pn0 h GLU 15 CO -0.04 0.22 0.26 0.00 -0.73 0.00 0.00 179.01 178.72 2pn0 h ARG 16 N -0.28 1.02 -0.40 1.92 3.08 -0.76 -1.83 114.38 117.14 2pn0 h ARG 16 Ca -0.00 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 2pn0 h ARG 16 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2pn0 h ARG 16 CO 0.00 0.86 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.54 2pn0 h LEU 17 N 0.97 0.81 -0.87 3.04 3.38 -0.90 0.11 115.31 121.85 2pn0 h LEU 17 Ca 0.22 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.86 2pn0 h LEU 17 Cb 0.22 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2pn0 h LEU 17 CO -0.02 1.02 0.55 -0.08 0.09 0.00 0.00 178.44 180.00 2pn0 h GLU 18 N 0.61 1.00 -0.18 1.13 4.81 -0.95 0.57 114.58 121.57 2pn0 h GLU 18 Ca 0.09 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2pn0 h GLU 18 Cb 0.69 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2pn0 h GLU 18 CO 0.05 0.66 -0.23 0.82 -0.73 0.00 0.00 179.01 179.58 2pn0 h ILE 19 N 1.03 1.34 -0.43 2.32 2.04 -1.14 -2.03 117.51 120.65 2pn0 h ILE 19 Ca 0.37 -1.44 0.08 0.00 1.00 0.00 0.00 64.86 64.87 2pn0 h ILE 19 Cb 0.10 1.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 2pn0 h ILE 19 CO -0.15 0.43 -0.00 0.25 0.00 0.00 0.00 178.15 178.68 2pn0 h LEU 20 N 0.11 -0.18 -1.72 1.44 5.85 -0.36 -1.39 115.31 119.06 2pn0 h LEU 20 Ca 0.02 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2pn0 h LEU 20 Cb 0.80 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2pn0 h LEU 20 CO 0.06 -0.05 0.08 -0.07 -0.34 0.00 0.00 178.44 178.11 2pn0 h LEU 21 N 0.11 0.23 0.00 2.25 4.07 -0.76 -1.47 115.31 119.74 2pn0 h LEU 21 Ca 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.16 2pn0 h LEU 21 Cb 0.30 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2pn0 h LEU 21 CO -0.35 0.21 0.00 -1.84 -1.08 0.00 0.00 178.44 175.38 2pn0 n GLU 22 N -4.46 0.97 -0.21 1.13 0.28 -0.55 -2.68 120.64 115.12 2pn0 n GLU 22 Ca -0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.09 2pn0 n GLU 22 Cb 0.11 -1.47 0.21 0.00 1.43 0.00 0.00 31.44 31.72 2pn0 n GLU 22 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2pn0 n THR 23 N -0.97 0.70 -4.59 3.84 -2.24 -0.56 -4.98 114.28 105.48 2pn0 n THR 23 Ca 0.22 -0.85 -0.27 0.00 -2.27 0.00 0.00 64.05 60.88 2pn0 n THR 23 Cb 0.10 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 2pn0 n THR 23 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2pn0 s LEU 24 N -1.17 2.22 1.00 3.22 1.43 -1.09 -5.12 118.68 119.16 2pn0 s LEU 24 Ca 0.34 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2pn0 s LEU 24 Cb 0.19 -1.07 0.19 0.00 0.03 0.00 0.00 46.19 45.53 2pn0 s LEU 24 CO 0.26 0.17 1.08 -0.94 0.23 0.00 0.00 176.35 177.15 2pn0 s SER 25 N -1.47 2.56 0.51 2.29 1.04 -1.26 -4.92 113.70 112.45 2pn0 s SER 25 Ca 0.09 1.42 0.29 0.00 0.48 0.00 0.00 55.95 58.24 2pn0 s SER 25 Cb -0.09 -2.10 1.32 0.00 0.10 0.00 0.00 66.02 65.24 2pn0 s SER 25 CO 0.03 -3.21 1.98 1.56 0.98 0.00 0.00 173.24 174.59 2pn0 h GLN 26 N -1.94 0.00 -0.34 4.02 1.08 -1.99 -2.70 115.11 113.24 2pn0 h GLN 26 Ca -0.54 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 2pn0 h GLN 26 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2pn0 h GLN 26 CO 0.54 0.11 0.00 0.27 -0.95 0.00 0.00 178.83 178.80 2pn0 n ASN 27 N -3.35 3.18 -0.22 1.46 6.94 -1.26 -4.66 115.26 117.35 2pn0 n ASN 27 Ca -0.01 -1.92 0.19 0.00 -0.02 0.00 0.00 54.58 52.82 2pn0 n ASN 27 Cb 0.31 -0.22 0.52 0.00 -2.36 0.00 0.00 39.78 38.04 2pn0 n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pn0 h ALA 28 N 3.74 2.23 -2.44 -2.53 0.00 -1.83 -3.43 119.26 114.99 2pn0 h ALA 28 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2pn0 h ALA 28 Cb 0.87 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.43 2pn0 h ALA 28 CO 0.00 -0.49 -0.19 -0.59 0.00 0.00 0.00 179.25 177.98 2pn0 s PHE 29 N -5.39 -0.28 0.31 0.00 -0.12 -1.26 -5.03 117.98 106.21 2pn0 s PHE 29 Ca -0.08 0.47 -0.29 0.00 -0.05 0.00 0.00 56.93 56.99 2pn0 s PHE 29 Cb 0.22 0.15 -0.10 0.00 -0.63 0.00 0.00 43.02 42.66 2pn0 s PHE 29 CO 0.78 -0.41 1.35 -1.25 -0.05 0.00 0.00 175.22 175.63 2pn0 s PRO 30 N -1.19 4.32 0.00 1.99 0.04 -1.26 -2.51 135.00 136.38 2pn0 s PRO 30 Ca -0.12 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2pn0 s PRO 30 Cb -0.04 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2pn0 s PRO 30 CO 0.05 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.23 2pn0 n GLY 31 N 1.10 0.82 0.30 0.56 0.00 -1.26 -4.85 105.19 101.87 2pn0 n GLY 31 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2pn0 n GLY 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pn0 h ARG 32 N 3.83 -0.31 -0.91 1.61 2.43 -1.82 0.13 114.38 119.34 2pn0 h ARG 32 Ca 0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2pn0 h ARG 32 Cb 0.00 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 2pn0 h ARG 32 CO 0.00 -0.20 0.60 -0.44 -1.51 0.00 0.00 179.97 178.41 2pn0 h ASP 33 N -0.32 0.99 -0.40 -3.80 3.32 -1.86 0.29 116.42 114.63 2pn0 h ASP 33 Ca 0.12 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 2pn0 h ASP 33 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2pn0 h ASP 33 CO -0.36 0.68 -0.30 0.44 -1.72 0.00 0.00 179.24 177.98 2pn0 h ASP 34 N 1.15 0.97 -0.49 6.45 3.32 -1.77 -0.27 116.42 125.78 2pn0 h ASP 34 Ca 0.36 -0.40 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 2pn0 h ASP 34 Cb 0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2pn0 h ASP 34 CO -0.11 1.19 -0.16 0.25 -1.72 0.00 0.00 179.24 178.69 2pn0 h LEU 35 N 0.79 0.98 -0.57 1.55 5.85 -0.03 -1.54 115.31 122.34 2pn0 h LEU 35 Ca 0.09 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.46 2pn0 h LEU 35 Cb 0.87 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2pn0 h LEU 35 CO 0.08 1.14 0.34 -0.33 -0.34 0.00 0.00 178.44 179.32 2pn0 h GLU 36 N 0.82 0.65 -0.62 1.25 5.08 -0.78 -0.70 114.58 120.28 2pn0 h GLU 36 Ca 0.12 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2pn0 h GLU 36 Cb 0.73 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2pn0 h GLU 36 CO 0.06 0.43 0.27 0.00 -1.00 0.00 0.00 179.01 178.76 2pn0 h ALA 37 N 1.26 0.80 -0.44 3.43 0.00 -0.86 0.15 119.26 123.60 2pn0 h ALA 37 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pn0 h ALA 37 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2pn0 h ALA 37 CO -0.11 0.40 0.26 1.49 0.00 0.00 0.00 179.25 181.29 2pn0 h GLU 38 N 0.86 0.61 -0.27 0.00 4.81 -0.96 -2.76 114.58 116.87 2pn0 h GLU 38 Ca 0.21 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 2pn0 h GLU 38 Cb 0.17 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2pn0 h GLU 38 CO -0.02 0.46 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.29 2pn0 h LEU 39 N 0.58 0.62 -1.74 1.64 3.38 -0.56 -2.02 115.31 117.21 2pn0 h LEU 39 Ca 0.16 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2pn0 h LEU 39 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2pn0 h LEU 39 CO -0.03 0.92 0.11 0.00 0.09 0.00 0.00 178.44 179.53 2pn0 h ALA 40 N 1.11 1.81 -0.26 1.53 0.00 -0.49 -2.58 119.26 120.38 2pn0 h ALA 40 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pn0 h ALA 40 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2pn0 h ALA 40 CO 0.07 0.17 0.00 2.89 0.00 0.00 0.00 179.25 182.38 2pn0 n ARG 41 N -4.48 2.02 -1.72 0.00 1.85 -1.06 -5.03 116.66 108.24 2pn0 n ARG 41 Ca 0.00 -1.86 -0.35 0.00 -1.00 0.00 0.00 57.85 54.64 2pn0 n ARG 41 Cb 0.10 -1.34 0.06 0.00 -1.05 0.00 0.00 32.46 30.23 2pn0 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2pn0 s ALA 42 N -1.15 2.34 -0.64 2.89 0.00 -0.78 -4.75 121.76 119.68 2pn0 s ALA 42 Ca 0.26 0.93 -0.24 0.00 0.00 0.00 0.00 51.96 52.91 2pn0 s ALA 42 Cb 0.15 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.87 2pn0 s ALA 42 CO 0.21 -1.52 0.99 -1.21 0.00 0.00 0.00 175.76 174.24 2pn0 s GLU 43 N -3.66 3.18 -0.21 0.00 2.02 0.84 -4.96 118.70 115.91 2pn0 s GLU 43 Ca 0.76 -0.60 -0.24 0.00 0.02 0.00 0.00 54.97 54.91 2pn0 s GLU 43 Cb -0.30 -4.17 -0.01 0.00 0.10 0.00 0.00 34.13 29.75 2pn0 s GLU 43 CO 0.40 -1.76 0.77 0.08 0.02 0.00 0.00 175.26 174.76 2pn0 s VAL 44 N 4.23 4.90 0.26 2.63 1.01 -1.26 -2.03 120.40 130.14 2pn0 s VAL 44 Ca 0.26 1.46 0.02 0.00 0.00 0.00 0.00 61.98 63.73 2pn0 s VAL 44 Cb -0.15 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2pn0 s VAL 44 CO 0.13 0.00 0.05 0.68 0.00 0.00 0.00 175.10 175.97 2pn0 s VAL 45 N 2.42 0.83 0.24 2.92 -7.23 0.12 -4.86 120.40 114.85 2pn0 s VAL 45 Ca 0.34 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.19 2pn0 s VAL 45 Cb -0.16 -2.55 -0.12 0.00 0.56 0.00 0.00 36.38 34.12 2pn0 s VAL 45 CO 0.09 -0.13 1.67 -0.62 -0.31 0.00 0.00 175.10 175.80 2pn0 s ASP 46 N -3.34 6.38 0.56 4.85 -1.08 -1.26 -1.93 116.67 120.86 2pn0 s ASP 46 Ca 0.34 2.89 0.25 0.00 -0.52 0.00 0.00 52.55 55.51 2pn0 s ASP 46 Cb 0.07 -2.61 1.55 0.00 -1.46 0.00 0.00 42.92 40.46 2pn0 s ASP 46 CO 0.12 -0.95 2.12 1.55 0.52 0.00 0.00 175.17 178.53 2pn0 h PRO 47 N 6.02 0.00 0.00 4.34 0.13 -1.96 0.70 132.00 141.24 2pn0 h PRO 47 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2pn0 h PRO 47 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2pn0 h PRO 47 CO 0.89 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.59 2pn0 h GLU 48 N 0.00 0.00 -0.01 0.86 4.39 -2.03 -2.01 114.58 115.78 2pn0 h GLU 48 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2pn0 h GLU 48 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2pn0 h GLU 48 CO -0.00 0.00 -0.12 0.39 -1.16 0.00 0.00 179.01 178.12 2pn0 n GLU 49 N -2.43 1.30 -3.11 2.33 -0.58 0.24 -4.81 120.64 113.57 2pn0 n GLU 49 Ca 0.01 -0.77 -0.40 0.00 -0.42 0.00 0.00 57.16 55.58 2pn0 n GLU 49 Cb 0.18 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 2pn0 n GLU 49 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2pn0 s ILE 50 N -2.23 5.01 0.69 -3.67 1.01 -0.76 -5.03 121.20 116.22 2pn0 s ILE 50 Ca 0.31 1.19 -0.16 0.00 0.00 0.00 0.00 60.65 62.00 2pn0 s ILE 50 Cb 0.20 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2pn0 s ILE 50 CO 0.42 0.09 1.22 -2.84 0.00 0.00 0.00 174.94 173.83 2pn0 s PRO 51 N 2.02 2.38 0.00 2.79 0.02 -1.26 -4.87 135.00 136.08 2pn0 s PRO 51 Ca 0.29 1.80 0.17 0.00 0.02 0.00 0.00 61.00 63.28 2pn0 s PRO 51 Cb -0.16 -1.86 0.86 0.00 0.02 0.00 0.00 34.50 33.36 2pn0 s PRO 51 CO 0.10 -1.66 1.49 -0.35 -0.33 0.00 0.00 177.00 176.25 2pn0 n PRO 52 N -2.38 0.25 0.00 5.54 -0.04 -1.26 -1.79 135.00 135.32 2pn0 n PRO 52 Ca 0.14 0.12 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2pn0 n PRO 52 Cb 0.50 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.85 2pn0 n PRO 52 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pn0 n THR 53 N -1.27 0.00 -3.91 0.52 -2.24 -1.26 -4.37 114.28 101.74 2pn0 n THR 53 Ca 0.08 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 2pn0 n THR 53 Cb 0.13 0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 2pn0 n THR 53 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pn0 s VAL 54 N -2.48 5.11 -0.04 2.28 1.01 -0.74 -0.44 120.40 125.11 2pn0 s VAL 54 Ca 0.25 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 2pn0 s VAL 54 Cb 0.19 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2pn0 s VAL 54 CO 0.51 0.50 1.51 -0.69 0.00 0.00 0.00 175.10 176.93 2pn0 s VAL 55 N -0.01 3.67 0.00 2.92 1.01 0.66 -4.95 120.40 123.71 2pn0 s VAL 55 Ca 0.08 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2pn0 s VAL 55 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2pn0 s VAL 55 CO 0.00 -0.05 0.00 0.35 0.00 0.00 0.00 175.10 175.40 2pn0 n THR 56 N 5.13 0.00 -0.04 3.92 -2.24 -1.26 -1.11 114.28 118.68 2pn0 n THR 56 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2pn0 n THR 56 Cb 0.43 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2pn0 n THR 56 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pn0 n ASN 58 N 0.00 0.00 -4.81 3.42 3.02 0.14 -4.79 115.26 112.25 2pn0 n ASN 58 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 2pn0 n ASN 58 Cb 0.00 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 2pn0 n ASN 58 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2pn0 s SER 59 N -0.04 7.09 -0.23 6.41 0.01 -1.25 -4.79 113.70 120.90 2pn0 s SER 59 Ca 0.00 1.57 -0.09 0.00 1.31 0.00 0.00 55.95 58.74 2pn0 s SER 59 Cb 0.00 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2pn0 s SER 59 CO 0.00 -0.09 0.12 -0.89 0.41 0.00 0.00 173.24 172.79 2pn0 s THR 60 N -1.72 5.05 -0.20 1.44 2.01 0.97 -1.30 115.64 121.90 2pn0 s THR 60 Ca 0.50 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.53 2pn0 s THR 60 Cb -0.15 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 2pn0 s THR 60 CO 0.20 0.37 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.76 2pn0 s VAL 61 N 1.01 3.49 -0.21 3.82 1.01 0.80 -1.12 120.40 129.19 2pn0 s VAL 61 Ca 0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 2pn0 s VAL 61 Cb -0.14 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2pn0 s VAL 61 CO 0.04 0.45 0.18 -0.60 0.00 0.00 0.00 175.10 175.16 2pn0 s ARG 62 N 1.11 4.15 0.06 2.72 3.52 0.12 -1.35 118.95 129.28 2pn0 s ARG 62 Ca 0.01 -0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.50 2pn0 s ARG 62 Cb -0.15 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2pn0 s ARG 62 CO -0.00 0.17 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.53 2pn0 s PHE 63 N 0.74 2.84 -0.10 5.12 0.08 0.25 -0.05 117.98 126.86 2pn0 s PHE 63 Ca 0.10 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.09 2pn0 s PHE 63 Cb -0.13 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 2pn0 s PHE 63 CO 0.02 0.41 -0.18 0.50 -0.10 0.00 0.00 175.22 175.87 2pn0 s ARG 64 N -1.93 2.48 0.33 0.44 3.52 -0.07 -2.00 118.95 121.72 2pn0 s ARG 64 Ca 0.21 -0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 54.84 2pn0 s ARG 64 Cb -0.11 -1.97 -0.11 0.00 -1.56 0.00 0.00 34.95 31.20 2pn0 s ARG 64 CO 0.12 0.06 1.42 0.08 -0.81 0.00 0.00 175.30 176.17 2pn0 s VAL 65 N 0.63 2.40 0.50 7.11 1.01 0.17 -1.20 120.40 131.03 2pn0 s VAL 65 Ca -0.14 0.39 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 2pn0 s VAL 65 Cb -0.16 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 2pn0 s VAL 65 CO 0.04 0.09 1.32 -1.61 0.00 0.00 0.00 175.10 174.94 2pn0 s GLU 66 N -1.59 3.41 -1.46 2.72 2.02 0.10 -2.84 118.70 121.05 2pn0 s GLU 66 Ca 0.53 2.15 -0.10 0.00 0.02 0.00 0.00 54.97 57.58 2pn0 s GLU 66 Cb -0.43 -2.38 0.05 0.00 0.10 0.00 0.00 34.13 31.46 2pn0 s GLU 66 CO 0.55 -0.94 0.84 0.43 0.02 0.00 0.00 175.26 176.16 2pn0 n SER 67 N -0.70 -5.31 -3.54 -0.19 7.64 -1.26 -4.92 113.62 105.34 2pn0 n SER 67 Ca 0.08 -0.53 -0.10 0.00 1.01 0.00 0.00 58.87 59.33 2pn0 n SER 67 Cb 0.45 -4.25 -0.02 0.00 -1.01 0.00 0.00 64.21 59.38 2pn0 n SER 67 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pn0 s SER 68 N -3.04 -0.47 0.00 6.43 0.15 -1.13 -5.05 113.70 110.59 2pn0 s SER 68 Ca 0.51 -0.16 0.21 0.00 0.70 0.00 0.00 55.95 57.22 2pn0 s SER 68 Cb -0.25 0.62 0.12 0.00 -1.71 0.00 0.00 66.02 64.80 2pn0 s SER 68 CO 0.63 -1.04 1.14 0.00 1.20 0.00 0.00 173.24 175.16 2pn0 n ALA 69 N -0.39 2.74 -1.94 5.45 0.00 -1.26 -4.60 120.51 120.50 2pn0 n ALA 69 Ca -0.13 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.23 2pn0 n ALA 69 Cb 0.63 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 2pn0 n ALA 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2pn0 s GLU 70 N -1.94 4.22 0.11 0.00 2.12 -1.26 -4.87 118.70 117.08 2pn0 s GLU 70 Ca 0.23 2.35 0.04 0.00 0.36 0.00 0.00 54.97 57.95 2pn0 s GLU 70 Cb 0.18 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 2pn0 s GLU 70 CO 0.34 -0.60 -0.10 -1.21 -0.54 0.00 0.00 175.26 173.14 2pn0 s GLU 71 N 1.19 0.91 0.00 4.30 2.02 -1.26 -0.65 118.70 125.20 2pn0 s GLU 71 Ca 0.70 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 54.46 2pn0 s GLU 71 Cb -0.43 -0.59 0.00 0.00 0.10 0.00 0.00 34.13 33.21 2pn0 s GLU 71 CO 0.31 0.09 0.00 1.97 0.02 0.00 0.00 175.26 177.65 2pn0 n PHE 72 N 0.39 0.00 -3.65 1.61 1.16 -0.85 -4.99 117.46 111.14 2pn0 n PHE 72 Ca -0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.40 2pn0 n PHE 72 Cb 0.58 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.38 2pn0 n PHE 72 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2pn0 s LEU 74 N 0.00 -0.17 -0.22 5.98 1.43 -0.45 -0.58 118.68 124.67 2pn0 s LEU 74 Ca 0.00 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2pn0 s LEU 74 Cb 0.00 1.31 -0.03 0.00 0.03 0.00 0.00 46.19 47.50 2pn0 s LEU 74 CO 0.00 -0.05 0.05 -0.89 0.23 0.00 0.00 176.35 175.69 2pn0 s THR 75 N 0.36 4.37 -0.22 5.49 2.01 -0.18 -0.14 115.64 127.33 2pn0 s THR 75 Ca 0.02 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 2pn0 s THR 75 Cb -0.04 -3.00 -0.00 0.00 0.01 0.00 0.00 72.50 69.46 2pn0 s THR 75 CO -0.13 0.40 0.93 -0.22 -0.69 0.00 0.00 174.62 174.91 2pn0 s LEU 76 N 1.07 4.11 0.23 4.42 2.96 -0.42 -0.72 118.68 130.34 2pn0 s LEU 76 Ca 0.04 1.23 0.03 0.00 -0.22 0.00 0.00 54.13 55.20 2pn0 s LEU 76 Cb -0.14 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.14 2pn0 s LEU 76 CO 0.03 -0.56 0.02 0.68 -1.32 0.00 0.00 176.35 175.20 2pn0 s VAL 77 N 2.83 0.86 0.63 1.68 -7.23 -0.24 0.28 120.40 119.21 2pn0 s VAL 77 Ca 0.40 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 2pn0 s VAL 77 Cb -0.16 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2pn0 s VAL 77 CO 0.08 -0.28 1.09 -0.31 -0.31 0.00 0.00 175.10 175.37 2pn0 s TYR 78 N -3.54 2.78 0.31 2.82 2.02 -1.26 -1.15 117.35 119.32 2pn0 s TYR 78 Ca 0.29 1.53 0.07 0.00 -0.37 0.00 0.00 57.07 58.60 2pn0 s TYR 78 Cb 0.06 -3.11 0.79 0.00 -0.40 0.00 0.00 41.96 39.31 2pn0 s TYR 78 CO 0.09 -1.45 1.76 -1.35 -1.57 0.00 0.00 175.55 173.03 2pn0 h PRO 79 N 0.22 0.69 0.00 -1.71 0.11 -1.96 0.47 132.00 129.82 2pn0 h PRO 79 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2pn0 h PRO 79 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pn0 h PRO 79 CO 0.56 0.45 0.00 1.57 -0.21 0.00 0.00 178.00 180.37 2pn0 h LYS 80 N 0.71 0.00 -0.58 1.05 2.10 -2.03 -3.10 116.57 114.71 2pn0 h LYS 80 Ca 0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 2pn0 h LYS 80 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2pn0 h LYS 80 CO -0.41 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.79 2pn0 n ASP 81 N -2.80 3.64 -4.77 7.07 8.00 0.15 -4.97 116.55 122.87 2pn0 n ASP 81 Ca 0.02 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 53.18 2pn0 n ASP 81 Cb 0.31 -0.38 0.02 0.00 -0.02 0.00 0.00 41.12 41.05 2pn0 n ASP 81 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2pn0 s VAL 82 N -1.24 3.05 0.45 2.53 -7.23 -1.18 -4.93 120.40 111.86 2pn0 s VAL 82 Ca 0.44 0.61 0.04 0.00 -1.81 0.00 0.00 61.98 61.26 2pn0 s VAL 82 Cb 0.24 -3.20 0.08 0.00 0.56 0.00 0.00 36.38 34.06 2pn0 s VAL 82 CO 0.32 -0.19 0.62 -0.90 -0.31 0.00 0.00 175.10 174.64 2pn0 n ASP 83 N -1.66 1.25 -0.44 4.85 5.75 -1.26 -5.06 116.55 119.98 2pn0 n ASP 83 Ca 0.12 -1.96 0.07 0.00 -0.01 0.00 0.00 54.79 53.01 2pn0 n ASP 83 Cb 0.51 -0.36 0.12 0.00 -1.03 0.00 0.00 41.12 40.36 2pn0 n ASP 83 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2pn0 n THR 84 N -2.11 1.46 -1.29 2.12 -2.24 -1.26 -4.71 114.28 106.25 2pn0 n THR 84 Ca 0.12 -2.02 0.03 0.00 -2.27 0.00 0.00 64.05 59.91 2pn0 n THR 84 Cb 0.42 0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.71 2pn0 n THR 84 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pn0 n SER 85 N -0.90 1.02 0.00 3.42 3.41 -1.26 -5.03 113.62 114.28 2pn0 n SER 85 Ca 0.13 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 2pn0 n SER 85 Cb 0.72 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2pn0 n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pn0 n GLY 86 N -0.54 0.77 0.08 5.00 0.00 -1.26 -4.94 105.19 104.30 2pn0 n GLY 86 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2pn0 n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pn0 n GLU 87 N -2.28 0.66 -4.24 1.61 4.07 -1.26 -4.95 120.64 114.25 2pn0 n GLU 87 Ca 0.00 0.06 -0.28 0.00 -0.06 0.00 0.00 57.16 56.88 2pn0 n GLU 87 Cb 0.00 -1.63 -0.09 0.00 -0.06 0.00 0.00 31.44 29.67 2pn0 n GLU 87 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2pn0 s LYS 88 N -2.78 2.20 -0.02 5.31 1.02 -1.26 -1.01 119.74 123.21 2pn0 s LYS 88 Ca -0.07 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 54.77 2pn0 s LYS 88 Cb 0.08 -2.27 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 2pn0 s LYS 88 CO 0.84 0.46 0.04 -1.50 -0.92 0.00 0.00 175.35 174.27 2pn0 s ILE 89 N -1.57 -0.04 0.43 2.17 2.07 0.10 -4.63 121.20 119.73 2pn0 s ILE 89 Ca 0.25 0.15 -0.23 0.00 -1.41 0.00 0.00 60.65 59.41 2pn0 s ILE 89 Cb -0.10 -0.09 -0.09 0.00 0.13 0.00 0.00 42.46 42.32 2pn0 s ILE 89 CO 0.16 0.06 1.06 -0.55 -1.91 0.00 0.00 174.94 173.76 2pn0 s SER 90 N 0.76 6.55 0.65 4.50 0.15 -1.26 -1.08 113.70 123.98 2pn0 s SER 90 Ca -0.06 2.04 0.40 0.00 0.70 0.00 0.00 55.95 59.03 2pn0 s SER 90 Cb -0.09 -2.58 2.22 0.00 -1.71 0.00 0.00 66.02 63.86 2pn0 s SER 90 CO -0.02 -0.64 2.30 -0.29 1.20 0.00 0.00 173.24 175.79 2pn0 h ILE 91 N 1.96 0.12 -0.00 6.45 6.09 -1.40 -1.54 117.51 129.18 2pn0 h ILE 91 Ca -0.49 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 2pn0 h ILE 91 Cb 1.22 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.47 2pn0 h ILE 91 CO 0.61 0.00 -0.31 0.18 -3.07 0.00 0.00 178.15 175.56 2pn0 n LEU 92 N -3.23 0.36 -4.84 2.19 4.77 -1.26 -2.69 117.00 112.29 2pn0 n LEU 92 Ca -0.03 0.15 -0.32 0.00 -0.03 0.00 0.00 56.01 55.78 2pn0 n LEU 92 Cb 0.12 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2pn0 n LEU 92 CO 0.21 0.09 0.53 0.00 -1.33 0.00 0.00 177.39 176.89 2pn0 s ALA 93 N -2.95 3.20 0.27 -1.18 0.00 -0.58 -4.66 121.76 115.86 2pn0 s ALA 93 Ca 0.13 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 2pn0 s ALA 93 Cb 0.18 -2.93 -0.14 0.00 0.00 0.00 0.00 23.12 20.24 2pn0 s ALA 93 CO 0.63 0.14 1.14 -2.30 0.00 0.00 0.00 175.76 175.37 2pn0 n PRO 94 N -0.76 1.57 0.00 0.00 -0.02 -1.26 -0.32 135.00 134.21 2pn0 n PRO 94 Ca 0.05 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2pn0 n PRO 94 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2pn0 n PRO 94 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pn0 n VAL 95 N 0.68 0.00 -0.27 -1.45 0.31 -1.26 -4.63 118.33 111.71 2pn0 n VAL 95 Ca 0.10 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.39 2pn0 n VAL 95 Cb 0.32 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.26 2pn0 n VAL 95 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2pn0 h GLY 96 N 0.00 -0.09 1.77 2.92 0.00 -1.54 -0.72 103.07 105.41 2pn0 h GLY 96 Ca 0.00 0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.85 2pn0 h GLY 96 CO 0.00 -0.20 0.08 1.48 0.00 0.00 0.00 176.54 177.91 2pn0 h SER 97 N -0.11 0.00 1.45 0.19 4.64 -0.45 -1.71 113.55 117.55 2pn0 h SER 97 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2pn0 h SER 97 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2pn0 h SER 97 CO -0.80 0.00 -0.40 0.00 -0.87 0.00 0.00 176.83 174.77 2pn0 h ALA 98 N 1.94 0.78 -0.39 5.18 0.00 -1.41 -3.37 119.26 121.99 2pn0 h ALA 98 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2pn0 h ALA 98 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pn0 h ALA 98 CO -0.00 0.00 -0.23 -0.07 0.00 0.00 0.00 179.25 178.95 2pn0 h LEU 99 N 0.00 0.79 -9.38 0.00 3.38 -0.53 -3.41 115.31 106.16 2pn0 h LEU 99 Ca 0.00 -0.29 -0.61 0.00 0.09 0.00 0.00 57.88 57.07 2pn0 h LEU 99 Cb 0.92 -0.22 0.04 0.00 0.09 0.00 0.00 40.66 41.50 2pn0 h LEU 99 CO 0.00 0.99 0.88 -0.11 0.09 0.00 0.00 178.44 180.29 2pn0 n LEU 100 N -4.11 3.04 0.00 1.67 7.94 -1.25 -1.54 117.00 122.75 2pn0 n LEU 100 Ca 0.00 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 2pn0 n LEU 100 Cb 0.44 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.02 2pn0 n LEU 100 CO 0.45 -0.29 0.00 0.61 -1.11 0.00 0.00 177.39 177.05 2pn0 n GLY 101 N 3.72 2.19 3.62 -3.96 0.00 -0.27 -5.00 105.19 105.50 2pn0 n GLY 101 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2pn0 n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pn0 s LEU 102 N 0.00 1.67 0.10 0.99 1.43 -0.59 -4.67 118.68 117.61 2pn0 s LEU 102 Ca 0.00 1.50 0.03 0.00 -1.03 0.00 0.00 54.13 54.63 2pn0 s LEU 102 Cb 0.00 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2pn0 s LEU 102 CO 0.00 -3.36 -0.08 0.00 0.23 0.00 0.00 176.35 173.14 2pn0 s ALA 103 N -2.75 1.03 0.09 4.21 0.00 -1.26 -0.24 121.76 122.83 2pn0 s ALA 103 Ca 0.66 -1.25 -0.36 0.00 0.00 0.00 0.00 51.96 51.01 2pn0 s ALA 103 Cb -0.21 0.09 -0.18 0.00 0.00 0.00 0.00 23.12 22.82 2pn0 s ALA 103 CO 0.60 -0.13 1.10 0.94 0.00 0.00 0.00 175.76 178.27 2pn0 n GLN 104 N 0.29 0.58 0.00 0.00 7.27 0.42 -1.32 117.38 124.62 2pn0 n GLN 104 Ca -0.14 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2pn0 n GLN 104 Cb 0.59 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.55 2pn0 n GLN 104 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pn0 n GLY 105 N 1.94 2.12 3.78 1.69 0.00 0.96 -4.99 105.19 110.69 2pn0 n GLY 105 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2pn0 n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pn0 s ASP 106 N -1.55 6.50 -0.14 1.61 1.01 -0.43 -4.68 116.67 119.00 2pn0 s ASP 106 Ca 0.00 2.18 -0.07 0.00 0.71 0.00 0.00 52.55 55.37 2pn0 s ASP 106 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2pn0 s ASP 106 CO 0.00 -0.68 0.12 -0.70 0.21 0.00 0.00 175.17 174.12 2pn0 s GLU 107 N -2.54 3.60 0.12 8.23 2.12 -1.26 -0.73 118.70 128.24 2pn0 s GLU 107 Ca 0.60 -0.19 -0.04 0.00 0.36 0.00 0.00 54.97 55.70 2pn0 s GLU 107 Cb -0.26 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 2pn0 s GLU 107 CO 0.32 0.63 0.12 0.96 -0.54 0.00 0.00 175.26 176.75 2pn0 s ILE 108 N -0.61 0.12 0.06 -3.70 -4.36 -0.42 -5.01 121.20 107.27 2pn0 s ILE 108 Ca 0.12 -1.67 0.03 0.00 -0.26 0.00 0.00 60.65 58.88 2pn0 s ILE 108 Cb -0.12 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 2pn0 s ILE 108 CO 0.02 -0.53 -0.10 -1.61 0.24 0.00 0.00 174.94 172.96 2pn0 s GLU 109 N -3.98 0.65 0.26 0.37 2.02 -1.26 -1.29 118.70 115.46 2pn0 s GLU 109 Ca 0.17 -0.86 -0.17 0.00 0.02 0.00 0.00 54.97 54.13 2pn0 s GLU 109 Cb 0.06 -0.48 0.01 0.00 0.10 0.00 0.00 34.13 33.82 2pn0 s GLU 109 CO -0.02 0.09 0.61 1.67 0.02 0.00 0.00 175.26 177.63 2pn0 s TRP 110 N -1.45 0.04 0.44 1.61 -2.14 -0.82 -4.97 118.94 111.66 2pn0 s TRP 110 Ca -0.06 -0.45 -0.24 0.00 2.66 0.00 0.00 56.10 58.02 2pn0 s TRP 110 Cb -0.09 0.47 -0.08 0.00 -3.10 0.00 0.00 33.47 30.67 2pn0 s TRP 110 CO 0.01 -1.11 1.17 -2.14 -2.66 0.00 0.00 176.95 172.22 2pn0 s PRO 111 N -3.96 3.84 0.09 3.25 0.02 -1.26 -0.03 135.00 136.95 2pn0 s PRO 111 Ca 0.15 1.81 -0.23 0.00 0.02 0.00 0.00 61.00 62.75 2pn0 s PRO 111 Cb -0.03 -2.49 -0.07 0.00 0.02 0.00 0.00 34.50 31.93 2pn0 s PRO 111 CO 0.07 -0.49 0.70 0.15 -0.33 0.00 0.00 177.00 177.10 2pn0 s LYS 112 N -2.58 4.43 0.18 5.54 1.02 -0.42 -4.69 119.74 123.23 2pn0 s LYS 112 Ca 0.62 0.98 -0.33 0.00 0.02 0.00 0.00 55.97 57.25 2pn0 s LYS 112 Cb -0.29 -3.30 -0.13 0.00 -0.52 0.00 0.00 37.83 33.59 2pn0 s LYS 112 CO 0.36 0.48 1.59 -2.30 -0.92 0.00 0.00 175.35 174.56 2pn0 n PRO 113 N 2.12 2.29 -0.01 -1.68 -0.02 -1.26 -1.45 135.00 134.98 2pn0 n PRO 113 Ca -0.06 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2pn0 n PRO 113 Cb 0.50 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2pn0 n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pn0 n GLY 114 N 3.34 0.57 0.00 -1.23 0.00 -1.26 -4.94 105.19 101.66 2pn0 n GLY 114 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2pn0 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pn0 n GLY 115 N -2.00 3.12 0.00 -0.02 0.00 -0.53 -5.16 105.19 100.60 2pn0 n GLY 115 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2pn0 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pn0 n GLY 116 N -0.43 0.40 3.07 -0.02 0.00 -1.26 -4.49 105.19 102.46 2pn0 n GLY 116 Ca 0.00 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 2pn0 n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pn0 s VAL 117 N -1.23 1.47 -0.18 1.61 1.01 -1.26 -1.29 120.40 120.52 2pn0 s VAL 117 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 2pn0 s VAL 117 Cb 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2pn0 s VAL 117 CO 0.00 0.43 0.79 -0.22 0.00 0.00 0.00 175.10 176.11 2pn0 s LEU 118 N 0.75 4.16 -0.23 3.92 2.96 0.96 -4.85 118.68 126.35 2pn0 s LEU 118 Ca -0.12 1.10 -0.06 0.00 -0.22 0.00 0.00 54.13 54.83 2pn0 s LEU 118 Cb -0.16 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 2pn0 s LEU 118 CO 0.02 -0.39 0.04 -0.13 -1.32 0.00 0.00 176.35 174.58 2pn0 s ARG 119 N 2.18 3.63 0.09 1.98 0.52 -1.26 -1.94 118.95 124.16 2pn0 s ARG 119 Ca 0.36 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 55.09 2pn0 s ARG 119 Cb -0.16 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2pn0 s ARG 119 CO 0.11 -0.12 -0.07 0.14 0.02 0.00 0.00 175.30 175.39 2pn0 s VAL 120 N 1.38 0.69 0.07 3.52 -7.23 -0.41 -0.73 120.40 117.69 2pn0 s VAL 120 Ca 0.05 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 2pn0 s VAL 120 Cb -0.15 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2pn0 s VAL 120 CO 0.02 -0.83 -0.22 -0.13 -0.31 0.00 0.00 175.10 173.63 2pn0 s ARG 121 N -3.65 1.34 0.00 4.82 0.52 -0.34 -1.29 118.95 120.34 2pn0 s ARG 121 Ca 0.10 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.96 2pn0 s ARG 121 Cb 0.04 -1.54 -0.05 0.00 0.52 0.00 0.00 34.95 33.93 2pn0 s ARG 121 CO -0.04 0.38 1.27 0.42 0.02 0.00 0.00 175.30 177.35 2pn0 s ILE 122 N -0.93 3.99 -0.05 1.52 1.01 0.10 -0.90 121.20 125.94 2pn0 s ILE 122 Ca 0.08 1.37 0.15 0.00 0.00 0.00 0.00 60.65 62.25 2pn0 s ILE 122 Cb -0.09 -3.88 -0.23 0.00 0.01 0.00 0.00 42.46 38.26 2pn0 s ILE 122 CO 0.03 0.03 0.28 1.33 0.00 0.00 0.00 174.94 176.61 2pn0 n VAL 123 N 4.41 0.22 -3.54 2.92 0.24 0.92 -0.03 118.33 123.47 2pn0 n VAL 123 Ca 0.11 -0.42 -0.17 0.00 -2.04 0.00 0.00 64.34 61.82 2pn0 n VAL 123 Cb 0.45 -0.02 -0.06 0.00 -1.47 0.00 0.00 33.84 32.74 2pn0 n VAL 123 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2pn0 s GLU 124 N -2.94 1.02 -0.05 7.34 2.12 -1.11 -4.88 118.70 120.20 2pn0 s GLU 124 Ca -0.06 0.36 0.03 0.00 0.36 0.00 0.00 54.97 55.66 2pn0 s GLU 124 Cb 0.09 0.48 0.01 0.00 0.26 0.00 0.00 34.13 34.97 2pn0 s GLU 124 CO 0.64 -0.29 -0.14 0.08 -0.54 0.00 0.00 175.26 175.01 2pn0 s VAL 125 N -0.96 1.24 0.03 3.70 1.01 -1.26 -0.70 120.40 123.45 2pn0 s VAL 125 Ca -0.09 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2pn0 s VAL 125 Cb -0.01 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 2pn0 s VAL 125 CO 0.09 0.37 -0.07 0.42 0.00 0.00 0.00 175.10 175.91 2pn0 s THR 126 N 0.36 0.51 -2.59 3.92 -4.23 -0.28 -4.77 115.64 108.56 2pn0 s THR 126 Ca -0.09 -0.79 0.27 0.00 -1.18 0.00 0.00 61.69 59.90 2pn0 s THR 126 Cb -0.13 -0.53 0.48 0.00 1.34 0.00 0.00 72.50 73.66 2pn0 s THR 126 CO 0.03 -0.21 1.65 0.00 -0.54 0.00 0.00 174.62 175.56