#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbm h SER 2 N 0.00 0.09 -5.68 1.61 0.02 -2.12 -3.48 113.55 103.99 2dbm h SER 2 Ca 0.00 -0.74 -0.42 0.00 -0.84 0.00 0.00 61.79 59.79 2dbm h SER 2 Cb 0.00 -0.03 0.08 0.00 0.14 0.00 0.00 62.40 62.59 2dbm h SER 2 CO 0.00 1.37 -0.68 -0.24 -1.14 0.00 0.00 176.83 176.14 2dbm n SER 3 N -4.37 -5.97 -3.58 3.07 2.88 -1.26 -4.96 113.62 99.44 2dbm n SER 3 Ca -0.24 -0.54 -0.06 0.00 -1.33 0.00 0.00 58.87 56.71 2dbm n SER 3 Cb 0.67 -4.73 -0.02 0.00 -0.75 0.00 0.00 64.21 59.38 2dbm n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dbm s GLY 4 N -3.19 -0.38 -0.16 0.46 0.00 -1.26 -5.17 107.32 97.62 2dbm s GLY 4 Ca 0.55 0.96 -0.13 0.00 0.00 0.00 0.00 44.72 46.10 2dbm s GLY 4 CO 0.68 0.30 0.41 -0.45 0.00 0.00 0.00 173.10 174.04 2dbm s SER 5 N -2.54 -0.46 1.07 1.64 0.15 -1.26 -5.16 113.70 107.14 2dbm s SER 5 Ca 0.08 0.85 -0.22 0.00 0.70 0.00 0.00 55.95 57.36 2dbm s SER 5 Cb -0.01 0.81 -0.01 0.00 -1.71 0.00 0.00 66.02 65.11 2dbm s SER 5 CO -0.05 -0.16 -0.57 -1.54 1.20 0.00 0.00 173.24 172.12 2dbm n SER 6 N 3.34 -2.67 0.00 5.45 3.41 -1.26 -4.93 113.62 116.95 2dbm n SER 6 Ca -0.17 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2dbm n SER 6 Cb 0.56 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2dbm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbm n GLY 7 N 2.58 2.18 3.62 5.00 0.00 -1.26 -5.02 105.19 112.28 2dbm n GLY 7 Ca -0.00 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 2dbm n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbm s PRO 8 N -1.70 3.64 0.22 1.61 0.04 -1.26 -4.87 135.00 132.69 2dbm s PRO 8 Ca 0.00 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 2dbm s PRO 8 Cb 0.00 -4.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 2dbm s PRO 8 CO 0.00 -1.48 0.18 0.00 0.04 0.00 0.00 177.00 175.74 2dbm s ARG 11 N 0.80 3.96 -0.20 0.00 3.52 -1.12 -0.62 118.95 125.29 2dbm s ARG 11 Ca -0.04 0.47 -0.25 0.00 -0.13 0.00 0.00 55.73 55.78 2dbm s ARG 11 Cb -0.05 -2.86 -0.01 0.00 -1.56 0.00 0.00 34.95 30.46 2dbm s ARG 11 CO -0.06 0.44 0.83 0.00 -0.81 0.00 0.00 175.30 175.69 2dbm s ALA 12 N -1.55 3.58 -0.26 6.12 0.00 0.22 -0.80 121.76 129.08 2dbm s ALA 12 Ca 0.40 -0.05 0.28 0.00 0.00 0.00 0.00 51.96 52.59 2dbm s ALA 12 Cb -0.14 -3.25 1.03 0.00 0.00 0.00 0.00 23.12 20.75 2dbm s ALA 12 CO 0.19 -0.78 1.82 -0.07 0.00 0.00 0.00 175.76 176.93 2dbm h LEU 13 N 8.72 0.00 -8.33 0.00 3.38 -0.43 0.38 115.31 119.03 2dbm h LEU 13 Ca -0.26 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.52 2dbm h LEU 13 Cb 1.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2dbm h LEU 13 CO 0.85 0.00 -0.00 -0.31 0.09 0.00 0.00 178.44 179.07 2dbm s TYR 14 N -3.42 0.74 0.03 1.13 1.51 -1.24 -4.75 117.35 111.35 2dbm s TYR 14 Ca 0.04 -1.14 -0.05 0.00 -1.01 0.00 0.00 57.07 54.91 2dbm s TYR 14 Cb 0.09 0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 42.17 2dbm s TYR 14 CO 0.52 -1.33 0.27 -0.51 -1.11 0.00 0.00 175.55 173.39 2dbm s ASP 15 N -3.19 6.46 -0.04 2.29 1.11 -1.26 -3.66 116.67 118.39 2dbm s ASP 15 Ca 0.25 0.50 -0.02 0.00 0.18 0.00 0.00 52.55 53.46 2dbm s ASP 15 Cb -0.02 -2.06 0.03 0.00 1.07 0.00 0.00 42.92 41.93 2dbm s ASP 15 CO 0.18 0.21 0.09 0.12 1.18 0.00 0.00 175.17 176.94 2dbm s PHE 16 N -1.39 -0.07 -0.06 4.23 5.36 -0.62 -4.98 117.98 120.45 2dbm s PHE 16 Ca 0.31 0.29 -0.09 0.00 -0.96 0.00 0.00 56.93 56.48 2dbm s PHE 16 Cb -0.13 -0.13 -0.05 0.00 -0.34 0.00 0.00 43.02 42.38 2dbm s PHE 16 CO 0.19 -0.11 0.25 -1.83 -1.46 0.00 0.00 175.22 172.25 2dbm s GLU 17 N 0.95 3.61 0.47 10.12 -1.05 -1.26 -1.99 118.70 129.55 2dbm s GLU 17 Ca -0.08 0.05 -0.22 0.00 -0.15 0.00 0.00 54.97 54.58 2dbm s GLU 17 Cb -0.10 -3.18 -0.07 0.00 -0.44 0.00 0.00 34.13 30.33 2dbm s GLU 17 CO -0.04 0.73 1.16 -1.25 0.95 0.00 0.00 175.26 176.81 2dbm s PRO 18 N -1.15 3.69 0.00 -4.83 0.04 -1.26 -4.87 135.00 126.62 2dbm s PRO 18 Ca 0.20 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2dbm s PRO 18 Cb -0.14 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2dbm s PRO 18 CO 0.09 -0.60 0.00 0.39 0.04 0.00 0.00 177.00 176.92 2dbm n GLU 19 N -0.63 1.05 -4.36 4.56 1.02 -1.26 -5.03 120.64 115.98 2dbm n GLU 19 Ca 0.08 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 2dbm n GLU 19 Cb 0.49 -0.84 -0.10 0.00 -0.02 0.00 0.00 31.44 30.96 2dbm n GLU 19 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2dbm s ASN 20 N -3.19 2.55 0.59 1.62 0.01 -1.26 -5.02 114.94 110.24 2dbm s ASN 20 Ca 0.00 -1.07 0.28 0.00 -0.71 0.00 0.00 52.86 51.36 2dbm s ASN 20 Cb 0.00 -0.13 1.60 0.00 0.41 0.00 0.00 41.25 43.13 2dbm s ASN 20 CO 0.00 -0.24 2.05 -0.08 -1.51 0.00 0.00 177.10 177.33 2dbm h GLU 21 N 2.49 0.00 -1.72 -0.60 4.57 -2.03 -2.03 114.58 115.26 2dbm h GLU 21 Ca -0.38 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.23 2dbm h GLU 21 Cb 1.22 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.60 2dbm h GLU 21 CO 0.63 0.00 0.65 0.41 -1.18 0.00 0.00 179.01 179.53 2dbm n GLY 22 N -1.44 4.87 3.31 1.92 0.00 -1.26 -4.86 105.19 107.73 2dbm n GLY 22 Ca 0.03 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 2dbm n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dbm s GLU 23 N -2.71 0.43 -0.42 1.61 2.02 -0.76 -4.48 118.70 114.38 2dbm s GLU 23 Ca 0.53 0.81 -0.08 0.00 0.02 0.00 0.00 54.97 56.25 2dbm s GLU 23 Cb 0.39 0.01 0.09 0.00 0.10 0.00 0.00 34.13 34.72 2dbm s GLU 23 CO -0.19 -0.15 0.25 -1.17 0.02 0.00 0.00 175.26 174.02 2dbm s LEU 24 N 1.33 5.20 0.33 1.80 2.96 0.41 -4.78 118.68 125.92 2dbm s LEU 24 Ca -0.09 -1.64 -0.29 0.00 -0.22 0.00 0.00 54.13 51.89 2dbm s LEU 24 Cb -0.08 -1.95 -0.11 0.00 0.50 0.00 0.00 46.19 44.55 2dbm s LEU 24 CO -0.12 -0.55 1.55 -0.83 -1.32 0.00 0.00 176.35 175.08 2dbm s GLY 25 N 2.13 2.44 0.42 7.98 0.00 -1.26 -4.71 107.32 114.33 2dbm s GLY 25 Ca 0.04 1.58 0.04 0.00 0.00 0.00 0.00 44.72 46.38 2dbm s GLY 25 CO 0.00 2.44 0.03 -0.11 0.00 0.00 0.00 173.10 175.47 2dbm s PHE 26 N -0.45 2.13 0.37 1.90 -0.12 -0.84 -4.96 117.98 116.01 2dbm s PHE 26 Ca 0.59 -0.88 0.05 0.00 -0.05 0.00 0.00 56.93 56.63 2dbm s PHE 26 Cb -0.47 -1.56 -0.07 0.00 -0.63 0.00 0.00 43.02 40.29 2dbm s PHE 26 CO 0.54 0.21 0.04 0.15 -0.05 0.00 0.00 175.22 176.11 2dbm s LYS 27 N -3.79 1.80 0.21 1.99 1.02 -1.26 -1.58 119.74 118.12 2dbm s LYS 27 Ca 0.25 -2.02 -0.30 0.00 0.02 0.00 0.00 55.97 53.92 2dbm s LYS 27 Cb 0.06 -1.16 -0.09 0.00 -0.52 0.00 0.00 37.83 36.13 2dbm s LYS 27 CO 0.13 -0.16 1.36 -2.00 -0.92 0.00 0.00 175.35 173.76 2dbm s GLU 28 N -3.82 4.34 -1.40 1.68 2.12 -1.24 -2.64 118.70 117.74 2dbm s GLU 28 Ca 0.34 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.82 2dbm s GLU 28 Cb 0.09 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.31 2dbm s GLU 28 CO 0.16 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 2dbm n GLY 29 N 2.36 -0.19 3.60 -1.50 0.00 0.13 -4.94 105.19 104.65 2dbm n GLY 29 Ca 0.07 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2dbm n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dbm s ASP 30 N -2.30 5.51 -0.33 1.61 1.11 -1.08 -4.77 116.67 116.42 2dbm s ASP 30 Ca 0.00 0.03 -0.17 0.00 0.18 0.00 0.00 52.55 52.59 2dbm s ASP 30 Cb 0.00 -1.95 -0.01 0.00 1.07 0.00 0.00 42.92 42.03 2dbm s ASP 30 CO 0.00 0.15 0.44 -0.63 1.18 0.00 0.00 175.17 176.31 2dbm s ILE 31 N 0.54 5.09 -0.33 0.77 1.09 -1.26 0.73 121.20 127.83 2dbm s ILE 31 Ca 0.03 0.32 -0.09 0.00 -1.10 0.00 0.00 60.65 59.81 2dbm s ILE 31 Cb -0.13 -3.87 0.01 0.00 -1.06 0.00 0.00 42.46 37.41 2dbm s ILE 31 CO 0.01 -0.10 0.16 -0.63 -0.10 0.00 0.00 174.94 174.28 2dbm s ILE 32 N 2.22 4.42 0.95 2.92 1.01 0.21 -4.87 121.20 128.06 2dbm s ILE 32 Ca 0.16 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 2dbm s ILE 32 Cb -0.16 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 38.89 2dbm s ILE 32 CO 0.12 -0.06 -0.21 0.41 0.00 0.00 0.00 174.94 175.19 2dbm n THR 33 N 4.95 0.09 -5.05 2.92 -1.04 -1.25 -3.24 114.28 111.67 2dbm n THR 33 Ca -0.13 -0.36 -0.30 0.00 -2.04 0.00 0.00 64.05 61.22 2dbm n THR 33 Cb 0.47 -0.30 -0.17 0.00 -1.82 0.00 0.00 70.33 68.52 2dbm n THR 33 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2dbm s LEU 34 N 3.69 1.97 0.05 -4.42 1.43 0.33 -3.97 118.68 117.76 2dbm s LEU 34 Ca 0.49 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2dbm s LEU 34 Cb -0.21 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.77 2dbm s LEU 34 CO 0.75 0.14 0.00 0.35 0.23 0.00 0.00 176.35 177.82 2dbm n THR 35 N 3.48 0.51 -4.00 5.49 -2.24 0.12 -4.73 114.28 112.92 2dbm n THR 35 Ca -0.20 0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 2dbm n THR 35 Cb 0.53 -1.48 -0.05 0.00 -2.10 0.00 0.00 70.33 67.23 2dbm n THR 35 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2dbm s ASN 36 N -5.41 -0.04 -0.06 3.42 0.01 -0.97 -5.01 114.94 106.88 2dbm s ASN 36 Ca 0.00 -0.96 0.03 0.00 -0.71 0.00 0.00 52.86 51.23 2dbm s ASN 36 Cb 0.00 0.60 0.00 0.00 0.41 0.00 0.00 41.25 42.26 2dbm s ASN 36 CO 0.00 -1.17 -0.16 -1.58 -1.51 0.00 0.00 177.10 172.68 2dbm s GLN 37 N -3.92 1.97 -0.23 -0.60 0.74 -1.26 0.95 119.66 117.31 2dbm s GLN 37 Ca 0.22 -0.58 -0.06 0.00 0.05 0.00 0.00 55.36 54.99 2dbm s GLN 37 Cb -0.01 -1.63 -0.12 0.00 1.10 0.00 0.00 33.01 32.36 2dbm s GLN 37 CO 0.10 0.15 -0.25 -0.89 -0.55 0.00 0.00 175.29 173.85 2dbm n ILE 38 N 3.46 1.26 -3.52 -2.34 -0.00 -1.26 -4.98 119.36 111.97 2dbm n ILE 38 Ca -0.20 -0.39 -0.24 0.00 -0.00 0.00 0.00 62.75 61.93 2dbm n ILE 38 Cb 0.52 -1.58 0.03 0.00 -0.00 0.00 0.00 39.64 38.61 2dbm n ILE 38 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2dbm s ASP 39 N -6.66 4.82 0.03 4.38 1.01 -1.26 -5.02 116.67 113.97 2dbm s ASP 39 Ca -0.31 -1.09 0.26 0.00 0.71 0.00 0.00 52.55 52.11 2dbm s ASP 39 Cb 0.10 0.41 0.65 0.00 1.01 0.00 0.00 42.92 45.10 2dbm s ASP 39 CO 0.45 -1.24 1.53 -0.62 0.21 0.00 0.00 175.17 175.50 2dbm n GLU 40 N -1.99 0.06 0.00 8.23 1.02 -1.26 -3.87 120.64 122.83 2dbm n GLU 40 Ca 0.06 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2dbm n GLU 40 Cb 0.63 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 2dbm n GLU 40 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2dbm n ASN 41 N -1.64 0.77 -4.53 1.62 3.02 -1.26 -5.00 115.26 108.25 2dbm n ASN 41 Ca 0.05 -1.23 -0.25 0.00 -0.03 0.00 0.00 54.58 53.12 2dbm n ASN 41 Cb 0.36 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.42 2dbm n ASN 41 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2dbm s TRP 42 N -0.23 2.30 0.34 3.10 0.52 -1.25 0.78 118.94 124.51 2dbm s TRP 42 Ca 0.00 -0.59 0.08 0.00 0.02 0.00 0.00 56.10 55.60 2dbm s TRP 42 Cb 0.00 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.90 2dbm s TRP 42 CO 0.00 0.47 0.27 0.66 0.02 0.00 0.00 176.95 178.37 2dbm n TYR 43 N -0.77 -0.72 -3.74 -1.98 4.01 -0.21 -4.11 117.16 109.64 2dbm n TYR 43 Ca -0.05 -2.84 -0.26 0.00 -0.16 0.00 0.00 57.90 54.59 2dbm n TYR 43 Cb 0.64 0.27 -0.17 0.00 -0.31 0.00 0.00 39.34 39.77 2dbm n TYR 43 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2dbm s GLU 44 N -3.40 0.63 0.18 -0.72 2.12 0.27 -3.02 118.70 114.76 2dbm s GLU 44 Ca 0.39 -0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.42 2dbm s GLU 44 Cb 0.02 -1.83 0.01 0.00 0.26 0.00 0.00 34.13 32.59 2dbm s GLU 44 CO 0.27 -0.56 0.27 0.41 -0.54 0.00 0.00 175.26 175.12 2dbm n GLY 45 N 5.08 2.44 3.39 -1.50 0.00 -1.20 0.15 105.19 113.55 2dbm n GLY 45 Ca -0.08 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 2dbm n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dbm s MET 46 N -2.35 3.12 -0.12 1.61 -1.94 -1.26 -2.96 119.30 115.40 2dbm s MET 46 Ca 0.14 -0.70 -0.04 0.00 -1.71 0.00 0.00 55.69 53.38 2dbm s MET 46 Cb -0.01 -2.54 0.05 0.00 2.01 0.00 0.00 34.83 34.35 2dbm s MET 46 CO 0.10 0.32 0.10 -1.17 -0.01 0.00 0.00 175.02 174.36 2dbm s LEU 47 N 0.06 0.19 -1.28 -0.03 2.96 0.04 -3.76 118.68 116.85 2dbm s LEU 47 Ca -0.05 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 2dbm s LEU 47 Cb -0.15 -0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.45 2dbm s LEU 47 CO 0.04 -0.30 1.12 1.41 -1.32 0.00 0.00 176.35 177.30 2dbm n HIS 48 N 5.29 -2.72 -1.27 5.38 8.25 -1.26 -1.58 115.22 127.33 2dbm n HIS 48 Ca -0.05 0.96 -0.09 0.00 -0.26 0.00 0.00 57.72 58.27 2dbm n HIS 48 Cb 0.49 -4.81 -0.04 0.00 1.12 0.00 0.00 29.99 26.75 2dbm n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dbm n GLY 49 N -1.91 1.07 3.11 -1.41 0.00 -1.26 -5.00 105.19 99.78 2dbm n GLY 49 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 2dbm n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dbm s HIS 50 N -2.28 2.44 -0.42 1.61 3.76 -0.61 -5.10 115.29 114.68 2dbm s HIS 50 Ca 0.00 -1.28 -0.16 0.00 -0.15 0.00 0.00 55.06 53.46 2dbm s HIS 50 Cb 0.00 -1.70 0.03 0.00 1.11 0.00 0.00 32.58 32.01 2dbm s HIS 50 CO 0.00 -0.63 0.38 0.45 -0.85 0.00 0.00 174.74 174.09 2dbm s SER 51 N 1.06 6.16 0.35 1.40 0.15 -1.26 -0.78 113.70 120.78 2dbm s SER 51 Ca -0.03 -0.84 -0.05 0.00 0.70 0.00 0.00 55.95 55.73 2dbm s SER 51 Cb -0.14 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 2dbm s SER 51 CO -0.06 -0.54 0.54 -0.83 1.20 0.00 0.00 173.24 173.55 2dbm s GLY 52 N 1.86 1.27 0.02 9.45 0.00 -1.15 -5.01 107.32 113.75 2dbm s GLY 52 Ca 0.08 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.43 2dbm s GLY 52 CO 0.11 -0.86 0.14 -1.36 0.00 0.00 0.00 173.10 171.14 2dbm s PHE 53 N -2.91 3.41 0.03 1.90 0.08 -1.26 -3.23 117.98 116.01 2dbm s PHE 53 Ca 0.27 0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.53 2dbm s PHE 53 Cb -0.01 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2dbm s PHE 53 CO 0.19 0.59 0.07 -0.59 -0.10 0.00 0.00 175.22 175.37 2dbm s PHE 54 N -1.34 0.23 0.60 0.36 -0.71 -1.17 -0.45 117.98 115.52 2dbm s PHE 54 Ca 0.28 -0.54 -0.17 0.00 -1.04 0.00 0.00 56.93 55.46 2dbm s PHE 54 Cb -0.12 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.49 2dbm s PHE 54 CO 0.20 -0.34 1.12 -1.25 -1.34 0.00 0.00 175.22 173.61 2dbm s PRO 55 N -2.49 3.06 0.08 1.99 0.04 -1.26 -1.04 135.00 135.37 2dbm s PRO 55 Ca -0.06 1.49 0.22 0.00 0.04 0.00 0.00 61.00 62.70 2dbm s PRO 55 Cb -0.02 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2dbm s PRO 55 CO -0.04 -1.06 0.86 -0.89 0.04 0.00 0.00 177.00 175.91 2dbm n ILE 56 N -1.90 0.28 1.45 0.56 5.41 0.23 -3.96 119.36 121.44 2dbm n ILE 56 Ca 0.11 -0.43 0.11 0.00 1.00 0.00 0.00 62.75 63.54 2dbm n ILE 56 Cb 0.51 -0.05 0.68 0.00 -0.71 0.00 0.00 39.64 40.07 2dbm n ILE 56 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2dbm n ASN 57 N -2.32 0.00 -0.00 4.38 2.85 -1.26 -2.55 115.26 116.36 2dbm n ASN 57 Ca -0.01 -0.73 0.02 0.00 -0.11 0.00 0.00 54.58 53.75 2dbm n ASN 57 Cb 0.52 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.51 2dbm n ASN 57 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2dbm n TYR 58 N -0.99 0.00 -4.99 1.20 4.01 -1.25 -5.02 117.16 110.12 2dbm n TYR 58 Ca 0.17 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.63 2dbm n TYR 58 Cb 0.08 -0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 38.88 2dbm n TYR 58 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2dbm s VAL 59 N -2.10 1.81 -0.10 -0.72 -7.23 -1.06 0.32 120.40 111.33 2dbm s VAL 59 Ca -0.01 -1.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.94 2dbm s VAL 59 Cb 0.03 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.39 2dbm s VAL 59 CO 0.17 0.42 0.35 -0.70 -0.31 0.00 0.00 175.10 175.03 2dbm s GLU 60 N -0.78 4.09 -0.41 4.82 2.56 0.02 -4.78 118.70 124.23 2dbm s GLU 60 Ca 0.09 0.25 -0.24 0.00 0.00 0.00 0.00 54.97 55.07 2dbm s GLU 60 Cb -0.09 -3.34 0.02 0.00 2.00 0.00 0.00 34.13 32.72 2dbm s GLU 60 CO 0.00 0.42 0.83 0.42 -0.56 0.00 0.00 175.26 176.37 2dbm s ILE 61 N -0.15 4.64 -0.14 -3.70 -1.09 -1.26 -2.79 121.20 116.71 2dbm s ILE 61 Ca 0.21 0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 59.33 2dbm s ILE 61 Cb -0.15 -4.30 -0.25 0.00 -1.58 0.00 0.00 42.46 36.19 2dbm s ILE 61 CO 0.08 -0.60 0.30 0.18 -1.23 0.00 0.00 174.94 173.67 2dbm n LEU 62 N 6.69 2.59 -4.14 2.97 4.77 -1.21 -4.82 117.00 123.86 2dbm n LEU 62 Ca 0.04 0.20 -0.34 0.00 -0.03 0.00 0.00 56.01 55.89 2dbm n LEU 62 Cb 0.48 -1.09 -0.14 0.00 -2.33 0.00 0.00 43.42 40.34 2dbm n LEU 62 CO 0.58 0.81 -0.41 -0.69 -1.33 0.00 0.00 177.39 176.34 2dbm s VAL 63 N -2.54 2.62 0.20 4.08 1.01 -1.24 -5.04 120.40 119.49 2dbm s VAL 63 Ca -0.24 -1.40 -0.32 0.00 0.00 0.00 0.00 61.98 60.02 2dbm s VAL 63 Cb 0.07 -2.47 -0.11 0.00 0.00 0.00 0.00 36.38 33.86 2dbm s VAL 63 CO 0.74 0.00 1.69 0.00 0.00 0.00 0.00 175.10 177.53 2dbm s ALA 64 N 1.21 3.90 0.87 5.51 0.00 -1.26 -4.32 121.76 127.68 2dbm s ALA 64 Ca -0.05 1.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.30 2dbm s ALA 64 Cb -0.19 -3.68 -0.02 0.00 0.00 0.00 0.00 23.12 19.23 2dbm s ALA 64 CO -0.04 -0.90 0.24 1.28 0.00 0.00 0.00 175.76 176.34 2dbm n LEU 65 N 4.02 -0.92 0.00 0.00 4.77 -1.26 -4.81 117.00 118.81 2dbm n LEU 65 Ca 0.15 0.40 0.08 0.00 -0.03 0.00 0.00 56.01 56.61 2dbm n LEU 65 Cb 0.36 -1.13 0.45 0.00 -2.33 0.00 0.00 43.42 40.77 2dbm n LEU 65 CO 0.63 -3.89 0.67 -0.81 -1.33 0.00 0.00 177.39 172.67 2dbm n PRO 66 N -0.63 0.46 -5.24 3.23 -0.04 -1.26 -4.65 135.00 126.87 2dbm n PRO 66 Ca 0.06 0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.23 2dbm n PRO 66 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 2dbm n PRO 66 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2dbm s HIS 67 N -2.06 2.43 -0.06 0.54 5.65 -1.26 -5.12 115.29 115.41 2dbm s HIS 67 Ca 0.22 -0.60 -0.17 0.00 0.25 0.00 0.00 55.06 54.77 2dbm s HIS 67 Cb 0.11 -1.58 -0.05 0.00 -1.18 0.00 0.00 32.58 29.88 2dbm s HIS 67 CO 0.19 -0.13 0.45 0.45 -0.65 0.00 0.00 174.74 175.04 2dbm s SER 68 N -0.33 6.75 0.00 9.88 0.15 -1.26 -5.04 113.70 123.85 2dbm s SER 68 Ca 0.01 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2dbm s SER 68 Cb -0.12 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2dbm s SER 68 CO 0.02 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2dbm n GLY 69 N 2.59 3.07 3.67 9.45 0.00 -1.26 -5.13 105.19 117.57 2dbm n GLY 69 Ca -0.10 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 2dbm n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbm s PRO 70 N 1.00 4.21 0.34 1.61 0.04 -1.26 -4.97 135.00 135.98 2dbm s PRO 70 Ca 0.00 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 2dbm s PRO 70 Cb 0.00 -3.84 0.06 0.00 0.04 0.00 0.00 34.50 30.76 2dbm s PRO 70 CO 0.00 -0.75 0.79 -1.13 0.04 0.00 0.00 177.00 175.95 2dbm n SER 71 N 6.61 -2.08 -4.08 6.66 3.41 -1.26 -5.09 113.62 117.79 2dbm n SER 71 Ca 0.15 -2.38 -0.32 0.00 -0.26 0.00 0.00 58.87 56.06 2dbm n SER 71 Cb 0.43 3.45 -0.16 0.00 -0.26 0.00 0.00 64.21 67.68 2dbm n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dbm s SER 72 N -3.02 3.39 0.00 4.04 0.15 -1.26 -5.31 113.70 111.69 2dbm s SER 72 Ca 0.16 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2dbm s SER 72 Cb -0.04 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.85 2dbm s SER 72 CO 0.10 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.08