#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbm n SER 2 N 0.00 7.32 -3.22 1.61 2.88 -1.26 -4.45 113.62 116.50 2dbm n SER 2 Ca 0.00 -3.34 0.04 0.00 -1.33 0.00 0.00 58.87 54.24 2dbm n SER 2 Cb 0.00 -1.25 -0.02 0.00 -0.75 0.00 0.00 64.21 62.19 2dbm n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbm s SER 3 N -0.08 -1.10 0.00 -3.46 0.01 -1.26 -4.94 113.70 102.87 2dbm s SER 3 Ca 0.53 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2dbm s SER 3 Cb 0.29 1.97 0.00 0.00 0.21 0.00 0.00 66.02 68.49 2dbm s SER 3 CO -0.19 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2dbm n GLY 4 N 5.42 2.43 0.06 3.44 0.00 -1.26 -4.79 105.19 110.48 2dbm n GLY 4 Ca -0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 2dbm n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dbm h SER 5 N 0.00 0.00 -3.98 1.61 0.02 -1.96 -3.46 113.55 105.77 2dbm h SER 5 Ca 0.00 -0.10 -0.49 0.00 -0.84 0.00 0.00 61.79 60.36 2dbm h SER 5 Cb 0.00 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.58 2dbm h SER 5 CO 0.00 0.71 0.44 -0.55 -1.14 0.00 0.00 176.83 176.29 2dbm s SER 6 N -5.76 6.53 0.00 3.07 0.15 -1.26 -5.00 113.70 111.44 2dbm s SER 6 Ca -0.09 2.15 0.00 0.00 0.70 0.00 0.00 55.95 58.70 2dbm s SER 6 Cb 0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2dbm s SER 6 CO 0.18 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2dbm n GLY 7 N 0.38 2.02 3.60 9.45 0.00 -1.26 -4.07 105.19 115.31 2dbm n GLY 7 Ca 0.06 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 1.29 3.42 0.04 1.61 0.04 -1.26 -4.87 135.00 135.28 2dbm s PRO 8 Ca 0.00 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 2dbm s PRO 8 Cb 0.00 -4.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.36 2dbm s PRO 8 CO 0.00 -1.75 -0.01 0.00 0.04 0.00 0.00 177.00 175.28 2dbm s ARG 11 N -2.42 2.74 -0.02 0.00 3.52 -1.02 -2.80 118.95 118.95 2dbm s ARG 11 Ca 0.02 -0.68 -0.18 0.00 -0.13 0.00 0.00 55.73 54.76 2dbm s ARG 11 Cb -0.05 -2.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.64 2dbm s ARG 11 CO 0.01 0.59 0.51 0.00 -0.81 0.00 0.00 175.30 175.60 2dbm s ALA 12 N -1.19 3.56 -0.13 6.12 0.00 -1.09 -1.04 121.76 127.98 2dbm s ALA 12 Ca 0.22 -0.09 0.17 0.00 0.00 0.00 0.00 51.96 52.26 2dbm s ALA 12 Cb -0.12 -2.61 -0.24 0.00 0.00 0.00 0.00 23.12 20.16 2dbm s ALA 12 CO 0.14 0.25 0.36 1.28 0.00 0.00 0.00 175.76 177.79 2dbm n LEU 13 N 2.56 0.36 -4.22 0.00 4.77 0.26 -1.06 117.00 119.67 2dbm n LEU 13 Ca -0.09 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 2dbm n LEU 13 Cb 0.51 0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.85 2dbm n LEU 13 CO 0.41 0.39 -0.02 -0.31 -1.33 0.00 0.00 177.39 176.53 2dbm s TYR 14 N -2.65 1.54 0.06 -1.77 1.51 -1.25 -4.79 117.35 110.00 2dbm s TYR 14 Ca -0.07 -1.55 -0.09 0.00 -1.01 0.00 0.00 57.07 54.35 2dbm s TYR 14 Cb 0.07 -0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 41.37 2dbm s TYR 14 CO 0.83 -0.97 0.36 0.16 -1.11 0.00 0.00 175.55 174.82 2dbm s ASP 15 N -3.33 6.59 0.02 2.29 -4.77 -1.26 -3.45 116.67 112.75 2dbm s ASP 15 Ca 0.37 0.71 -0.04 0.00 -3.30 0.00 0.00 52.55 50.29 2dbm s ASP 15 Cb 0.01 -2.15 -0.01 0.00 -1.09 0.00 0.00 42.92 39.69 2dbm s ASP 15 CO 0.26 0.19 0.07 0.12 0.70 0.00 0.00 175.17 176.51 2dbm s PHE 16 N -1.38 0.15 0.01 2.11 5.36 -1.22 -4.99 117.98 118.02 2dbm s PHE 16 Ca 0.32 -0.35 0.03 0.00 -0.96 0.00 0.00 56.93 55.97 2dbm s PHE 16 Cb -0.14 -0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.41 2dbm s PHE 16 CO 0.18 -0.27 -0.09 -1.21 -1.46 0.00 0.00 175.22 172.37 2dbm s GLU 17 N -1.66 0.70 0.16 10.12 0.41 -1.26 -3.36 118.70 123.81 2dbm s GLU 17 Ca -0.13 -0.46 -0.31 0.00 -0.41 0.00 0.00 54.97 53.67 2dbm s GLU 17 Cb -0.07 -0.65 -0.08 0.00 -1.78 0.00 0.00 34.13 31.55 2dbm s GLU 17 CO -0.00 0.17 1.33 -1.25 -0.49 0.00 0.00 175.26 175.01 2dbm s PRO 18 N -0.59 4.37 0.04 0.39 0.04 -1.26 -4.94 135.00 133.03 2dbm s PRO 18 Ca 0.01 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 2dbm s PRO 18 Cb -0.05 -3.22 -0.31 0.00 0.04 0.00 0.00 34.50 30.96 2dbm s PRO 18 CO 0.00 -0.32 1.00 1.49 0.04 0.00 0.00 177.00 179.21 2dbm h GLU 19 N 5.98 0.36 -4.95 4.56 4.81 -1.99 -3.48 114.58 119.87 2dbm h GLU 19 Ca -0.44 -0.62 -0.42 0.00 -0.13 0.00 0.00 59.36 57.76 2dbm h GLU 19 Cb 1.21 0.23 -0.14 0.00 0.63 0.00 0.00 28.75 30.68 2dbm h GLU 19 CO 0.81 1.28 -0.58 -0.80 -0.73 0.00 0.00 179.01 178.99 2dbm s ASN 20 N -7.26 1.69 0.40 1.04 0.01 -1.26 -5.12 114.94 104.44 2dbm s ASN 20 Ca -0.08 -1.49 -0.27 0.00 -0.71 0.00 0.00 52.86 50.31 2dbm s ASN 20 Cb 0.06 0.27 -0.09 0.00 0.41 0.00 0.00 41.25 41.90 2dbm s ASN 20 CO 0.90 -0.81 1.37 -1.83 -1.51 0.00 0.00 177.10 175.22 2dbm s GLU 21 N -3.88 3.99 0.00 -0.60 -1.05 -1.26 -3.11 118.70 112.79 2dbm s GLU 21 Ca 0.35 2.32 0.00 0.00 -0.15 0.00 0.00 54.97 57.49 2dbm s GLU 21 Cb 0.06 -2.83 0.00 0.00 -0.44 0.00 0.00 34.13 30.92 2dbm s GLU 21 CO 0.16 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.25 2dbm n GLY 22 N 0.62 2.91 3.68 -3.83 0.00 -1.26 -5.07 105.19 102.25 2dbm n GLY 22 Ca 0.03 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 1.08 -0.20 1.61 0.41 -1.18 -4.41 118.70 116.01 2dbm s GLU 23 Ca 0.00 1.34 0.01 0.00 -0.41 0.00 0.00 54.97 55.92 2dbm s GLU 23 Cb 0.00 -1.75 0.04 0.00 -1.78 0.00 0.00 34.13 30.64 2dbm s GLU 23 CO 0.00 -2.52 -0.14 -1.17 -0.49 0.00 0.00 175.26 170.94 2dbm s LEU 24 N -6.51 2.42 -0.07 1.80 2.96 -1.25 -4.83 118.68 113.21 2dbm s LEU 24 Ca 0.66 -0.89 -0.22 0.00 -0.22 0.00 0.00 54.13 53.46 2dbm s LEU 24 Cb -0.21 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 2dbm s LEU 24 CO 0.58 -0.10 0.63 -0.83 -1.32 0.00 0.00 176.35 175.31 2dbm s GLY 25 N 1.31 2.57 0.49 7.98 0.00 -1.26 -4.67 107.32 113.75 2dbm s GLY 25 Ca -0.00 0.04 0.05 0.00 0.00 0.00 0.00 44.72 44.81 2dbm s GLY 25 CO -0.09 1.01 0.43 1.97 0.00 0.00 0.00 173.10 176.42 2dbm n PHE 26 N 3.56 -0.99 -4.15 1.90 1.16 -1.21 -5.00 117.46 112.72 2dbm n PHE 26 Ca -0.04 -2.04 -0.16 0.00 -1.87 0.00 0.00 57.45 53.35 2dbm n PHE 26 Cb 0.51 -0.42 -0.11 0.00 -1.61 0.00 0.00 39.48 37.85 2dbm n PHE 26 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2dbm s LYS 27 N -4.07 0.77 0.06 3.97 2.47 -1.26 -3.41 119.74 118.27 2dbm s LYS 27 Ca 0.33 -1.00 -0.32 0.00 -1.56 0.00 0.00 55.97 53.41 2dbm s LYS 27 Cb -0.03 -0.60 -0.11 0.00 -1.46 0.00 0.00 37.83 35.64 2dbm s LYS 27 CO 0.21 0.11 1.85 -1.91 0.16 0.00 0.00 175.35 175.77 2dbm n GLU 28 N 1.00 2.60 0.00 4.03 2.13 -1.22 -1.66 120.64 127.52 2dbm n GLU 28 Ca -0.19 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.58 2dbm n GLU 28 Cb 0.56 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.44 2dbm n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dbm n GLY 29 N 4.24 2.25 3.58 8.31 0.00 -0.22 -4.96 105.19 118.39 2dbm n GLY 29 Ca 0.19 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2dbm n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dbm n ASP 30 N 1.22 0.88 -4.64 1.61 9.92 -0.66 -4.25 116.55 120.62 2dbm n ASP 30 Ca 0.00 1.00 -0.36 0.00 -0.53 0.00 0.00 54.79 54.90 2dbm n ASP 30 Cb 0.00 -1.31 -0.10 0.00 -0.64 0.00 0.00 41.12 39.07 2dbm n ASP 30 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2dbm s ILE 31 N -1.31 5.23 -0.34 0.53 -1.09 -1.26 -2.69 121.20 120.27 2dbm s ILE 31 Ca 0.64 0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 59.08 2dbm s ILE 31 Cb -0.56 -3.43 -0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2dbm s ILE 31 CO 0.56 0.36 0.20 -0.63 -1.23 0.00 0.00 174.94 174.20 2dbm s ILE 32 N 1.02 4.82 0.61 2.92 1.09 -1.12 -4.99 121.20 125.55 2dbm s ILE 32 Ca 0.07 -0.47 -0.18 0.00 -1.10 0.00 0.00 60.65 58.97 2dbm s ILE 32 Cb -0.13 -3.52 -0.06 0.00 -1.06 0.00 0.00 42.46 37.68 2dbm s ILE 32 CO 0.04 -0.04 0.65 0.41 -0.10 0.00 0.00 174.94 175.90 2dbm n THR 33 N 5.03 2.60 -5.08 2.92 -1.04 -1.26 -3.75 114.28 113.70 2dbm n THR 33 Ca -0.13 -0.48 -0.32 0.00 -2.04 0.00 0.00 64.05 61.08 2dbm n THR 33 Cb 0.48 -0.82 -0.16 0.00 -1.82 0.00 0.00 70.33 68.01 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 -0.29 2.29 0.06 -4.42 1.43 -1.15 -3.93 118.68 112.69 2dbm s LEU 34 Ca 0.70 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2dbm s LEU 34 Cb -0.42 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.33 2dbm s LEU 34 CO 0.53 0.17 0.00 0.35 0.23 0.00 0.00 176.35 177.63 2dbm n THR 35 N 3.46 0.54 -3.97 5.49 -2.24 -0.22 -4.82 114.28 112.51 2dbm n THR 35 Ca -0.19 0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 2dbm n THR 35 Cb 0.53 -1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 67.32 2dbm n THR 35 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2dbm s ASN 36 N -5.43 0.15 -0.04 3.42 3.84 -1.22 -5.02 114.94 110.63 2dbm s ASN 36 Ca 0.00 -1.06 0.06 0.00 0.21 0.00 0.00 52.86 52.07 2dbm s ASN 36 Cb 0.00 0.67 -0.01 0.00 -0.55 0.00 0.00 41.25 41.36 2dbm s ASN 36 CO 0.00 -1.31 -0.22 -1.58 -2.79 0.00 0.00 177.10 171.20 2dbm s GLN 37 N -3.45 2.09 -0.16 0.43 0.74 -1.26 0.71 119.66 118.76 2dbm s GLN 37 Ca 0.22 -0.78 -0.04 0.00 0.05 0.00 0.00 55.36 54.81 2dbm s GLN 37 Cb -0.02 -1.85 -0.09 0.00 1.10 0.00 0.00 33.01 32.15 2dbm s GLN 37 CO 0.12 0.37 -0.18 -0.89 -0.55 0.00 0.00 175.29 174.16 2dbm n ILE 38 N 2.88 0.91 -3.43 -2.34 -0.00 -1.25 -4.96 119.36 111.17 2dbm n ILE 38 Ca -0.17 -0.29 -0.18 0.00 -0.00 0.00 0.00 62.75 62.11 2dbm n ILE 38 Cb 0.52 -1.39 0.03 0.00 -0.00 0.00 0.00 39.64 38.80 2dbm n ILE 38 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2dbm n ASP 39 N -3.36 2.08 0.13 4.38 2.03 -1.24 -5.02 116.55 115.55 2dbm n ASP 39 Ca -0.30 -2.39 0.12 0.00 0.52 0.00 0.00 54.79 52.73 2dbm n ASP 39 Cb 0.76 -0.19 0.10 0.00 -0.72 0.00 0.00 41.12 41.08 2dbm n ASP 39 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2dbm h GLU 40 N 0.00 0.00 0.00 -0.67 5.08 -2.02 -3.34 114.58 113.63 2dbm h GLU 40 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2dbm h GLU 40 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2dbm h GLU 40 CO 0.38 0.00 -0.08 0.09 -1.00 0.00 0.00 179.01 178.40 2dbm n ASN 41 N -2.69 1.17 -4.22 1.42 3.02 -1.26 -5.05 115.26 107.65 2dbm n ASN 41 Ca 0.02 -1.92 -0.24 0.00 -0.03 0.00 0.00 54.58 52.42 2dbm n ASN 41 Cb 0.52 -0.11 -0.14 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.91 1.62 0.20 3.10 0.52 -1.25 -1.53 118.94 120.68 2dbm s TRP 42 Ca 0.06 -0.37 0.09 0.00 0.02 0.00 0.00 56.10 55.91 2dbm s TRP 42 Cb 0.05 -0.96 -0.04 0.00 -1.15 0.00 0.00 33.47 31.37 2dbm s TRP 42 CO 0.01 0.08 -0.18 0.71 0.02 0.00 0.00 176.95 177.58 2dbm s TYR 43 N -0.82 1.93 -0.09 -1.98 2.02 -0.67 -3.66 117.35 114.08 2dbm s TYR 43 Ca 0.05 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.28 2dbm s TYR 43 Cb -0.08 -0.92 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 2dbm s TYR 43 CO 0.02 0.43 0.00 -2.00 -1.57 0.00 0.00 175.55 172.42 2dbm s GLU 44 N -3.12 3.07 0.30 -0.62 2.12 0.22 -2.11 118.70 118.56 2dbm s GLU 44 Ca 0.21 -0.41 -0.16 0.00 0.36 0.00 0.00 54.97 54.96 2dbm s GLU 44 Cb -0.05 -2.82 0.06 0.00 0.26 0.00 0.00 34.13 31.59 2dbm s GLU 44 CO 0.09 0.65 0.82 0.41 -0.54 0.00 0.00 175.26 176.68 2dbm n GLY 45 N 2.30 0.91 3.01 -1.50 0.00 -1.21 -1.06 105.19 107.64 2dbm n GLY 45 Ca -0.18 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.07 2.10 -0.03 1.61 -1.94 -1.25 -3.44 119.30 114.27 2dbm s MET 46 Ca 0.17 -0.91 0.02 0.00 -1.71 0.00 0.00 55.69 53.26 2dbm s MET 46 Cb -0.04 -2.49 0.01 0.00 2.01 0.00 0.00 34.83 34.32 2dbm s MET 46 CO 0.09 -0.44 -0.06 -1.17 -0.01 0.00 0.00 175.02 173.43 2dbm s LEU 47 N 1.35 1.59 -1.55 -0.03 2.96 -0.14 -4.31 118.68 118.54 2dbm s LEU 47 Ca -0.02 -0.14 -0.13 0.00 -0.22 0.00 0.00 54.13 53.62 2dbm s LEU 47 Cb -0.17 -0.45 0.09 0.00 0.50 0.00 0.00 46.19 46.16 2dbm s LEU 47 CO -0.08 0.00 0.86 1.41 -1.32 0.00 0.00 176.35 177.22 2dbm n HIS 48 N 3.63 -2.06 -1.75 5.38 8.25 -1.26 0.22 115.22 127.63 2dbm n HIS 48 Ca -0.21 0.86 -0.18 0.00 -0.26 0.00 0.00 57.72 57.92 2dbm n HIS 48 Cb 0.53 -3.71 -0.06 0.00 1.12 0.00 0.00 29.99 27.87 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 -1.63 1.19 3.15 -1.41 0.00 -1.26 -4.98 105.19 100.25 2dbm n GLY 49 Ca -0.01 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.74 2.03 -0.38 1.61 3.76 0.13 -5.11 115.29 114.60 2dbm s HIS 50 Ca 0.00 -0.74 -0.06 0.00 -0.15 0.00 0.00 55.06 54.11 2dbm s HIS 50 Cb 0.00 -1.38 0.07 0.00 1.11 0.00 0.00 32.58 32.38 2dbm s HIS 50 CO 0.00 -0.30 0.18 -1.54 -0.85 0.00 0.00 174.74 172.23 2dbm s SER 51 N 0.32 5.37 0.34 1.40 1.04 -1.26 -0.97 113.70 119.94 2dbm s SER 51 Ca -0.13 -1.52 0.02 0.00 0.48 0.00 0.00 55.95 54.80 2dbm s SER 51 Cb -0.15 -1.89 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 2dbm s SER 51 CO 0.05 -0.46 0.40 0.61 0.98 0.00 0.00 173.24 174.82 2dbm n GLY 52 N 4.78 2.45 3.64 7.32 0.00 -1.22 -4.96 105.19 117.19 2dbm n GLY 52 Ca -0.09 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 2dbm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dbm s PHE 53 N -3.10 3.20 0.16 1.61 0.08 -1.26 -3.35 117.98 115.33 2dbm s PHE 53 Ca 0.33 0.06 0.10 0.00 0.12 0.00 0.00 56.93 57.54 2dbm s PHE 53 Cb 0.00 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2dbm s PHE 53 CO 0.23 0.24 -0.21 -0.59 -0.10 0.00 0.00 175.22 174.79 2dbm s PHE 54 N -0.08 2.03 0.62 0.36 -0.71 -0.90 -3.85 117.98 115.46 2dbm s PHE 54 Ca 0.05 -0.41 -0.16 0.00 -1.04 0.00 0.00 56.93 55.36 2dbm s PHE 54 Cb -0.12 -1.03 -0.02 0.00 -1.21 0.00 0.00 43.02 40.64 2dbm s PHE 54 CO 0.02 0.38 1.12 -1.25 -1.34 0.00 0.00 175.22 174.14 2dbm s PRO 55 N -2.56 2.98 0.05 1.99 0.04 -1.26 -1.66 135.00 134.57 2dbm s PRO 55 Ca 0.16 1.46 0.20 0.00 0.04 0.00 0.00 61.00 62.86 2dbm s PRO 55 Cb -0.07 -1.97 -0.16 0.00 0.04 0.00 0.00 34.50 32.33 2dbm s PRO 55 CO 0.07 -1.12 0.71 -0.89 0.04 0.00 0.00 177.00 175.81 2dbm n ILE 56 N -2.07 0.76 0.22 0.56 5.41 -0.58 -3.82 119.36 119.84 2dbm n ILE 56 Ca 0.11 -0.62 0.09 0.00 1.00 0.00 0.00 62.75 63.32 2dbm n ILE 56 Cb 0.52 -0.41 0.43 0.00 -0.71 0.00 0.00 39.64 39.46 2dbm n ILE 56 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2dbm n ASN 57 N -2.66 0.44 -0.09 4.38 6.94 -1.26 -1.98 115.26 121.03 2dbm n ASN 57 Ca -0.08 0.67 -0.10 0.00 -0.02 0.00 0.00 54.58 55.05 2dbm n ASN 57 Cb 0.73 -0.74 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 2dbm n ASN 57 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2dbm n TYR 58 N -2.05 0.00 -4.84 -2.53 4.01 -1.26 -4.95 117.16 105.54 2dbm n TYR 58 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 2dbm n TYR 58 Cb 0.09 -0.83 -0.14 0.00 -0.31 0.00 0.00 39.34 38.15 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 -2.41 2.99 0.07 -0.72 -7.23 -0.84 -0.57 120.40 111.69 2dbm s VAL 59 Ca -0.12 -0.70 -0.18 0.00 -1.81 0.00 0.00 61.98 59.16 2dbm s VAL 59 Cb 0.05 -2.22 -0.07 0.00 0.56 0.00 0.00 36.38 34.71 2dbm s VAL 59 CO 0.65 0.55 0.55 -0.70 -0.31 0.00 0.00 175.10 175.83 2dbm s GLU 60 N 0.02 4.14 -0.25 4.82 -6.30 -0.21 -4.64 118.70 116.28 2dbm s GLU 60 Ca -0.04 0.67 -0.18 0.00 -2.50 0.00 0.00 54.97 52.92 2dbm s GLU 60 Cb -0.14 -3.20 -0.03 0.00 0.00 0.00 0.00 34.13 30.76 2dbm s GLU 60 CO 0.04 0.63 0.50 0.42 0.02 0.00 0.00 175.26 176.87 2dbm s ILE 61 N -1.15 5.09 -0.24 -3.70 -1.09 -1.26 -2.44 121.20 116.41 2dbm s ILE 61 Ca 0.29 0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 59.56 2dbm s ILE 61 Cb -0.19 -3.81 -0.18 0.00 -1.58 0.00 0.00 42.46 36.70 2dbm s ILE 61 CO 0.18 0.11 -0.16 0.18 -1.23 0.00 0.00 174.94 174.02 2dbm n LEU 62 N 5.41 2.83 -4.14 2.97 4.77 -1.24 -4.87 117.00 122.73 2dbm n LEU 62 Ca -0.05 -0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.55 2dbm n LEU 62 Cb 0.50 -0.93 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 2dbm n LEU 62 CO 0.40 0.89 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.26 2dbm s VAL 63 N -2.52 2.67 0.02 4.08 1.01 -1.25 -5.05 120.40 119.36 2dbm s VAL 63 Ca -0.34 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 2dbm s VAL 63 Cb 0.09 -2.52 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 2dbm s VAL 63 CO 0.61 -0.03 1.89 0.00 0.00 0.00 0.00 175.10 177.57 2dbm s ALA 64 N 1.21 3.60 0.72 5.51 0.00 -1.26 -4.40 121.76 127.15 2dbm s ALA 64 Ca -0.06 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.99 2dbm s ALA 64 Cb -0.19 -3.82 -0.07 0.00 0.00 0.00 0.00 23.12 19.04 2dbm s ALA 64 CO -0.03 -1.51 0.24 1.28 0.00 0.00 0.00 175.76 175.74 2dbm n LEU 65 N 7.30 -0.89 -4.55 0.00 4.77 -1.26 -4.79 117.00 117.58 2dbm n LEU 65 Ca 0.19 0.54 -0.39 0.00 -0.03 0.00 0.00 56.01 56.33 2dbm n LEU 65 Cb 0.41 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 2dbm n LEU 65 CO 0.66 -3.81 1.61 -2.16 -1.33 0.00 0.00 177.39 172.37 2dbm s PRO 66 N -2.37 2.63 0.17 3.23 0.04 -1.26 -4.98 135.00 132.47 2dbm s PRO 66 Ca 0.60 0.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 2dbm s PRO 66 Cb -0.35 -4.39 -0.07 0.00 0.04 0.00 0.00 34.50 29.73 2dbm s PRO 66 CO 0.63 -2.72 0.57 -1.01 0.04 0.00 0.00 177.00 174.50 2dbm s HIS 67 N 9.06 3.56 0.13 0.56 3.76 -1.26 -5.09 115.29 126.00 2dbm s HIS 67 Ca 0.67 1.05 0.07 0.00 -0.15 0.00 0.00 55.06 56.70 2dbm s HIS 67 Cb -0.13 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 2dbm s HIS 67 CO 0.21 0.38 -0.06 0.45 -0.85 0.00 0.00 174.74 174.86 2dbm s SER 68 N -1.87 4.55 -0.33 1.40 0.15 -1.26 -4.86 113.70 111.49 2dbm s SER 68 Ca 0.41 -0.38 -0.10 0.00 0.70 0.00 0.00 55.95 56.57 2dbm s SER 68 Cb -0.14 -0.91 0.01 0.00 -1.71 0.00 0.00 66.02 63.27 2dbm s SER 68 CO 0.20 0.15 0.38 0.61 1.20 0.00 0.00 173.24 175.77 2dbm n GLY 69 N 0.43 -1.85 3.55 9.45 0.00 -1.26 -4.85 105.19 110.67 2dbm n GLY 69 Ca -0.12 0.86 -0.33 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.09 2.59 0.13 1.61 0.04 -1.26 -4.96 135.00 131.06 2dbm s PRO 70 Ca 0.16 0.21 0.11 0.00 0.04 0.00 0.00 61.00 61.52 2dbm s PRO 70 Cb -0.04 -4.69 -0.04 0.00 0.04 0.00 0.00 34.50 29.77 2dbm s PRO 70 CO 0.63 -3.03 -0.27 -1.12 0.04 0.00 0.00 177.00 173.26 2dbm s SER 71 N 8.09 3.27 0.22 6.66 0.01 -1.26 -5.02 113.70 125.67 2dbm s SER 71 Ca 0.69 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 2dbm s SER 71 Cb -0.10 -0.22 0.50 0.00 0.21 0.00 0.00 66.02 66.41 2dbm s SER 71 CO 0.11 0.17 1.15 -0.24 0.41 0.00 0.00 173.24 174.84 2dbm n SER 72 N 0.90 -0.14 0.00 2.44 2.88 -1.26 -5.23 113.62 113.21 2dbm n SER 72 Ca -0.18 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 2dbm n SER 72 Cb 0.53 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2dbm n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42