#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 -0.40 -2.89 1.61 4.64 -2.05 -3.40 113.55 111.07 2dbm h SER 2 Ca 0.00 0.07 -0.56 0.00 -0.47 0.00 0.00 61.79 60.83 2dbm h SER 2 Cb 0.00 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2dbm h SER 2 CO 0.00 -0.18 0.89 -0.55 -0.87 0.00 0.00 176.83 176.12 2dbm s SER 3 N -5.06 6.90 0.00 4.97 0.15 -1.26 -4.97 113.70 114.43 2dbm s SER 3 Ca -0.14 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2dbm s SER 3 Cb 0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2dbm s SER 3 CO 0.67 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2dbm n GLY 4 N 3.67 5.47 0.13 9.45 0.00 -1.26 -5.08 105.19 117.57 2dbm n GLY 4 Ca 0.14 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 2dbm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbm n SER 5 N 0.00 2.06 -0.25 1.61 3.41 -1.26 -4.43 113.62 114.76 2dbm n SER 5 Ca 0.00 0.10 -0.06 0.00 -0.26 0.00 0.00 58.87 58.65 2dbm n SER 5 Cb 0.00 -0.71 -0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2dbm n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dbm h SER 6 N -0.05 -1.36 0.00 4.04 0.87 -1.98 -3.48 113.55 111.59 2dbm h SER 6 Ca -0.49 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2dbm h SER 6 Cb 1.94 0.66 0.00 0.00 -0.44 0.00 0.00 62.40 64.56 2dbm h SER 6 CO -0.01 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 176.59 2dbm n GLY 7 N -1.43 -0.59 3.67 5.77 0.00 -1.26 -4.98 105.19 106.37 2dbm n GLY 7 Ca 0.05 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 0.00 4.22 0.22 1.61 0.04 -1.26 -4.93 135.00 134.90 2dbm s PRO 8 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2dbm s PRO 8 Cb 0.00 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 2dbm s PRO 8 CO 0.00 -0.73 0.14 0.00 0.04 0.00 0.00 177.00 176.45 2dbm s ARG 11 N -3.03 3.28 0.23 0.00 3.52 -0.44 -1.68 118.95 120.84 2dbm s ARG 11 Ca 0.06 -0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 54.70 2dbm s ARG 11 Cb -0.01 -2.62 -0.09 0.00 -1.56 0.00 0.00 34.95 30.67 2dbm s ARG 11 CO -0.02 0.28 0.92 0.00 -0.81 0.00 0.00 175.30 175.68 2dbm s ALA 12 N 0.18 3.35 -0.03 6.12 0.00 0.59 -0.21 121.76 131.76 2dbm s ALA 12 Ca -0.07 0.59 0.18 0.00 0.00 0.00 0.00 51.96 52.65 2dbm s ALA 12 Cb -0.15 -3.18 -0.27 0.00 0.00 0.00 0.00 23.12 19.52 2dbm s ALA 12 CO 0.05 0.22 0.37 1.28 0.00 0.00 0.00 175.76 177.67 2dbm n LEU 13 N 1.53 0.00 -4.00 0.00 4.77 0.99 -0.72 117.00 119.57 2dbm n LEU 13 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2dbm n LEU 13 Cb 0.47 0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2dbm n LEU 13 CO 0.50 0.02 0.21 -0.31 -1.33 0.00 0.00 177.39 176.48 2dbm s TYR 14 N -3.19 0.55 -0.17 -1.77 1.51 -1.25 -4.61 117.35 108.43 2dbm s TYR 14 Ca -0.07 -0.92 -0.14 0.00 -1.01 0.00 0.00 57.07 54.94 2dbm s TYR 14 Cb 0.11 0.19 -0.05 0.00 -0.11 0.00 0.00 41.96 42.10 2dbm s TYR 14 CO 0.73 -1.12 0.29 0.16 -1.11 0.00 0.00 175.55 174.50 2dbm s ASP 15 N -3.09 6.41 -0.04 2.29 -4.77 -1.26 -3.52 116.67 112.68 2dbm s ASP 15 Ca 0.24 0.48 0.06 0.00 -3.30 0.00 0.00 52.55 50.03 2dbm s ASP 15 Cb -0.01 -2.18 -0.01 0.00 -1.09 0.00 0.00 42.92 39.63 2dbm s ASP 15 CO 0.13 0.08 -0.24 0.12 0.70 0.00 0.00 175.17 175.96 2dbm s PHE 16 N 0.59 2.29 -0.10 2.11 5.36 -0.55 -4.96 117.98 122.72 2dbm s PHE 16 Ca 0.16 -0.60 -0.01 0.00 -0.96 0.00 0.00 56.93 55.51 2dbm s PHE 16 Cb -0.13 -1.50 -0.03 0.00 -0.34 0.00 0.00 43.02 41.02 2dbm s PHE 16 CO 0.04 -0.15 -0.04 -1.83 -1.46 0.00 0.00 175.22 171.78 2dbm s GLU 17 N -0.28 3.11 0.56 10.12 -1.05 -1.26 -2.67 118.70 127.23 2dbm s GLU 17 Ca 0.01 -0.50 -0.19 0.00 -0.15 0.00 0.00 54.97 54.14 2dbm s GLU 17 Cb -0.12 -2.75 -0.05 0.00 -0.44 0.00 0.00 34.13 30.77 2dbm s GLU 17 CO 0.02 0.54 1.13 -1.25 0.95 0.00 0.00 175.26 176.65 2dbm s PRO 18 N -0.47 3.28 -0.12 -4.83 0.04 -1.26 -4.97 135.00 126.67 2dbm s PRO 18 Ca 0.07 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.72 2dbm s PRO 18 Cb -0.12 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2dbm s PRO 18 CO 0.02 -0.90 -0.09 -1.91 0.04 0.00 0.00 177.00 174.16 2dbm n GLU 19 N -1.46 0.64 -4.34 4.56 4.07 -1.26 -5.06 120.64 117.79 2dbm n GLU 19 Ca 0.11 0.06 -0.29 0.00 -0.06 0.00 0.00 57.16 56.99 2dbm n GLU 19 Cb 0.51 -1.25 -0.05 0.00 -0.06 0.00 0.00 31.44 30.59 2dbm n GLU 19 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2dbm s ASN 20 N -5.03 4.34 0.28 4.31 0.01 -1.26 -5.10 114.94 112.48 2dbm s ASN 20 Ca -0.15 -1.39 -0.29 0.00 -0.71 0.00 0.00 52.86 50.32 2dbm s ASN 20 Cb 0.04 0.24 -0.10 0.00 0.41 0.00 0.00 41.25 41.84 2dbm s ASN 20 CO 0.30 -0.85 1.17 -0.70 -1.51 0.00 0.00 177.10 175.50 2dbm s GLU 21 N -4.01 4.55 0.00 -0.60 2.12 -1.26 -3.40 118.70 116.09 2dbm s GLU 21 Ca 0.24 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.49 2dbm s GLU 21 Cb 0.01 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2dbm s GLU 21 CO 0.14 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 2dbm n GLY 22 N 1.24 3.08 3.34 -1.50 0.00 -1.26 -5.04 105.19 105.04 2dbm n GLY 22 Ca -0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 2dbm n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dbm n GLU 23 N 0.00 0.18 -3.80 1.61 -0.58 -1.22 -4.69 120.64 112.14 2dbm n GLU 23 Ca 0.00 0.07 -0.36 0.00 -0.42 0.00 0.00 57.16 56.45 2dbm n GLU 23 Cb 0.00 -1.20 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 2dbm n GLU 23 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dbm s LEU 24 N 3.51 4.82 -0.08 -4.62 2.96 -1.25 -4.90 118.68 119.11 2dbm s LEU 24 Ca 0.61 -1.73 -0.30 0.00 -0.22 0.00 0.00 54.13 52.49 2dbm s LEU 24 Cb -0.57 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 2dbm s LEU 24 CO 0.62 -0.45 1.13 -0.83 -1.32 0.00 0.00 176.35 175.49 2dbm s GLY 25 N 1.65 2.16 0.41 7.98 0.00 -1.26 -4.80 107.32 113.47 2dbm s GLY 25 Ca 0.04 0.52 0.08 0.00 0.00 0.00 0.00 44.72 45.35 2dbm s GLY 25 CO -0.02 2.12 0.37 -0.11 0.00 0.00 0.00 173.10 175.45 2dbm s PHE 26 N 2.21 2.73 0.55 1.90 -0.12 -1.09 -4.96 117.98 119.20 2dbm s PHE 26 Ca 0.53 -0.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.97 2dbm s PHE 26 Cb -0.22 -2.13 0.03 0.00 -0.63 0.00 0.00 43.02 40.07 2dbm s PHE 26 CO 0.20 -0.08 0.24 0.21 -0.05 0.00 0.00 175.22 175.74 2dbm s LYS 27 N -4.11 2.23 0.00 1.99 2.20 -1.26 -1.48 119.74 119.32 2dbm s LYS 27 Ca 0.47 -2.24 -0.27 0.00 -0.36 0.00 0.00 55.97 53.58 2dbm s LYS 27 Cb -0.03 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.41 2dbm s LYS 27 CO 0.28 -0.57 0.84 -2.00 -0.36 0.00 0.00 175.35 173.53 2dbm s GLU 28 N -4.14 4.53 -1.09 4.03 2.12 -1.23 -3.55 118.70 119.36 2dbm s GLU 28 Ca 0.19 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.69 2dbm s GLU 28 Cb -0.01 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2dbm s GLU 28 CO 0.12 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 2dbm n GLY 29 N 2.76 0.94 3.84 -1.50 0.00 0.10 -4.94 105.19 106.38 2dbm n GLY 29 Ca 0.01 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.81 6.38 -0.24 1.61 1.11 -1.23 -4.76 116.67 116.73 2dbm s ASP 30 Ca 0.00 0.45 -0.15 0.00 0.18 0.00 0.00 52.55 53.04 2dbm s ASP 30 Cb 0.00 -2.09 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 2dbm s ASP 30 CO 0.00 0.34 0.36 -0.63 1.18 0.00 0.00 175.17 176.41 2dbm s ILE 31 N -0.64 5.21 -0.30 0.77 -1.09 -1.26 -0.30 121.20 123.58 2dbm s ILE 31 Ca 0.14 0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 59.08 2dbm s ILE 31 Cb -0.12 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2dbm s ILE 31 CO 0.03 0.21 0.05 -0.63 -1.23 0.00 0.00 174.94 173.38 2dbm s ILE 32 N 1.68 3.62 0.58 2.92 1.09 -0.68 -4.95 121.20 125.46 2dbm s ILE 32 Ca 0.15 -0.94 -0.19 0.00 -1.10 0.00 0.00 60.65 58.57 2dbm s ILE 32 Cb -0.15 -2.93 -0.05 0.00 -1.06 0.00 0.00 42.46 38.26 2dbm s ILE 32 CO 0.09 0.01 1.00 0.41 -0.10 0.00 0.00 174.94 176.35 2dbm n THR 33 N 4.79 3.59 -4.93 2.92 -1.04 -1.26 -2.68 114.28 115.67 2dbm n THR 33 Ca -0.14 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.04 2dbm n THR 33 Cb 0.46 -1.19 -0.15 0.00 -1.82 0.00 0.00 70.33 67.63 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 -2.01 2.50 0.00 -4.42 1.43 -0.38 -3.19 118.68 112.61 2dbm s LEU 34 Ca 0.74 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2dbm s LEU 34 Cb -0.43 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2dbm s LEU 34 CO 0.48 0.17 0.00 1.07 0.23 0.00 0.00 176.35 178.30 2dbm n THR 35 N 3.51 0.00 -3.80 5.49 5.66 -0.48 -4.60 114.28 120.06 2dbm n THR 35 Ca -0.18 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.75 2dbm n THR 35 Cb 0.53 -0.60 -0.02 0.00 -1.55 0.00 0.00 70.33 68.69 2dbm n THR 35 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2dbm s ASN 36 N -3.73 -0.27 0.01 1.09 -0.87 -1.09 -5.05 114.94 105.02 2dbm s ASN 36 Ca 0.00 -0.52 0.05 0.00 -1.57 0.00 0.00 52.86 50.82 2dbm s ASN 36 Cb 0.00 0.68 -0.01 0.00 -0.02 0.00 0.00 41.25 41.89 2dbm s ASN 36 CO 0.00 -1.24 -0.15 -1.58 -2.57 0.00 0.00 177.10 171.56 2dbm s GLN 37 N -3.80 1.12 -0.12 -0.60 0.74 -1.26 0.99 119.66 116.72 2dbm s GLN 37 Ca 0.10 -0.60 -0.03 0.00 0.05 0.00 0.00 55.36 54.88 2dbm s GLN 37 Cb -0.05 -1.10 -0.06 0.00 1.10 0.00 0.00 33.01 32.90 2dbm s GLN 37 CO 0.04 0.29 -0.14 -0.89 -0.55 0.00 0.00 175.29 174.05 2dbm n ILE 38 N 2.46 0.68 -3.48 -2.34 -0.00 -1.24 -4.92 119.36 110.52 2dbm n ILE 38 Ca -0.15 -0.21 -0.21 0.00 -0.00 0.00 0.00 62.75 62.18 2dbm n ILE 38 Cb 0.55 -1.34 -0.02 0.00 -0.00 0.00 0.00 39.64 38.83 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 -5.70 5.09 0.05 4.38 1.11 -1.20 -5.01 116.67 115.39 2dbm s ASP 39 Ca -0.17 -0.76 0.28 0.00 0.18 0.00 0.00 52.55 52.08 2dbm s ASP 39 Cb 0.06 -0.40 1.08 0.00 1.07 0.00 0.00 42.92 44.73 2dbm s ASP 39 CO 0.24 -0.78 1.86 -1.84 1.18 0.00 0.00 175.17 175.83 2dbm n GLU 40 N -1.67 0.07 0.00 8.23 0.28 -1.26 -3.57 120.64 122.72 2dbm n GLU 40 Ca 0.05 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2dbm n GLU 40 Cb 0.62 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.91 2dbm n GLU 40 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dbm n ASN 41 N -1.69 0.49 -4.33 -1.84 4.13 -1.26 -5.04 115.26 105.72 2dbm n ASN 41 Ca 0.07 -0.93 -0.32 0.00 1.68 0.00 0.00 54.58 55.08 2dbm n ASN 41 Cb 0.36 0.06 -0.15 0.00 -1.54 0.00 0.00 39.78 38.51 2dbm n ASN 41 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2dbm s TRP 42 N -0.06 2.51 0.07 3.10 0.52 -1.23 -1.63 118.94 122.22 2dbm s TRP 42 Ca 0.00 -0.55 0.07 0.00 0.02 0.00 0.00 56.10 55.64 2dbm s TRP 42 Cb 0.00 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 2dbm s TRP 42 CO 0.00 -0.10 -0.17 0.71 0.02 0.00 0.00 176.95 177.41 2dbm s TYR 43 N -0.30 2.58 -0.27 -1.98 2.02 -0.80 -3.26 117.35 115.34 2dbm s TYR 43 Ca 0.01 -0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.36 2dbm s TYR 43 Cb -0.13 -1.43 -0.05 0.00 -0.40 0.00 0.00 41.96 39.96 2dbm s TYR 43 CO 0.02 0.32 0.21 -2.00 -1.57 0.00 0.00 175.55 172.53 2dbm s GLU 44 N -1.74 3.98 0.17 -0.62 2.12 0.28 -2.38 118.70 120.51 2dbm s GLU 44 Ca 0.16 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.26 2dbm s GLU 44 Cb -0.11 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 2dbm s GLU 44 CO 0.08 -0.15 0.16 0.41 -0.54 0.00 0.00 175.26 175.22 2dbm n GLY 45 N 4.87 3.31 2.91 -1.50 0.00 -1.17 -1.38 105.19 112.24 2dbm n GLY 45 Ca -0.13 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.65 1.52 -0.16 1.61 -1.94 -1.19 -3.26 119.30 113.23 2dbm s MET 46 Ca 0.20 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.42 2dbm s MET 46 Cb 0.01 -2.34 0.03 0.00 2.01 0.00 0.00 34.83 34.53 2dbm s MET 46 CO 0.14 -0.53 -0.15 -1.17 -0.01 0.00 0.00 175.02 173.30 2dbm s LEU 47 N 1.52 1.87 -1.44 -0.03 2.96 -0.13 -4.28 118.68 119.14 2dbm s LEU 47 Ca -0.03 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 2dbm s LEU 47 Cb -0.17 -1.25 0.05 0.00 0.50 0.00 0.00 46.19 45.32 2dbm s LEU 47 CO -0.07 -0.06 0.92 1.41 -1.32 0.00 0.00 176.35 177.22 2dbm n HIS 48 N 4.73 -2.23 -1.66 5.38 8.25 -1.26 -0.66 115.22 127.76 2dbm n HIS 48 Ca -0.17 0.90 -0.12 0.00 -0.26 0.00 0.00 57.72 58.06 2dbm n HIS 48 Cb 0.49 -4.22 -0.03 0.00 1.12 0.00 0.00 29.99 27.35 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 -1.68 0.79 3.16 -1.41 0.00 -1.26 -5.00 105.19 99.78 2dbm n GLY 49 Ca -0.07 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.50 2.76 -0.41 1.61 3.76 0.16 -5.09 115.29 115.58 2dbm s HIS 50 Ca 0.00 -1.47 -0.11 0.00 -0.15 0.00 0.00 55.06 53.33 2dbm s HIS 50 Cb 0.00 -1.90 0.06 0.00 1.11 0.00 0.00 32.58 31.85 2dbm s HIS 50 CO 0.00 -0.71 0.27 -1.54 -0.85 0.00 0.00 174.74 171.91 2dbm s SER 51 N 1.13 5.77 0.34 1.40 1.04 -1.26 -0.96 113.70 121.16 2dbm s SER 51 Ca 0.01 -1.31 -0.07 0.00 0.48 0.00 0.00 55.95 55.06 2dbm s SER 51 Cb -0.14 -2.04 0.02 0.00 0.10 0.00 0.00 66.02 63.96 2dbm s SER 51 CO -0.08 -0.51 0.56 -0.83 0.98 0.00 0.00 173.24 173.36 2dbm s GLY 52 N 2.03 1.07 -0.02 7.32 0.00 -1.20 -5.01 107.32 111.50 2dbm s GLY 52 Ca 0.03 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 43.49 2dbm s GLY 52 CO 0.04 -0.77 0.15 -1.36 0.00 0.00 0.00 173.10 171.17 2dbm s PHE 53 N -3.00 3.49 0.05 1.90 0.08 -1.26 -3.03 117.98 116.21 2dbm s PHE 53 Ca 0.25 0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.65 2dbm s PHE 53 Cb -0.02 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 2dbm s PHE 53 CO 0.16 0.63 -0.05 -0.59 -0.10 0.00 0.00 175.22 175.28 2dbm s PHE 54 N -1.25 0.56 0.59 0.36 -0.71 -1.00 -3.84 117.98 112.69 2dbm s PHE 54 Ca 0.24 -0.72 -0.18 0.00 -1.04 0.00 0.00 56.93 55.24 2dbm s PHE 54 Cb -0.12 -0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.29 2dbm s PHE 54 CO 0.15 -0.19 1.12 -1.25 -1.34 0.00 0.00 175.22 173.71 2dbm s PRO 55 N -2.50 3.13 0.01 1.99 0.04 -1.26 -1.90 135.00 134.51 2dbm s PRO 55 Ca -0.04 1.52 0.23 0.00 0.04 0.00 0.00 61.00 62.76 2dbm s PRO 55 Cb -0.03 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 32.65 2dbm s PRO 55 CO -0.03 -1.01 1.13 -0.89 0.04 0.00 0.00 177.00 176.24 2dbm n ILE 56 N -1.74 0.05 1.37 0.56 5.41 -0.64 -3.99 119.36 120.37 2dbm n ILE 56 Ca 0.11 -0.07 0.08 0.00 1.00 0.00 0.00 62.75 63.87 2dbm n ILE 56 Cb 0.51 0.48 0.47 0.00 -0.71 0.00 0.00 39.64 40.40 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 -1.64 0.00 0.00 4.38 2.85 -1.26 -2.83 115.26 116.76 2dbm n ASN 57 Ca 0.04 -0.87 0.00 0.00 -0.11 0.00 0.00 54.58 53.63 2dbm n ASN 57 Cb 0.36 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.38 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 -0.86 0.00 -4.85 1.20 4.01 -1.26 -5.04 117.16 110.36 2dbm n TYR 58 Ca 0.12 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.55 2dbm n TYR 58 Cb 0.05 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.74 2.65 -0.11 -0.72 -7.23 -1.13 -0.00 120.40 112.12 2dbm s VAL 59 Ca 0.00 -1.09 -0.06 0.00 -1.81 0.00 0.00 61.98 59.02 2dbm s VAL 59 Cb 0.00 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2dbm s VAL 59 CO 0.00 0.44 0.11 -0.70 -0.31 0.00 0.00 175.10 174.64 2dbm s GLU 60 N -1.11 3.35 -0.44 4.82 2.56 0.70 -4.72 118.70 123.87 2dbm s GLU 60 Ca 0.13 -0.20 -0.21 0.00 0.00 0.00 0.00 54.97 54.69 2dbm s GLU 60 Cb -0.10 -3.10 0.02 0.00 2.00 0.00 0.00 34.13 32.95 2dbm s GLU 60 CO 0.03 0.75 0.68 0.42 -0.56 0.00 0.00 175.26 176.58 2dbm s ILE 61 N -0.96 4.78 -0.05 -3.70 -1.09 -1.26 -1.32 121.20 117.59 2dbm s ILE 61 Ca 0.14 0.21 -0.13 0.00 -2.23 0.00 0.00 60.65 58.65 2dbm s ILE 61 Cb -0.12 -4.24 -0.31 0.00 -1.58 0.00 0.00 42.46 36.22 2dbm s ILE 61 CO 0.03 -0.63 0.69 -0.07 -1.23 0.00 0.00 174.94 173.74 2dbm h LEU 62 N 9.82 0.60 -8.08 2.97 3.38 -1.95 -3.44 115.31 118.60 2dbm h LEU 62 Ca -0.25 -0.92 -0.68 0.00 0.09 0.00 0.00 57.88 56.11 2dbm h LEU 62 Cb 1.09 -0.19 -0.32 0.00 0.09 0.00 0.00 40.66 41.33 2dbm h LEU 62 CO 0.91 1.73 -0.70 -0.69 0.09 0.00 0.00 178.44 179.78 2dbm s VAL 63 N -2.55 3.04 0.02 1.22 1.01 -1.25 -5.05 120.40 116.83 2dbm s VAL 63 Ca -0.16 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.26 2dbm s VAL 63 Cb 0.05 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 2dbm s VAL 63 CO 0.85 -0.03 1.89 0.00 0.00 0.00 0.00 175.10 177.80 2dbm s ALA 64 N 1.29 3.59 0.81 5.51 0.00 -1.26 -4.42 121.76 127.28 2dbm s ALA 64 Ca -0.04 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 2dbm s ALA 64 Cb -0.19 -3.82 -0.06 0.00 0.00 0.00 0.00 23.12 19.05 2dbm s ALA 64 CO -0.01 -1.52 0.12 1.28 0.00 0.00 0.00 175.76 175.63 2dbm n LEU 65 N 7.39 -1.49 0.00 0.00 4.77 -1.26 -4.79 117.00 121.62 2dbm n LEU 65 Ca 0.19 0.45 0.06 0.00 -0.03 0.00 0.00 56.01 56.68 2dbm n LEU 65 Cb 0.41 -1.07 0.35 0.00 -2.33 0.00 0.00 43.42 40.78 2dbm n LEU 65 CO 0.66 -4.09 0.56 -0.81 -1.33 0.00 0.00 177.39 172.38 2dbm n PRO 66 N 0.02 0.49 -2.66 3.23 -0.04 -1.26 -4.73 135.00 130.04 2dbm n PRO 66 Ca 0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 2dbm n PRO 66 Cb 0.52 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 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 -2.00 3.48 0.08 0.54 2.46 -1.26 -4.96 115.29 113.62 2dbm s HIS 67 Ca 0.17 1.55 -0.31 0.00 0.47 0.00 0.00 55.06 56.95 2dbm s HIS 67 Cb 0.08 -3.21 -0.18 0.00 -0.13 0.00 0.00 32.58 29.14 2dbm s HIS 67 CO 0.13 -0.34 1.65 1.03 -2.47 0.00 0.00 174.74 174.74 2dbm h SER 68 N 7.15 -0.63 0.00 9.88 0.87 -2.01 -3.49 113.55 125.32 2dbm h SER 68 Ca -0.31 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2dbm h SER 68 Cb 1.15 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2dbm h SER 68 CO 0.86 -0.44 0.00 0.61 -0.53 0.00 0.00 176.83 177.33 2dbm n GLY 69 N -1.40 1.60 3.77 5.77 0.00 -1.26 -5.09 105.19 108.57 2dbm n GLY 69 Ca -0.12 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 4.32 0.30 1.61 0.04 -1.26 -5.04 135.00 134.97 2dbm s PRO 70 Ca 0.00 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 62.96 2dbm s PRO 70 Cb 0.00 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2dbm s PRO 70 CO 0.00 -0.14 0.49 0.45 0.04 0.00 0.00 177.00 177.84 2dbm s SER 71 N -0.78 0.34 -0.08 6.66 0.15 -1.26 -5.08 113.70 113.65 2dbm s SER 71 Ca 0.50 -1.20 -0.22 0.00 0.70 0.00 0.00 55.95 55.74 2dbm s SER 71 Cb -0.35 0.63 -0.29 0.00 -1.71 0.00 0.00 66.02 64.30 2dbm s SER 71 CO 0.46 -1.24 0.78 -1.28 1.20 0.00 0.00 173.24 173.15 2dbm h SER 72 N 2.19 0.36 0.00 5.45 0.87 -2.09 -3.56 113.55 116.77 2dbm h SER 72 Ca -0.28 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.36 2dbm h SER 72 Cb 1.25 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2dbm h SER 72 CO 0.38 1.39 0.00 0.61 -0.53 0.00 0.00 176.83 178.68