#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbm s SER 2 N 0.00 7.08 -0.22 1.61 0.15 -1.26 -4.99 113.70 116.07 2dbm s SER 2 Ca 0.00 1.80 -0.22 0.00 0.70 0.00 0.00 55.95 58.23 2dbm s SER 2 Cb 0.00 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.81 2dbm s SER 2 CO 0.00 -0.26 0.62 -0.55 1.20 0.00 0.00 173.24 174.25 2dbm s SER 3 N -1.85 -0.64 -0.96 5.45 0.15 -1.26 -4.99 113.70 109.60 2dbm s SER 3 Ca 0.56 1.21 -0.05 0.00 0.70 0.00 0.00 55.95 58.37 2dbm s SER 3 Cb -0.15 1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 65.33 2dbm s SER 3 CO 0.20 -0.24 0.84 0.61 1.20 0.00 0.00 173.24 175.84 2dbm n GLY 4 N 2.62 -1.18 3.06 9.45 0.00 -1.26 -5.03 105.19 112.85 2dbm n GLY 4 Ca -0.14 0.54 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 2dbm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbm s SER 5 N -3.27 1.89 0.06 1.61 0.01 -1.26 -5.03 113.70 107.71 2dbm s SER 5 Ca 0.31 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.23 2dbm s SER 5 Cb -0.05 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.41 2dbm s SER 5 CO 0.75 0.07 -0.04 -0.24 0.41 0.00 0.00 173.24 174.19 2dbm n SER 6 N 3.59 1.15 -3.01 2.44 2.88 -1.26 -5.08 113.62 114.31 2dbm n SER 6 Ca -0.21 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2dbm n SER 6 Cb 0.52 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2dbm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbm n GLY 7 N 3.22 -2.09 3.76 0.46 0.00 -1.26 -4.97 105.19 104.30 2dbm n GLY 7 Ca -0.02 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.28 4.44 0.03 1.61 0.04 -1.26 -5.02 135.00 133.56 2dbm s PRO 8 Ca 0.00 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 2dbm s PRO 8 Cb 0.00 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 2dbm s PRO 8 CO 0.00 -0.09 0.01 0.00 0.04 0.00 0.00 177.00 176.95 2dbm s ARG 11 N -2.54 2.94 -0.22 0.00 3.52 -0.86 -1.98 118.95 119.81 2dbm s ARG 11 Ca 0.09 -0.48 -0.21 0.00 -0.13 0.00 0.00 55.73 55.01 2dbm s ARG 11 Cb -0.06 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 30.53 2dbm s ARG 11 CO 0.04 0.67 0.63 0.00 -0.81 0.00 0.00 175.30 175.83 2dbm s ALA 12 N -1.00 3.57 0.01 6.12 0.00 -1.00 -0.54 121.76 128.93 2dbm s ALA 12 Ca 0.17 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.85 2dbm s ALA 12 Cb -0.11 -3.00 -0.24 0.00 0.00 0.00 0.00 23.12 19.77 2dbm s ALA 12 CO 0.07 -0.65 0.88 -0.07 0.00 0.00 0.00 175.76 175.99 2dbm h LEU 13 N 8.46 0.15 -9.04 0.00 3.38 -1.76 0.43 115.31 116.94 2dbm h LEU 13 Ca -0.30 -0.23 -0.45 0.00 0.09 0.00 0.00 57.88 57.00 2dbm h LEU 13 Cb 1.14 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 2dbm h LEU 13 CO 0.78 1.19 -0.54 -0.31 0.09 0.00 0.00 178.44 179.65 2dbm s TYR 14 N -2.63 1.65 0.17 1.13 1.51 -1.21 -4.77 117.35 113.20 2dbm s TYR 14 Ca -0.05 -1.41 -0.05 0.00 -1.01 0.00 0.00 57.07 54.55 2dbm s TYR 14 Cb 0.08 -0.88 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 2dbm s TYR 14 CO 0.83 -0.55 0.41 0.16 -1.11 0.00 0.00 175.55 175.28 2dbm s ASP 15 N -3.41 6.48 -0.08 2.29 -4.77 -1.26 -3.46 116.67 112.45 2dbm s ASP 15 Ca 0.35 0.60 0.01 0.00 -3.30 0.00 0.00 52.55 50.20 2dbm s ASP 15 Cb 0.04 -2.09 0.02 0.00 -1.09 0.00 0.00 42.92 39.80 2dbm s ASP 15 CO 0.19 0.00 -0.09 0.12 0.70 0.00 0.00 175.17 176.09 2dbm s PHE 16 N -1.74 1.40 -0.54 2.11 5.36 -1.08 -4.98 117.98 118.52 2dbm s PHE 16 Ca 0.41 -0.59 -0.03 0.00 -0.96 0.00 0.00 56.93 55.76 2dbm s PHE 16 Cb -0.12 -1.10 0.14 0.00 -0.34 0.00 0.00 43.02 41.60 2dbm s PHE 16 CO 0.26 -0.37 0.35 -1.21 -1.46 0.00 0.00 175.22 172.79 2dbm s GLU 17 N 1.15 2.37 0.58 10.12 2.02 -1.26 -3.96 118.70 129.71 2dbm s GLU 17 Ca -0.06 -2.23 -0.18 0.00 0.02 0.00 0.00 54.97 52.53 2dbm s GLU 17 Cb -0.14 -3.70 -0.04 0.00 0.10 0.00 0.00 34.13 30.35 2dbm s GLU 17 CO -0.02 -1.14 1.12 -1.25 0.02 0.00 0.00 175.26 173.99 2dbm s PRO 18 N 0.46 3.19 -0.01 0.39 0.04 -1.26 -4.98 135.00 132.83 2dbm s PRO 18 Ca 0.13 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2dbm s PRO 18 Cb -0.21 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2dbm s PRO 18 CO -0.04 -0.97 -0.01 -1.91 0.04 0.00 0.00 177.00 174.12 2dbm n GLU 19 N -1.64 1.73 -3.85 4.56 2.13 -1.26 -5.04 120.64 117.26 2dbm n GLU 19 Ca 0.11 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.60 2dbm n GLU 19 Cb 0.51 -1.03 -0.05 0.00 0.27 0.00 0.00 31.44 31.15 2dbm n GLU 19 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2dbm s ASN 20 N -3.69 6.41 0.96 4.31 -0.87 -1.26 -5.08 114.94 115.73 2dbm s ASN 20 Ca -0.01 0.42 -0.13 0.00 -1.57 0.00 0.00 52.86 51.57 2dbm s ASN 20 Cb 0.00 -2.03 0.04 0.00 -0.02 0.00 0.00 41.25 39.24 2dbm s ASN 20 CO 0.04 0.25 0.38 -0.62 -2.57 0.00 0.00 177.10 174.57 2dbm n GLU 21 N 0.96 -0.37 0.00 -0.60 4.71 -1.26 -3.22 120.64 120.85 2dbm n GLU 21 Ca -0.11 -0.07 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 2dbm n GLU 21 Cb 0.53 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 2dbm n GLU 21 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dbm n GLY 22 N 1.54 2.02 2.97 0.62 0.00 -1.26 -4.99 105.19 106.09 2dbm n GLY 22 Ca 0.06 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -3.43 1.61 1.02 -1.20 -3.94 120.64 114.70 2dbm n GLU 23 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2dbm n GLU 23 Cb 0.00 -0.96 -0.10 0.00 -0.02 0.00 0.00 31.44 30.36 2dbm n GLU 23 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dbm s LEU 24 N 2.03 5.08 -0.03 -4.62 2.96 -0.44 -4.81 118.68 118.85 2dbm s LEU 24 Ca 0.61 -0.87 -0.28 0.00 -0.22 0.00 0.00 54.13 53.37 2dbm s LEU 24 Cb -0.87 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 2dbm s LEU 24 CO 0.49 -0.48 0.88 -0.83 -1.32 0.00 0.00 176.35 175.09 2dbm s GLY 25 N 1.73 2.80 0.37 7.98 0.00 -1.26 -4.66 107.32 114.29 2dbm s GLY 25 Ca 0.06 0.39 0.08 0.00 0.00 0.00 0.00 44.72 45.26 2dbm s GLY 25 CO 0.11 1.51 -0.03 -0.11 0.00 0.00 0.00 173.10 174.57 2dbm s PHE 26 N 0.95 2.47 -0.01 1.90 -0.12 -1.25 -5.01 117.98 116.90 2dbm s PHE 26 Ca 0.47 -0.57 0.07 0.00 -0.05 0.00 0.00 56.93 56.85 2dbm s PHE 26 Cb -0.20 -1.58 -0.02 0.00 -0.63 0.00 0.00 43.02 40.60 2dbm s PHE 26 CO 0.24 0.51 -0.24 0.15 -0.05 0.00 0.00 175.22 175.83 2dbm s LYS 27 N -3.67 1.89 -0.34 1.99 1.02 -1.26 -2.62 119.74 116.75 2dbm s LYS 27 Ca 0.34 -0.87 -0.37 0.00 0.02 0.00 0.00 55.97 55.10 2dbm s LYS 27 Cb 0.05 -1.85 -0.13 0.00 -0.52 0.00 0.00 37.83 35.39 2dbm s LYS 27 CO 0.18 0.50 2.11 -1.91 -0.92 0.00 0.00 175.35 175.31 2dbm n GLU 28 N 2.43 1.02 0.00 1.68 2.13 -1.23 -0.06 120.64 126.61 2dbm n GLU 28 Ca -0.16 0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2dbm n GLU 28 Cb 0.52 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.91 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 6.25 2.61 3.75 8.31 0.00 0.15 -4.98 105.19 121.28 2dbm n GLY 29 Ca 0.40 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 0.34 3.28 -4.65 1.61 9.92 0.91 -4.36 116.55 123.61 2dbm n ASP 30 Ca 0.00 1.16 -0.38 0.00 -0.53 0.00 0.00 54.79 55.04 2dbm n ASP 30 Cb 0.00 -1.58 -0.08 0.00 -0.64 0.00 0.00 41.12 38.82 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 -1.16 5.21 -0.32 0.53 -1.09 -1.26 -2.37 121.20 120.74 2dbm s ILE 31 Ca 0.58 0.60 -0.13 0.00 -2.23 0.00 0.00 60.65 59.46 2dbm s ILE 31 Cb -0.48 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 2dbm s ILE 31 CO 0.60 0.24 0.27 -0.63 -1.23 0.00 0.00 174.94 174.19 2dbm s ILE 32 N 1.49 5.25 0.72 2.92 1.09 -0.84 -4.94 121.20 126.90 2dbm s ILE 32 Ca 0.16 -0.02 -0.16 0.00 -1.10 0.00 0.00 60.65 59.54 2dbm s ILE 32 Cb -0.15 -3.71 -0.00 0.00 -1.06 0.00 0.00 42.46 37.54 2dbm s ILE 32 CO 0.08 0.03 0.89 0.41 -0.10 0.00 0.00 174.94 176.25 2dbm n THR 33 N 5.14 2.63 -5.05 2.92 -1.04 -1.26 -3.14 114.28 114.48 2dbm n THR 33 Ca -0.12 -0.38 -0.31 0.00 -2.04 0.00 0.00 64.05 61.20 2dbm n THR 33 Cb 0.50 -1.04 -0.17 0.00 -1.82 0.00 0.00 70.33 67.81 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 -2.58 2.04 0.08 -4.42 1.43 -1.10 -3.96 118.68 110.18 2dbm s LEU 34 Ca 0.72 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2dbm s LEU 34 Cb -0.35 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.52 2dbm s LEU 34 CO 0.52 0.13 0.00 0.35 0.23 0.00 0.00 176.35 177.58 2dbm n THR 35 N 3.66 0.51 -4.03 5.49 -2.24 0.28 -4.63 114.28 113.34 2dbm n THR 35 Ca -0.19 0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 2dbm n THR 35 Cb 0.53 -1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 67.42 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 0.31 -0.03 3.42 -0.87 -1.04 -5.02 114.94 106.30 2dbm s ASN 36 Ca 0.00 -1.18 0.05 0.00 -1.57 0.00 0.00 52.86 50.15 2dbm s ASN 36 Cb 0.00 0.63 -0.01 0.00 -0.02 0.00 0.00 41.25 41.85 2dbm s ASN 36 CO 0.00 -1.24 -0.16 -1.58 -2.57 0.00 0.00 177.10 171.55 2dbm s GLN 37 N -3.50 1.50 -0.17 -0.60 0.74 -1.26 0.35 119.66 116.72 2dbm s GLN 37 Ca 0.26 -0.58 -0.04 0.00 0.05 0.00 0.00 55.36 55.04 2dbm s GLN 37 Cb -0.01 -1.38 -0.09 0.00 1.10 0.00 0.00 33.01 32.63 2dbm s GLN 37 CO 0.14 0.30 -0.19 -0.89 -0.55 0.00 0.00 175.29 174.10 2dbm n ILE 38 N 2.90 0.94 -3.42 -2.34 -0.00 -1.25 -4.97 119.36 111.21 2dbm n ILE 38 Ca -0.16 -0.30 -0.16 0.00 -0.00 0.00 0.00 62.75 62.13 2dbm n ILE 38 Cb 0.54 -1.42 0.02 0.00 -0.00 0.00 0.00 39.64 38.78 2dbm n ILE 38 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2dbm n ASP 39 N -3.39 1.90 0.09 4.38 9.92 -1.25 -5.03 116.55 123.17 2dbm n ASP 39 Ca -0.32 -2.23 0.12 0.00 -0.53 0.00 0.00 54.79 51.83 2dbm n ASP 39 Cb 0.77 -0.16 0.13 0.00 -0.64 0.00 0.00 41.12 41.22 2dbm n ASP 39 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2dbm h GLU 40 N 0.00 0.00 0.00 -1.24 3.07 -2.02 -3.34 114.58 111.04 2dbm h GLU 40 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 2dbm h GLU 40 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 2dbm h GLU 40 CO 0.34 0.00 -0.04 0.09 -1.40 0.00 0.00 179.01 178.00 2dbm n ASN 41 N -2.36 1.14 -4.27 1.42 3.02 -1.26 -5.05 115.26 107.90 2dbm n ASN 41 Ca 0.02 -1.74 -0.22 0.00 -0.03 0.00 0.00 54.58 52.61 2dbm n ASN 41 Cb 0.48 -0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.74 1.66 0.40 3.10 0.52 -1.26 -1.09 118.94 121.54 2dbm s TRP 42 Ca 0.03 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.75 2dbm s TRP 42 Cb 0.03 -0.90 -0.05 0.00 -1.15 0.00 0.00 33.47 31.40 2dbm s TRP 42 CO 0.00 0.19 0.05 0.71 0.02 0.00 0.00 176.95 177.92 2dbm s TYR 43 N -1.39 2.06 -0.08 -1.98 2.02 -0.38 -3.80 117.35 113.79 2dbm s TYR 43 Ca 0.07 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.83 2dbm s TYR 43 Cb -0.09 -1.46 0.02 0.00 -0.40 0.00 0.00 41.96 40.03 2dbm s TYR 43 CO 0.04 0.11 -0.07 -2.00 -1.57 0.00 0.00 175.55 172.07 2dbm s GLU 44 N -3.81 1.27 0.22 -0.62 2.12 0.16 -2.49 118.70 115.56 2dbm s GLU 44 Ca 0.27 -0.20 -0.06 0.00 0.36 0.00 0.00 54.97 55.34 2dbm s GLU 44 Cb 0.06 -1.27 0.02 0.00 0.26 0.00 0.00 34.13 33.20 2dbm s GLU 44 CO 0.13 -0.15 0.40 0.41 -0.54 0.00 0.00 175.26 175.51 2dbm n GLY 45 N 4.48 1.82 3.29 -1.50 0.00 -1.23 -0.55 105.19 111.49 2dbm n GLY 45 Ca -0.17 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.21 3.29 -0.06 1.61 -1.94 -1.26 -3.44 119.30 115.29 2dbm s MET 46 Ca 0.12 -0.70 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 2dbm s MET 46 Cb -0.02 -2.74 0.03 0.00 2.01 0.00 0.00 34.83 34.11 2dbm s MET 46 CO 0.09 -0.02 -0.00 -1.17 -0.01 0.00 0.00 175.02 173.91 2dbm s LEU 47 N 0.95 0.75 -1.53 -0.03 2.96 0.35 -4.12 118.68 118.01 2dbm s LEU 47 Ca -0.02 -0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 53.69 2dbm s LEU 47 Cb -0.15 -0.39 0.08 0.00 0.50 0.00 0.00 46.19 46.23 2dbm s LEU 47 CO -0.01 -0.16 0.94 1.41 -1.32 0.00 0.00 176.35 177.21 2dbm n HIS 48 N 4.84 -2.22 -1.69 5.38 8.25 -1.26 -0.23 115.22 128.28 2dbm n HIS 48 Ca -0.12 0.89 -0.12 0.00 -0.26 0.00 0.00 57.72 58.11 2dbm n HIS 48 Cb 0.50 -3.93 -0.04 0.00 1.12 0.00 0.00 29.99 27.64 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 -1.67 0.77 3.11 -1.41 0.00 -1.26 -5.00 105.19 99.73 2dbm n GLY 49 Ca 0.01 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.52 1.87 -0.38 1.61 3.76 0.67 -5.11 115.29 115.19 2dbm s HIS 50 Ca 0.00 -0.70 -0.07 0.00 -0.15 0.00 0.00 55.06 54.14 2dbm s HIS 50 Cb 0.00 -1.30 0.07 0.00 1.11 0.00 0.00 32.58 32.46 2dbm s HIS 50 CO 0.00 -0.30 0.19 0.45 -0.85 0.00 0.00 174.74 174.22 2dbm s SER 51 N 0.45 5.43 0.33 1.40 0.15 -1.26 -0.50 113.70 119.70 2dbm s SER 51 Ca -0.14 -1.46 -0.01 0.00 0.70 0.00 0.00 55.95 55.04 2dbm s SER 51 Cb -0.16 -1.91 -0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2dbm s SER 51 CO 0.05 -0.45 0.43 -0.83 1.20 0.00 0.00 173.24 173.64 2dbm s GLY 52 N 1.79 1.61 -0.07 9.45 0.00 -1.22 -5.00 107.32 113.88 2dbm s GLY 52 Ca 0.02 -1.60 -0.06 0.00 0.00 0.00 0.00 44.72 43.07 2dbm s GLY 52 CO 0.01 -1.08 0.18 -1.36 0.00 0.00 0.00 173.10 170.85 2dbm s PHE 53 N -3.18 3.59 0.05 1.90 0.08 -1.25 -3.54 117.98 115.62 2dbm s PHE 53 Ca 0.32 0.50 0.02 0.00 0.12 0.00 0.00 56.93 57.90 2dbm s PHE 53 Cb 0.00 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 2dbm s PHE 53 CO 0.21 0.69 -0.08 -0.59 -0.10 0.00 0.00 175.22 175.35 2dbm s PHE 54 N -1.15 0.72 0.64 0.36 -0.71 -1.04 -1.32 117.98 115.47 2dbm s PHE 54 Ca 0.20 -0.51 -0.16 0.00 -1.04 0.00 0.00 56.93 55.43 2dbm s PHE 54 Cb -0.13 -0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 41.25 2dbm s PHE 54 CO 0.10 -0.07 1.11 -1.25 -1.34 0.00 0.00 175.22 173.77 2dbm s PRO 55 N -1.65 2.90 -0.14 1.99 0.04 -1.26 -1.25 135.00 135.63 2dbm s PRO 55 Ca -0.09 1.43 0.15 0.00 0.04 0.00 0.00 61.00 62.53 2dbm s PRO 55 Cb -0.10 -1.96 -0.24 0.00 0.04 0.00 0.00 34.50 32.24 2dbm s PRO 55 CO 0.00 -1.18 0.30 -0.89 0.04 0.00 0.00 177.00 175.27 2dbm n ILE 56 N -2.22 1.49 0.08 0.56 5.41 -0.25 -4.04 119.36 120.40 2dbm n ILE 56 Ca 0.11 -0.82 0.01 0.00 1.00 0.00 0.00 62.75 63.05 2dbm n ILE 56 Cb 0.52 -0.75 0.05 0.00 -0.71 0.00 0.00 39.64 38.75 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 -2.90 0.00 -0.06 4.38 2.85 -1.26 -1.07 115.26 117.20 2dbm n ASN 57 Ca -0.27 0.46 -0.03 0.00 -0.11 0.00 0.00 54.58 54.62 2dbm n ASN 57 Cb 1.11 -0.46 -0.14 0.00 1.24 0.00 0.00 39.78 41.52 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 -1.46 0.00 -4.25 1.20 4.01 -1.26 -5.01 117.16 110.40 2dbm n TYR 58 Ca 0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.49 2dbm n TYR 58 Cb 0.03 -0.74 -0.08 0.00 -0.31 0.00 0.00 39.34 38.23 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 -2.71 2.21 -0.08 -0.72 -7.23 -0.23 -2.12 120.40 109.51 2dbm s VAL 59 Ca -0.08 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 58.37 2dbm s VAL 59 Cb 0.07 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 2dbm s VAL 59 CO 0.75 0.00 -0.23 -0.70 -0.31 0.00 0.00 175.10 174.62 2dbm s GLU 60 N -3.87 2.84 -0.41 4.82 -6.30 0.30 -4.82 118.70 111.27 2dbm s GLU 60 Ca 0.39 -0.86 -0.22 0.00 -2.50 0.00 0.00 54.97 51.77 2dbm s GLU 60 Cb 0.05 -2.28 0.02 0.00 0.00 0.00 0.00 34.13 31.92 2dbm s GLU 60 CO 0.21 0.29 0.75 0.42 0.02 0.00 0.00 175.26 176.95 2dbm s ILE 61 N 0.07 4.73 -0.10 -3.70 -1.09 -1.26 -2.04 121.20 117.81 2dbm s ILE 61 Ca -0.10 0.57 -0.09 0.00 -2.23 0.00 0.00 60.65 58.80 2dbm s ILE 61 Cb -0.16 -4.24 -0.27 0.00 -1.58 0.00 0.00 42.46 36.22 2dbm s ILE 61 CO 0.06 -0.55 0.46 -0.07 -1.23 0.00 0.00 174.94 173.61 2dbm h LEU 62 N 9.85 0.46 -7.99 2.97 3.38 -1.96 -3.45 115.31 118.58 2dbm h LEU 62 Ca -0.25 -0.93 -0.68 0.00 0.09 0.00 0.00 57.88 56.11 2dbm h LEU 62 Cb 1.09 -0.15 -0.34 0.00 0.09 0.00 0.00 40.66 41.35 2dbm h LEU 62 CO 0.92 1.81 -0.73 -0.69 0.09 0.00 0.00 178.44 179.84 2dbm s VAL 63 N -2.55 2.73 0.06 1.22 1.01 -1.25 -5.05 120.40 116.57 2dbm s VAL 63 Ca -0.21 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.01 2dbm s VAL 63 Cb 0.06 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 2dbm s VAL 63 CO 0.79 -0.08 1.88 0.00 0.00 0.00 0.00 175.10 177.69 2dbm s ALA 64 N 1.21 3.64 0.71 5.51 0.00 -1.26 -4.60 121.76 126.98 2dbm s ALA 64 Ca -0.06 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.06 2dbm s ALA 64 Cb -0.20 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 2dbm s ALA 64 CO -0.02 -1.43 0.52 1.28 0.00 0.00 0.00 175.76 176.11 2dbm n LEU 65 N 6.84 0.77 -4.55 0.00 4.77 -1.26 -4.81 117.00 118.77 2dbm n LEU 65 Ca 0.19 0.60 -0.38 0.00 -0.03 0.00 0.00 56.01 56.39 2dbm n LEU 65 Cb 0.40 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 2dbm n LEU 65 CO 0.66 -3.13 1.60 -2.16 -1.33 0.00 0.00 177.39 173.04 2dbm s PRO 66 N -2.70 2.62 0.12 3.23 0.04 -1.26 -4.97 135.00 132.07 2dbm s PRO 66 Ca 0.65 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2dbm s PRO 66 Cb -0.35 -4.42 -0.06 0.00 0.04 0.00 0.00 34.50 29.71 2dbm s PRO 66 CO 0.58 -2.77 0.99 -1.01 0.04 0.00 0.00 177.00 174.83 2dbm s HIS 67 N 9.16 3.77 0.07 0.56 3.76 -1.26 -4.93 115.29 126.42 2dbm s HIS 67 Ca 0.68 1.76 0.00 0.00 -0.15 0.00 0.00 55.06 57.35 2dbm s HIS 67 Cb -0.12 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 30.47 2dbm s HIS 67 CO 0.20 0.06 0.00 0.43 -0.85 0.00 0.00 174.74 174.58 2dbm n SER 68 N 2.78 0.31 -4.69 1.40 7.64 -1.26 -5.07 113.62 114.72 2dbm n SER 68 Ca 0.03 0.11 -0.39 0.00 1.01 0.00 0.00 58.87 59.63 2dbm n SER 68 Cb 0.49 -0.05 0.04 0.00 -1.01 0.00 0.00 64.21 63.68 2dbm n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbm n GLY 69 N 2.70 0.38 3.68 0.23 0.00 -1.26 -4.91 105.19 106.01 2dbm n GLY 69 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.66 4.26 -0.23 1.61 0.04 -1.26 -5.01 135.00 131.74 2dbm s PRO 70 Ca 0.70 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.70 2dbm s PRO 70 Cb -0.45 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.44 2dbm s PRO 70 CO 0.51 -0.63 0.04 0.45 0.04 0.00 0.00 177.00 177.40 2dbm s SER 71 N 2.11 4.94 -0.67 6.66 0.15 -1.26 -5.05 113.70 120.58 2dbm s SER 71 Ca 0.66 -0.23 -0.27 0.00 0.70 0.00 0.00 55.95 56.80 2dbm s SER 71 Cb -0.32 -1.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.14 2dbm s SER 71 CO 0.27 -0.01 1.31 -0.55 1.20 0.00 0.00 173.24 175.46 2dbm s SER 72 N 1.46 6.17 0.00 5.45 0.15 -1.26 -5.27 113.70 120.40 2dbm s SER 72 Ca 0.05 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2dbm s SER 72 Cb -0.15 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dbm s SER 72 CO 0.02 -1.77 0.31 0.61 1.20 0.00 0.00 173.24 173.61