#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 5.53 -0.56 1.61 1.04 -1.26 -5.08 113.70 114.98 2dbm s SER 2 Ca 0.00 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.31 2dbm s SER 2 Cb 0.00 -1.46 0.14 0.00 0.10 0.00 0.00 66.02 64.81 2dbm s SER 2 CO 0.00 0.10 0.37 -0.55 0.98 0.00 0.00 173.24 174.14 2dbm s SER 3 N -2.90 5.26 0.00 7.02 0.15 -1.26 -4.81 113.70 117.17 2dbm s SER 3 Ca 0.30 -2.58 0.00 0.00 0.70 0.00 0.00 55.95 54.38 2dbm s SER 3 Cb -0.11 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2dbm s SER 3 CO 0.23 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2dbm n GLY 4 N 3.86 -1.75 3.40 9.45 0.00 -1.26 -5.01 105.19 113.88 2dbm n GLY 4 Ca 0.04 0.59 -0.25 0.00 0.00 0.00 0.00 46.02 46.40 2dbm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbm n SER 5 N 0.00 -4.94 0.04 1.61 2.88 -1.26 -4.87 113.62 107.08 2dbm n SER 5 Ca 0.00 -0.46 -0.15 0.00 -1.33 0.00 0.00 58.87 56.94 2dbm n SER 5 Cb 0.00 -4.00 -0.14 0.00 -0.75 0.00 0.00 64.21 59.32 2dbm n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dbm h SER 6 N -1.48 0.27 -4.14 -3.46 4.64 -2.02 -3.49 113.55 103.88 2dbm h SER 6 Ca -0.51 -0.42 -0.35 0.00 -0.47 0.00 0.00 61.79 60.04 2dbm h SER 6 Cb 1.34 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 63.25 2dbm h SER 6 CO 0.58 1.36 -0.33 0.61 -0.87 0.00 0.00 176.83 178.18 2dbm n GLY 7 N 1.65 2.99 3.67 -0.77 0.00 -1.26 -5.12 105.19 106.34 2dbm n GLY 7 Ca -0.17 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.00 4.22 0.25 1.61 0.04 -1.26 -4.96 135.00 131.90 2dbm s PRO 8 Ca 0.30 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.38 2dbm s PRO 8 Cb 0.01 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 2dbm s PRO 8 CO 0.21 -0.74 0.19 0.00 0.04 0.00 0.00 177.00 176.70 2dbm s ARG 11 N -3.82 2.65 0.14 0.00 3.52 -0.67 -2.13 118.95 118.66 2dbm s ARG 11 Ca 0.18 -0.89 -0.29 0.00 -0.13 0.00 0.00 55.73 54.60 2dbm s ARG 11 Cb 0.04 -2.20 -0.07 0.00 -1.56 0.00 0.00 34.95 31.16 2dbm s ARG 11 CO 0.01 0.35 0.94 0.00 -0.81 0.00 0.00 175.30 175.78 2dbm s ALA 12 N -0.08 3.28 -0.14 6.12 0.00 -1.02 -0.44 121.76 129.48 2dbm s ALA 12 Ca -0.06 0.56 0.18 0.00 0.00 0.00 0.00 51.96 52.64 2dbm s ALA 12 Cb -0.14 -3.23 -0.24 0.00 0.00 0.00 0.00 23.12 19.50 2dbm s ALA 12 CO 0.05 0.05 0.32 1.28 0.00 0.00 0.00 175.76 177.45 2dbm n LEU 13 N 2.43 0.25 -4.30 0.00 4.77 -0.05 -0.30 117.00 119.79 2dbm n LEU 13 Ca 0.01 0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 2dbm n LEU 13 Cb 0.49 0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.81 2dbm n LEU 13 CO 0.50 0.36 -0.13 -0.31 -1.33 0.00 0.00 177.39 176.48 2dbm s TYR 14 N -2.72 1.70 0.07 -1.77 1.51 -1.25 -4.81 117.35 110.09 2dbm s TYR 14 Ca -0.08 -1.59 -0.10 0.00 -1.01 0.00 0.00 57.07 54.29 2dbm s TYR 14 Cb 0.08 -0.76 -0.06 0.00 -0.11 0.00 0.00 41.96 41.11 2dbm s TYR 14 CO 0.84 -0.77 0.39 0.16 -1.11 0.00 0.00 175.55 175.06 2dbm s ASP 15 N -3.38 6.65 0.02 2.29 -4.77 -1.26 -2.56 116.67 113.66 2dbm s ASP 15 Ca 0.38 0.80 -0.05 0.00 -3.30 0.00 0.00 52.55 50.39 2dbm s ASP 15 Cb 0.03 -2.18 -0.01 0.00 -1.09 0.00 0.00 42.92 39.67 2dbm s ASP 15 CO 0.24 0.19 0.07 0.12 0.70 0.00 0.00 175.17 176.50 2dbm s PHE 16 N -1.36 0.16 0.02 2.11 5.36 -1.18 -4.97 117.98 118.12 2dbm s PHE 16 Ca 0.32 -0.37 0.04 0.00 -0.96 0.00 0.00 56.93 55.96 2dbm s PHE 16 Cb -0.14 -0.12 -0.02 0.00 -0.34 0.00 0.00 43.02 42.40 2dbm s PHE 16 CO 0.17 -0.28 -0.11 -1.21 -1.46 0.00 0.00 175.22 172.33 2dbm s GLU 17 N -1.77 0.81 0.01 10.12 2.02 -1.26 -3.17 118.70 125.46 2dbm s GLU 17 Ca -0.12 -0.59 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 2dbm s GLU 17 Cb -0.06 -0.77 -0.06 0.00 0.10 0.00 0.00 34.13 33.34 2dbm s GLU 17 CO -0.01 0.19 1.44 -1.25 0.02 0.00 0.00 175.26 175.66 2dbm s PRO 18 N -0.83 4.27 -0.20 0.39 0.04 -1.26 -4.91 135.00 132.50 2dbm s PRO 18 Ca 0.01 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.09 2dbm s PRO 18 Cb -0.06 -3.58 -0.13 0.00 0.04 0.00 0.00 34.50 30.76 2dbm s PRO 18 CO 0.00 -0.60 -0.17 0.39 0.04 0.00 0.00 177.00 176.66 2dbm n GLU 19 N 5.43 0.53 -4.19 4.56 -0.58 -1.26 -5.03 120.64 120.10 2dbm n GLU 19 Ca 0.14 0.11 -0.14 0.00 -0.42 0.00 0.00 57.16 56.85 2dbm n GLU 19 Cb 0.43 -1.40 -0.11 0.00 -0.57 0.00 0.00 31.44 29.79 2dbm n GLU 19 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2dbm s ASN 20 N -5.93 1.50 0.52 1.62 2.20 -1.26 -5.12 114.94 108.47 2dbm s ASN 20 Ca -0.27 -0.88 -0.18 0.00 -0.94 0.00 0.00 52.86 50.59 2dbm s ASN 20 Cb 0.07 0.01 -0.12 0.00 -2.00 0.00 0.00 41.25 39.21 2dbm s ASN 20 CO 0.47 -0.30 0.24 -0.62 -2.94 0.00 0.00 177.10 173.95 2dbm n GLU 21 N 0.33 0.28 -2.60 3.55 1.02 -1.26 -3.38 120.64 118.59 2dbm n GLU 21 Ca -0.14 0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 57.08 2dbm n GLU 21 Cb 0.59 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 30.65 2dbm n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dbm n GLY 22 N 2.11 0.75 2.76 0.62 0.00 -1.26 -5.06 105.19 105.10 2dbm n GLY 22 Ca 0.10 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 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 -5.09 -0.03 -0.52 1.61 2.02 -1.22 -4.42 118.70 111.06 2dbm s GLU 23 Ca 0.07 0.40 -0.15 0.00 0.02 0.00 0.00 54.97 55.30 2dbm s GLU 23 Cb -0.03 -0.37 0.11 0.00 0.10 0.00 0.00 34.13 33.94 2dbm s GLU 23 CO 0.08 -0.28 0.46 -1.17 0.02 0.00 0.00 175.26 174.37 2dbm s LEU 24 N 1.93 5.99 0.35 1.80 2.96 -0.90 -4.73 118.68 126.09 2dbm s LEU 24 Ca 0.01 -1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 51.97 2dbm s LEU 24 Cb -0.12 -2.19 -0.11 0.00 0.50 0.00 0.00 46.19 44.27 2dbm s LEU 24 CO -0.04 -0.79 1.51 -0.83 -1.32 0.00 0.00 176.35 174.88 2dbm s GLY 25 N 3.25 2.70 0.23 7.98 0.00 -1.26 -4.77 107.32 115.45 2dbm s GLY 25 Ca 0.03 1.56 0.01 0.00 0.00 0.00 0.00 44.72 46.33 2dbm s GLY 25 CO 0.04 2.33 0.05 1.97 0.00 0.00 0.00 173.10 177.49 2dbm n PHE 26 N 0.99 0.25 -3.76 1.90 1.16 -1.19 -5.00 117.46 111.80 2dbm n PHE 26 Ca 0.03 -1.34 -0.13 0.00 -1.87 0.00 0.00 57.45 54.14 2dbm n PHE 26 Cb 0.39 -0.06 -0.11 0.00 -1.61 0.00 0.00 39.48 38.09 2dbm n PHE 26 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2dbm s LYS 27 N -2.85 0.33 0.04 3.97 -0.14 -1.26 -3.08 119.74 116.75 2dbm s LYS 27 Ca 0.07 0.44 -0.37 0.00 -1.36 0.00 0.00 55.97 54.75 2dbm s LYS 27 Cb 0.00 0.12 -0.19 0.00 -1.68 0.00 0.00 37.83 36.08 2dbm s LYS 27 CO 0.05 -0.06 0.95 -1.91 -0.76 0.00 0.00 175.35 173.62 2dbm n GLU 28 N 3.14 0.00 0.00 1.68 0.00 -1.06 0.02 120.64 124.43 2dbm n GLU 28 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.01 2dbm n GLU 28 Cb 0.57 -1.39 0.00 0.00 0.00 0.00 0.00 31.44 30.62 2dbm n GLU 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dbm n GLY 29 N 1.60 1.98 3.58 8.31 0.00 0.59 -4.92 105.19 116.33 2dbm n GLY 29 Ca 0.20 -0.38 -0.51 0.00 0.00 0.00 0.00 46.02 45.32 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 1.74 1.40 -4.53 1.61 9.92 0.10 -4.36 116.55 122.43 2dbm n ASP 30 Ca 0.00 1.13 -0.41 0.00 -0.53 0.00 0.00 54.79 54.98 2dbm n ASP 30 Cb 0.00 -1.18 -0.10 0.00 -0.64 0.00 0.00 41.12 39.20 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 0.16 5.20 -0.33 0.53 -1.09 -1.26 -2.42 121.20 121.98 2dbm s ILE 31 Ca 0.80 -0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.99 2dbm s ILE 31 Cb -0.93 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.12 2dbm s ILE 31 CO 0.50 -0.10 0.33 -0.63 -1.23 0.00 0.00 174.94 173.80 2dbm s ILE 32 N 1.93 5.20 1.04 2.92 1.01 -0.90 -4.91 121.20 127.49 2dbm s ILE 32 Ca 0.10 0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 2dbm s ILE 32 Cb -0.17 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.61 2dbm s ILE 32 CO 0.11 -0.05 0.26 0.41 0.00 0.00 0.00 174.94 175.68 2dbm n THR 33 N 5.20 0.00 -4.64 2.92 -1.04 -1.25 -2.44 114.28 113.02 2dbm n THR 33 Ca -0.10 -0.25 -0.25 0.00 -2.04 0.00 0.00 64.05 61.41 2dbm n THR 33 Cb 0.50 -0.64 -0.16 0.00 -1.82 0.00 0.00 70.33 68.20 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 -1.64 1.74 0.00 -4.42 1.43 -0.74 -4.08 118.68 110.97 2dbm s LEU 34 Ca 0.57 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2dbm s LEU 34 Cb -0.17 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.21 2dbm s LEU 34 CO 0.66 0.07 0.00 0.35 0.23 0.00 0.00 176.35 177.66 2dbm n THR 35 N 3.58 0.00 -3.84 5.49 -2.24 0.17 -4.76 114.28 112.69 2dbm n THR 35 Ca -0.21 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 2dbm n THR 35 Cb 0.52 -1.04 -0.01 0.00 -2.10 0.00 0.00 70.33 67.71 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 -4.67 -0.17 -0.06 3.42 -0.87 -0.82 -5.02 114.94 106.75 2dbm s ASN 36 Ca 0.00 -0.75 0.03 0.00 -1.57 0.00 0.00 52.86 50.56 2dbm s ASN 36 Cb 0.00 0.74 0.01 0.00 -0.02 0.00 0.00 41.25 41.98 2dbm s ASN 36 CO 0.00 -1.40 -0.13 -1.58 -2.57 0.00 0.00 177.10 171.41 2dbm s GLN 37 N -3.34 1.80 -0.26 -0.60 0.74 -1.26 0.98 119.66 117.71 2dbm s GLN 37 Ca 0.13 -0.46 -0.07 0.00 0.05 0.00 0.00 55.36 55.00 2dbm s GLN 37 Cb -0.05 -1.48 -0.15 0.00 1.10 0.00 0.00 33.01 32.43 2dbm s GLN 37 CO 0.08 0.06 -0.26 -0.89 -0.55 0.00 0.00 175.29 173.73 2dbm n ILE 38 N 3.72 1.52 -3.39 -2.34 -0.00 -1.25 -4.98 119.36 112.64 2dbm n ILE 38 Ca -0.22 -0.46 -0.12 0.00 -0.00 0.00 0.00 62.75 61.95 2dbm n ILE 38 Cb 0.52 -1.69 0.02 0.00 -0.00 0.00 0.00 39.64 38.49 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 -3.81 1.51 0.03 4.38 8.00 -1.24 -5.03 116.55 120.39 2dbm n ASP 39 Ca -0.49 -1.88 0.12 0.00 0.71 0.00 0.00 54.79 53.24 2dbm n ASP 39 Cb 0.93 -0.11 0.15 0.00 -0.02 0.00 0.00 41.12 42.07 2dbm n ASP 39 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2dbm n GLU 40 N -1.38 0.18 0.00 -1.24 4.07 -1.26 -4.08 120.64 116.94 2dbm n GLU 40 Ca 0.03 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 2dbm n GLU 40 Cb 0.31 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 2dbm n GLU 40 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2dbm n ASN 41 N -1.85 0.75 -4.35 4.31 3.02 -1.26 -5.02 115.26 110.86 2dbm n ASN 41 Ca 0.04 -1.20 -0.28 0.00 -0.03 0.00 0.00 54.58 53.11 2dbm n ASN 41 Cb 0.40 0.00 -0.13 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 -0.20 2.14 0.49 3.10 0.52 -1.26 -0.05 118.94 123.68 2dbm s TRP 42 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.74 2dbm s TRP 42 Cb 0.00 -1.18 -0.01 0.00 -1.15 0.00 0.00 33.47 31.12 2dbm s TRP 42 CO 0.00 0.26 0.03 0.71 0.02 0.00 0.00 176.95 177.97 2dbm s TYR 43 N -1.03 1.85 -0.10 -1.98 2.02 -0.28 -3.67 117.35 114.16 2dbm s TYR 43 Ca 0.11 -1.03 -0.02 0.00 -0.37 0.00 0.00 57.07 55.76 2dbm s TYR 43 Cb -0.10 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 39.99 2dbm s TYR 43 CO 0.05 0.11 0.02 -2.00 -1.57 0.00 0.00 175.55 172.16 2dbm s GLU 44 N -3.84 0.50 0.23 -0.62 2.12 0.28 -2.83 118.70 114.55 2dbm s GLU 44 Ca 0.10 0.03 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 2dbm s GLU 44 Cb 0.02 -1.18 0.01 0.00 0.26 0.00 0.00 34.13 33.24 2dbm s GLU 44 CO 0.06 -0.39 0.36 0.41 -0.54 0.00 0.00 175.26 175.15 2dbm n GLY 45 N 5.16 2.22 3.47 -1.50 0.00 -1.22 0.45 105.19 113.77 2dbm n GLY 45 Ca -0.07 -1.45 -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 -2.42 3.40 -0.14 1.61 -1.94 -1.26 -3.48 119.30 115.07 2dbm s MET 46 Ca 0.17 -0.59 -0.06 0.00 -1.71 0.00 0.00 55.69 53.50 2dbm s MET 46 Cb -0.01 -2.75 0.06 0.00 2.01 0.00 0.00 34.83 34.14 2dbm s MET 46 CO 0.12 0.31 0.32 -1.17 -0.01 0.00 0.00 175.02 174.59 2dbm s LEU 47 N 0.15 -0.09 -1.40 -0.03 2.96 -0.01 -3.85 118.68 116.40 2dbm s LEU 47 Ca -0.04 0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 54.50 2dbm s LEU 47 Cb -0.14 0.98 0.04 0.00 0.50 0.00 0.00 46.19 47.57 2dbm s LEU 47 CO 0.04 -0.20 1.04 1.41 -1.32 0.00 0.00 176.35 177.31 2dbm n HIS 48 N 4.74 -2.49 -1.82 5.38 8.25 -1.26 -0.97 115.22 127.05 2dbm n HIS 48 Ca -0.17 0.95 -0.19 0.00 -0.26 0.00 0.00 57.72 58.05 2dbm n HIS 48 Cb 0.52 -4.57 -0.06 0.00 1.12 0.00 0.00 29.99 27.00 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 -1.75 1.07 3.20 -1.41 0.00 -1.26 -4.98 105.19 100.05 2dbm n GLY 49 Ca -0.05 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.78 1.56 -0.27 1.61 3.76 -0.14 -5.12 115.29 113.90 2dbm s HIS 50 Ca 0.00 -0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 54.55 2dbm s HIS 50 Cb 0.00 -0.94 0.04 0.00 1.11 0.00 0.00 32.58 32.79 2dbm s HIS 50 CO 0.00 0.05 -0.04 -1.54 -0.85 0.00 0.00 174.74 172.35 2dbm s SER 51 N -1.00 4.58 0.28 1.40 1.04 -1.26 -0.83 113.70 117.90 2dbm s SER 51 Ca 0.05 -1.14 -0.03 0.00 0.48 0.00 0.00 55.95 55.31 2dbm s SER 51 Cb -0.08 -1.66 0.01 0.00 0.10 0.00 0.00 66.02 64.39 2dbm s SER 51 CO 0.01 -0.20 0.42 0.61 0.98 0.00 0.00 173.24 175.06 2dbm n GLY 52 N 4.61 2.15 3.69 7.32 0.00 -1.23 -5.04 105.19 116.68 2dbm n GLY 52 Ca -0.15 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.44 3.10 0.05 1.61 0.08 -1.26 -3.42 117.98 114.70 2dbm s PHE 53 Ca 0.21 0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.38 2dbm s PHE 53 Cb -0.01 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.72 2dbm s PHE 53 CO 0.15 0.47 -0.07 -0.59 -0.10 0.00 0.00 175.22 175.08 2dbm s PHE 54 N -1.06 0.67 0.64 0.36 -0.71 -1.13 -2.12 117.98 114.63 2dbm s PHE 54 Ca 0.19 -0.65 -0.16 0.00 -1.04 0.00 0.00 56.93 55.27 2dbm s PHE 54 Cb -0.11 -0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 41.28 2dbm s PHE 54 CO 0.09 -0.13 1.11 -1.25 -1.34 0.00 0.00 175.22 173.70 2dbm s PRO 55 N -2.33 2.90 -0.03 1.99 0.04 -1.26 -1.12 135.00 135.19 2dbm s PRO 55 Ca -0.04 1.43 0.19 0.00 0.04 0.00 0.00 61.00 62.62 2dbm s PRO 55 Cb -0.05 -1.96 -0.22 0.00 0.04 0.00 0.00 34.50 32.31 2dbm s PRO 55 CO -0.02 -1.18 0.52 -0.89 0.04 0.00 0.00 177.00 175.47 2dbm n ILE 56 N -2.22 0.85 0.44 0.56 5.41 0.93 -4.02 119.36 121.32 2dbm n ILE 56 Ca 0.11 -0.67 0.04 0.00 1.00 0.00 0.00 62.75 63.23 2dbm n ILE 56 Cb 0.52 -0.41 0.23 0.00 -0.71 0.00 0.00 39.64 39.27 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 -2.65 0.00 -0.01 4.38 0.23 -1.26 -1.56 115.26 114.39 2dbm n ASN 57 Ca -0.14 0.09 0.04 0.00 -0.53 0.00 0.00 54.58 54.04 2dbm n ASN 57 Cb 0.83 -0.24 -0.07 0.00 -2.08 0.00 0.00 39.78 38.22 2dbm n ASN 57 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2dbm n TYR 58 N -1.24 0.00 -4.47 -2.53 4.01 -1.26 -5.01 117.16 106.67 2dbm n TYR 58 Ca 0.05 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.53 2dbm n TYR 58 Cb 0.06 -0.24 -0.13 0.00 -0.31 0.00 0.00 39.34 38.72 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 -2.63 1.77 -0.11 -0.72 -7.23 -0.60 -0.87 120.40 110.00 2dbm s VAL 59 Ca -0.04 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.66 2dbm s VAL 59 Cb 0.06 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 2dbm s VAL 59 CO 0.40 0.08 0.07 -0.70 -0.31 0.00 0.00 175.10 174.64 2dbm s GLU 60 N -1.61 3.32 -0.62 4.82 2.12 0.42 -4.73 118.70 122.42 2dbm s GLU 60 Ca 0.08 -0.27 -0.23 0.00 0.36 0.00 0.00 54.97 54.90 2dbm s GLU 60 Cb -0.10 -3.03 0.06 0.00 0.26 0.00 0.00 34.13 31.33 2dbm s GLU 60 CO 0.03 0.68 0.95 0.42 -0.54 0.00 0.00 175.26 176.80 2dbm s ILE 61 N -0.79 4.36 0.03 -3.70 -1.09 -1.26 -1.67 121.20 117.09 2dbm s ILE 61 Ca 0.13 -0.14 -0.16 0.00 -2.23 0.00 0.00 60.65 58.24 2dbm s ILE 61 Cb -0.12 -4.62 -0.29 0.00 -1.58 0.00 0.00 42.46 35.85 2dbm s ILE 61 CO 0.03 -1.32 1.07 -0.07 -1.23 0.00 0.00 174.94 173.41 2dbm h LEU 62 N 11.19 0.80 -8.10 2.97 3.38 -1.94 -3.43 115.31 120.17 2dbm h LEU 62 Ca -0.28 -0.84 -0.67 0.00 0.09 0.00 0.00 57.88 56.18 2dbm h LEU 62 Cb 1.07 -0.25 -0.33 0.00 0.09 0.00 0.00 40.66 41.24 2dbm h LEU 62 CO 1.14 1.56 -0.77 -0.69 0.09 0.00 0.00 178.44 179.78 2dbm s VAL 63 N -2.91 2.69 0.11 1.22 1.01 -1.24 -5.05 120.40 116.23 2dbm s VAL 63 Ca -0.10 -1.10 -0.31 0.00 0.00 0.00 0.00 61.98 60.46 2dbm s VAL 63 Cb 0.05 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 2dbm s VAL 63 CO 0.91 0.20 1.60 0.00 0.00 0.00 0.00 175.10 177.82 2dbm s ALA 64 N 1.29 3.72 0.74 5.51 0.00 -1.26 -4.35 121.76 127.41 2dbm s ALA 64 Ca -0.01 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 2dbm s ALA 64 Cb -0.17 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.29 2dbm s ALA 64 CO -0.05 -0.94 0.77 1.28 0.00 0.00 0.00 175.76 176.81 2dbm n LEU 65 N 4.80 2.23 0.00 0.00 4.77 -1.26 -4.84 117.00 122.70 2dbm n LEU 65 Ca 0.15 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.81 2dbm n LEU 65 Cb 0.40 -1.32 0.39 0.00 -2.33 0.00 0.00 43.42 40.56 2dbm n LEU 65 CO 0.62 -2.55 0.69 -0.81 -1.33 0.00 0.00 177.39 174.01 2dbm n PRO 66 N -1.46 0.27 -3.48 3.23 -0.04 -1.26 -4.40 135.00 127.87 2dbm n PRO 66 Ca 0.11 0.11 -0.19 0.00 -0.04 0.00 0.00 63.50 63.50 2dbm n PRO 66 Cb 0.50 -1.50 -0.12 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 -2.44 -0.28 -0.10 0.54 2.46 -1.26 -5.04 115.29 109.17 2dbm s HIS 67 Ca 0.16 0.08 -0.09 0.00 0.47 0.00 0.00 55.06 55.68 2dbm s HIS 67 Cb 0.10 -0.41 -0.03 0.00 -0.13 0.00 0.00 32.58 32.11 2dbm s HIS 67 CO 0.21 -0.68 -0.18 -1.13 -2.47 0.00 0.00 174.74 170.49 2dbm n SER 68 N 5.31 1.11 0.00 9.88 3.41 -1.26 -5.04 113.62 127.04 2dbm n SER 68 Ca -0.05 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2dbm n SER 68 Cb 0.48 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2dbm n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbm n GLY 69 N 1.52 -0.61 3.76 5.00 0.00 -1.26 -5.01 105.19 108.58 2dbm n GLY 69 Ca -0.07 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 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 4.45 0.81 1.61 0.04 -1.26 -5.03 135.00 135.63 2dbm s PRO 70 Ca 0.00 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 2dbm s PRO 70 Cb 0.00 -3.13 0.08 0.00 0.04 0.00 0.00 34.50 31.49 2dbm s PRO 70 CO 0.00 -0.08 1.12 -1.12 0.04 0.00 0.00 177.00 176.96 2dbm s SER 71 N -0.43 4.38 0.27 6.66 0.01 -1.26 -5.03 113.70 118.30 2dbm s SER 71 Ca 0.49 1.14 -0.25 0.00 1.31 0.00 0.00 55.95 58.64 2dbm s SER 71 Cb -0.37 -1.82 -0.09 0.00 0.21 0.00 0.00 66.02 63.95 2dbm s SER 71 CO 0.46 -2.02 0.88 -0.44 0.41 0.00 0.00 173.24 172.53 2dbm s SER 72 N -4.07 7.33 0.00 2.44 0.01 -1.26 -5.32 113.70 112.83 2dbm s SER 72 Ca 0.61 1.74 0.00 0.00 1.31 0.00 0.00 55.95 59.61 2dbm s SER 72 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2dbm s SER 72 CO 0.53 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.81