#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 0.56 -0.20 1.61 0.01 -1.26 -5.15 113.70 109.27 2dbm s SER 2 Ca 0.00 -0.72 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 2dbm s SER 2 Cb 0.00 0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.45 2dbm s SER 2 CO 0.00 -0.39 0.36 -0.44 0.41 0.00 0.00 173.24 173.18 2dbm s SER 3 N -2.13 0.18 0.00 2.44 0.01 -1.26 -5.06 113.70 107.89 2dbm s SER 3 Ca -0.04 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2dbm s SER 3 Cb -0.03 1.06 0.00 0.00 0.21 0.00 0.00 66.02 67.26 2dbm s SER 3 CO -0.04 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2dbm n GLY 4 N 5.37 -1.76 3.68 3.44 0.00 -1.26 -5.14 105.19 109.53 2dbm n GLY 4 Ca -0.06 0.75 -0.42 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 7.05 -0.20 1.61 0.01 -1.26 -5.02 113.70 115.89 2dbm s SER 5 Ca 0.00 1.79 -0.06 0.00 1.31 0.00 0.00 55.95 58.99 2dbm s SER 5 Cb 0.00 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2dbm s SER 5 CO 0.00 -0.60 0.02 -0.44 0.41 0.00 0.00 173.24 172.63 2dbm s SER 6 N 1.52 5.07 0.00 2.44 0.01 -1.26 -5.01 113.70 116.47 2dbm s SER 6 Ca 0.55 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2dbm s SER 6 Cb -0.24 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2dbm s SER 6 CO 0.21 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2dbm n GLY 7 N 4.04 -0.74 3.67 3.44 0.00 -1.26 -4.88 105.19 109.47 2dbm n GLY 7 Ca -0.17 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.26 4.24 0.09 1.61 0.04 -1.26 -4.98 135.00 133.48 2dbm s PRO 8 Ca 0.00 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 2dbm s PRO 8 Cb 0.00 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 2dbm s PRO 8 CO 0.00 -0.70 0.04 0.00 0.04 0.00 0.00 177.00 176.38 2dbm s ARG 11 N -3.80 1.63 0.11 0.00 3.52 -0.80 -2.32 118.95 117.28 2dbm s ARG 11 Ca 0.27 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 2dbm s ARG 11 Cb 0.06 -1.41 -0.06 0.00 -1.56 0.00 0.00 34.95 31.99 2dbm s ARG 11 CO 0.13 0.18 0.95 0.00 -0.81 0.00 0.00 175.30 175.75 2dbm s ALA 12 N 0.19 3.25 -0.16 6.12 0.00 -1.22 -0.64 121.76 129.29 2dbm s ALA 12 Ca -0.06 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2dbm s ALA 12 Cb -0.12 -3.27 -0.23 0.00 0.00 0.00 0.00 23.12 19.51 2dbm s ALA 12 CO 0.02 -0.02 0.20 1.28 0.00 0.00 0.00 175.76 177.24 2dbm n LEU 13 N 2.79 2.21 0.00 0.00 4.77 0.13 0.21 117.00 127.12 2dbm n LEU 13 Ca 0.02 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 2dbm n LEU 13 Cb 0.49 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 2dbm n LEU 13 CO 0.51 0.78 -0.09 -1.22 -1.33 0.00 0.00 177.39 176.03 2dbm n TYR 14 N -3.27 0.09 -3.89 -1.77 4.02 -1.25 -4.75 117.16 106.33 2dbm n TYR 14 Ca -0.34 -1.45 -0.36 0.00 -0.01 0.00 0.00 57.90 55.75 2dbm n TYR 14 Cb 1.04 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 40.28 2dbm n TYR 14 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 2dbm s ASP 15 N -2.39 6.06 -0.02 7.72 1.47 -1.26 -2.59 116.67 125.66 2dbm s ASP 15 Ca 0.11 0.27 0.03 0.00 1.18 0.00 0.00 52.55 54.14 2dbm s ASP 15 Cb 0.01 -2.01 -0.00 0.00 -0.34 0.00 0.00 42.92 40.58 2dbm s ASP 15 CO 0.08 0.27 -0.11 0.12 0.68 0.00 0.00 175.17 176.21 2dbm s PHE 16 N -0.19 1.06 -0.05 2.11 5.36 -1.20 -4.99 117.98 120.07 2dbm s PHE 16 Ca 0.10 -0.25 0.06 0.00 -0.96 0.00 0.00 56.93 55.87 2dbm s PHE 16 Cb -0.12 -0.73 -0.01 0.00 -0.34 0.00 0.00 43.02 41.82 2dbm s PHE 16 CO 0.01 -0.09 -0.24 -1.21 -1.46 0.00 0.00 175.22 172.23 2dbm s GLU 17 N 0.05 2.33 -0.04 10.12 2.02 -1.26 -3.30 118.70 128.62 2dbm s GLU 17 Ca -0.01 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.81 2dbm s GLU 17 Cb -0.08 -2.04 -0.05 0.00 0.10 0.00 0.00 34.13 32.06 2dbm s GLU 17 CO 0.00 0.40 1.49 -1.25 0.02 0.00 0.00 175.26 175.92 2dbm s PRO 18 N -0.24 4.23 -0.19 0.39 0.04 -1.26 -4.90 135.00 133.07 2dbm s PRO 18 Ca -0.00 2.02 0.17 0.00 0.04 0.00 0.00 61.00 63.22 2dbm s PRO 18 Cb -0.12 -3.76 -0.23 0.00 0.04 0.00 0.00 34.50 30.42 2dbm s PRO 18 CO 0.02 -0.71 0.06 -0.85 0.04 0.00 0.00 177.00 175.57 2dbm n GLU 19 N 6.25 0.90 -4.06 4.56 0.00 -1.26 -4.99 120.64 122.04 2dbm n GLU 19 Ca 0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 57.16 57.17 2dbm n GLU 19 Cb 0.43 -1.49 -0.13 0.00 0.00 0.00 0.00 31.44 30.26 2dbm n GLU 19 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2dbm s ASN 20 N -5.33 0.60 1.00 -1.84 0.01 -1.26 -5.14 114.94 102.98 2dbm s ASN 20 Ca -0.09 -0.33 -0.17 0.00 -0.71 0.00 0.00 52.86 51.55 2dbm s ASN 20 Cb 0.06 0.00 -0.12 0.00 0.41 0.00 0.00 41.25 41.60 2dbm s ASN 20 CO 0.78 -0.10 -0.69 -1.84 -1.51 0.00 0.00 177.10 173.74 2dbm n GLU 21 N 2.17 -0.08 -2.56 -0.60 0.00 -1.26 -3.96 120.64 114.34 2dbm n GLU 21 Ca -0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 57.16 56.90 2dbm n GLU 21 Cb 0.56 -1.14 0.03 0.00 0.00 0.00 0.00 31.44 30.89 2dbm n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dbm n GLY 22 N 3.17 0.26 3.44 -1.84 0.00 -1.26 -5.06 105.19 103.90 2dbm n GLY 22 Ca -0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.70 0.70 -0.51 1.61 2.02 -1.25 -4.75 118.70 111.82 2dbm s GLU 23 Ca 0.05 0.60 -0.06 0.00 0.02 0.00 0.00 54.97 55.58 2dbm s GLU 23 Cb -0.02 0.34 0.13 0.00 0.10 0.00 0.00 34.13 34.68 2dbm s GLU 23 CO 0.23 -0.12 0.35 -1.17 0.02 0.00 0.00 175.26 174.57 2dbm s LEU 24 N -0.08 5.50 0.17 1.80 2.96 -1.01 -4.83 118.68 123.20 2dbm s LEU 24 Ca -0.03 -2.23 -0.32 0.00 -0.22 0.00 0.00 54.13 51.34 2dbm s LEU 24 Cb -0.03 -1.92 -0.11 0.00 0.50 0.00 0.00 46.19 44.63 2dbm s LEU 24 CO 0.02 -0.56 1.66 -0.83 -1.32 0.00 0.00 176.35 175.32 2dbm s GLY 25 N 1.88 1.40 0.53 7.98 0.00 -1.26 -4.71 107.32 113.14 2dbm s GLY 25 Ca 0.10 1.45 0.02 0.00 0.00 0.00 0.00 44.72 46.29 2dbm s GLY 25 CO -0.03 2.79 0.11 -0.11 0.00 0.00 0.00 173.10 175.86 2dbm s PHE 26 N 1.38 1.73 0.04 1.90 -0.12 -1.21 -5.01 117.98 116.69 2dbm s PHE 26 Ca 0.73 -0.95 0.03 0.00 -0.05 0.00 0.00 56.93 56.69 2dbm s PHE 26 Cb -0.46 -1.68 -0.02 0.00 -0.63 0.00 0.00 43.02 40.23 2dbm s PHE 26 CO 0.32 0.01 -0.09 0.21 -0.05 0.00 0.00 175.22 175.62 2dbm s LYS 27 N -4.01 0.63 -0.08 1.99 2.36 -1.26 -3.28 119.74 116.09 2dbm s LYS 27 Ca 0.11 -0.67 -0.36 0.00 -2.55 0.00 0.00 55.97 52.50 2dbm s LYS 27 Cb -0.00 -0.51 -0.13 0.00 -1.05 0.00 0.00 37.83 36.13 2dbm s LYS 27 CO 0.07 0.12 1.75 -1.91 1.55 0.00 0.00 175.35 176.92 2dbm n GLU 28 N 1.83 1.83 0.00 4.03 2.13 -1.07 -1.08 120.64 128.32 2dbm n GLU 28 Ca -0.20 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2dbm n GLU 28 Cb 0.55 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.82 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 4.02 2.40 3.62 8.31 0.00 0.13 -4.92 105.19 118.75 2dbm n GLY 29 Ca 0.22 -0.58 -0.55 0.00 0.00 0.00 0.00 46.02 45.12 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 1.39 2.41 -4.65 1.61 9.92 -0.24 -4.26 116.55 122.73 2dbm n ASP 30 Ca 0.00 0.87 -0.43 0.00 -0.53 0.00 0.00 54.79 54.70 2dbm n ASP 30 Cb 0.00 -1.20 -0.02 0.00 -0.64 0.00 0.00 41.12 39.26 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 4.75 4.34 -0.37 0.53 -1.09 -1.26 -3.40 121.20 124.71 2dbm s ILE 31 Ca 1.02 1.59 -0.15 0.00 -2.23 0.00 0.00 60.65 60.87 2dbm s ILE 31 Cb -0.98 -4.16 -0.00 0.00 -1.58 0.00 0.00 42.46 35.74 2dbm s ILE 31 CO 0.59 -0.29 0.35 -0.63 -1.23 0.00 0.00 174.94 173.73 2dbm s ILE 32 N 3.72 5.18 0.95 2.92 1.01 -0.98 -4.91 121.20 129.09 2dbm s ILE 32 Ca 0.52 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 2dbm s ILE 32 Cb -0.18 -3.86 0.11 0.00 0.01 0.00 0.00 42.46 38.54 2dbm s ILE 32 CO 0.16 -0.17 0.80 0.41 0.00 0.00 0.00 174.94 176.14 2dbm n THR 33 N 5.25 0.00 -4.76 2.92 -1.04 -1.26 -2.34 114.28 113.05 2dbm n THR 33 Ca -0.09 -0.11 -0.26 0.00 -2.04 0.00 0.00 64.05 61.55 2dbm n THR 33 Cb 0.49 -0.83 -0.16 0.00 -1.82 0.00 0.00 70.33 68.00 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 -4.23 1.83 0.00 -4.42 1.43 -0.41 -3.88 118.68 109.00 2dbm s LEU 34 Ca 0.63 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2dbm s LEU 34 Cb -0.22 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.06 2dbm s LEU 34 CO 0.62 0.10 0.00 1.07 0.23 0.00 0.00 176.35 178.38 2dbm n THR 35 N 3.44 0.00 -3.84 5.49 5.66 -0.11 -4.64 114.28 120.29 2dbm n THR 35 Ca -0.20 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.72 2dbm n THR 35 Cb 0.53 -0.32 -0.00 0.00 -1.55 0.00 0.00 70.33 68.98 2dbm n THR 35 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2dbm s ASN 36 N -3.64 -0.16 -0.01 1.09 2.47 -1.14 -5.04 114.94 108.51 2dbm s ASN 36 Ca 0.00 -0.81 0.05 0.00 0.42 0.00 0.00 52.86 52.53 2dbm s ASN 36 Cb 0.00 0.77 -0.01 0.00 -1.45 0.00 0.00 41.25 40.56 2dbm s ASN 36 CO 0.00 -1.47 -0.16 -1.58 -3.72 0.00 0.00 177.10 170.17 2dbm s GLN 37 N -3.32 1.27 -0.13 0.43 0.74 -1.26 0.11 119.66 117.50 2dbm s GLN 37 Ca 0.13 -0.61 -0.03 0.00 0.05 0.00 0.00 55.36 54.90 2dbm s GLN 37 Cb -0.06 -1.24 -0.07 0.00 1.10 0.00 0.00 33.01 32.74 2dbm s GLN 37 CO 0.09 0.34 -0.15 -0.89 -0.55 0.00 0.00 175.29 174.12 2dbm n ILE 38 N 2.58 0.75 -3.44 -2.34 -0.00 -1.26 -4.93 119.36 110.73 2dbm n ILE 38 Ca -0.15 -0.24 -0.20 0.00 -0.00 0.00 0.00 62.75 62.16 2dbm n ILE 38 Cb 0.54 -1.35 -0.01 0.00 -0.00 0.00 0.00 39.64 38.82 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 -5.79 5.14 0.04 4.38 1.11 -1.26 -5.01 116.67 115.28 2dbm s ASP 39 Ca -0.19 -0.73 0.28 0.00 0.18 0.00 0.00 52.55 52.09 2dbm s ASP 39 Cb 0.06 -0.44 1.00 0.00 1.07 0.00 0.00 42.92 44.61 2dbm s ASP 39 CO 0.27 -0.76 1.79 -0.62 1.18 0.00 0.00 175.17 177.03 2dbm n GLU 40 N -1.68 0.05 0.00 8.23 4.71 -1.26 -3.57 120.64 127.12 2dbm n GLU 40 Ca 0.05 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 2dbm n GLU 40 Cb 0.61 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 2dbm n GLU 40 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2dbm n ASN 41 N -1.65 0.90 -4.54 1.62 5.03 -1.26 -5.07 115.26 110.29 2dbm n ASN 41 Ca 0.06 -1.35 -0.26 0.00 0.87 0.00 0.00 54.58 53.91 2dbm n ASN 41 Cb 0.36 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.01 2dbm n ASN 41 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2dbm s TRP 42 N -0.35 2.37 0.04 3.10 0.52 -1.23 -1.26 118.94 122.12 2dbm s TRP 42 Ca 0.00 -0.53 0.02 0.00 0.02 0.00 0.00 56.10 55.61 2dbm s TRP 42 Cb 0.00 -1.38 -0.02 0.00 -1.15 0.00 0.00 33.47 30.92 2dbm s TRP 42 CO 0.00 0.55 -0.07 0.71 0.02 0.00 0.00 176.95 178.17 2dbm s TYR 43 N -2.65 0.57 -0.19 -1.98 2.02 -0.69 -4.24 117.35 110.19 2dbm s TYR 43 Ca 0.32 -0.51 -0.06 0.00 -0.37 0.00 0.00 57.07 56.45 2dbm s TYR 43 Cb 0.03 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.20 2dbm s TYR 43 CO 0.16 -0.11 0.04 -2.00 -1.57 0.00 0.00 175.55 172.07 2dbm s GLU 44 N -1.57 3.85 0.20 -0.62 2.12 0.30 -2.23 118.70 120.76 2dbm s GLU 44 Ca -0.11 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 54.78 2dbm s GLU 44 Cb -0.10 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.14 2dbm s GLU 44 CO -0.00 0.19 0.30 0.41 -0.54 0.00 0.00 175.26 175.62 2dbm n GLY 45 N 3.76 2.35 2.96 -1.50 0.00 -1.22 -0.93 105.19 110.62 2dbm n GLY 45 Ca -0.17 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.37 1.82 -0.04 1.61 -1.94 -1.25 -3.41 119.30 113.71 2dbm s MET 46 Ca 0.15 -0.81 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 2dbm s MET 46 Cb -0.01 -2.37 0.02 0.00 2.01 0.00 0.00 34.83 34.48 2dbm s MET 46 CO 0.11 -0.47 -0.06 -1.17 -0.01 0.00 0.00 175.02 173.43 2dbm s LEU 47 N 1.44 1.42 -1.49 -0.03 2.96 0.16 -4.32 118.68 118.81 2dbm s LEU 47 Ca -0.02 -0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 2dbm s LEU 47 Cb -0.17 -0.49 0.07 0.00 0.50 0.00 0.00 46.19 46.11 2dbm s LEU 47 CO -0.08 -0.03 0.98 1.41 -1.32 0.00 0.00 176.35 177.31 2dbm n HIS 48 N 3.93 -2.33 -1.64 5.38 8.25 -1.26 -0.37 115.22 127.18 2dbm n HIS 48 Ca -0.25 0.91 -0.17 0.00 -0.26 0.00 0.00 57.72 57.96 2dbm n HIS 48 Cb 0.51 -4.15 -0.06 0.00 1.12 0.00 0.00 29.99 27.41 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 -1.72 1.30 3.12 -1.41 0.00 -1.26 -4.98 105.19 100.23 2dbm n GLY 49 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.66 1.82 -0.35 1.61 3.76 0.50 -5.11 115.29 114.87 2dbm s HIS 50 Ca 0.00 -0.63 -0.04 0.00 -0.15 0.00 0.00 55.06 54.23 2dbm s HIS 50 Cb 0.00 -1.25 0.06 0.00 1.11 0.00 0.00 32.58 32.50 2dbm s HIS 50 CO 0.00 -0.26 0.11 0.45 -0.85 0.00 0.00 174.74 174.19 2dbm s SER 51 N 0.32 5.20 0.30 1.40 0.15 -1.26 -0.67 113.70 119.15 2dbm s SER 51 Ca -0.11 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.10 2dbm s SER 51 Cb -0.15 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.32 2dbm s SER 51 CO 0.04 -0.38 0.34 -0.83 1.20 0.00 0.00 173.24 173.61 2dbm s GLY 52 N 1.54 1.66 -0.12 9.45 0.00 -1.22 -4.99 107.32 113.64 2dbm s GLY 52 Ca 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 44.72 42.96 2dbm s GLY 52 CO -0.00 -1.20 0.16 -1.36 0.00 0.00 0.00 173.10 170.70 2dbm s PHE 53 N -3.50 3.58 0.13 1.90 0.08 -1.26 -3.39 117.98 115.52 2dbm s PHE 53 Ca 0.35 0.54 0.06 0.00 0.12 0.00 0.00 56.93 57.99 2dbm s PHE 53 Cb 0.02 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2dbm s PHE 53 CO 0.20 0.65 -0.13 -0.59 -0.10 0.00 0.00 175.22 175.25 2dbm s PHE 54 N -0.79 1.39 0.58 0.36 -0.71 -0.95 -2.39 117.98 115.47 2dbm s PHE 54 Ca 0.15 -0.59 -0.18 0.00 -1.04 0.00 0.00 56.93 55.26 2dbm s PHE 54 Cb -0.12 -0.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.93 2dbm s PHE 54 CO 0.04 0.15 1.12 -1.25 -1.34 0.00 0.00 175.22 173.94 2dbm s PRO 55 N -2.93 3.17 0.00 1.99 0.04 -1.26 -1.71 135.00 134.30 2dbm s PRO 55 Ca 0.11 1.54 0.23 0.00 0.04 0.00 0.00 61.00 62.92 2dbm s PRO 55 Cb -0.03 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.63 2dbm s PRO 55 CO 0.03 -0.98 1.14 -0.89 0.04 0.00 0.00 177.00 176.34 2dbm n ILE 56 N -1.67 0.00 1.80 0.56 5.41 -0.39 -4.03 119.36 121.05 2dbm n ILE 56 Ca 0.11 -0.04 0.03 0.00 1.00 0.00 0.00 62.75 63.85 2dbm n ILE 56 Cb 0.51 0.74 0.14 0.00 -0.71 0.00 0.00 39.64 40.33 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 -1.26 0.34 0.00 4.38 2.85 -1.26 -3.41 115.26 116.91 2dbm n ASN 57 Ca 0.06 -1.88 0.00 0.00 -0.11 0.00 0.00 54.58 52.65 2dbm n ASN 57 Cb 0.35 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.33 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 -0.37 0.00 -4.30 1.20 4.01 -1.26 -5.05 117.16 111.40 2dbm n TYR 58 Ca 0.05 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.54 2dbm n TYR 58 Cb 0.07 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.65 3.30 -0.07 -0.72 -7.23 -1.22 -0.69 120.40 112.12 2dbm s VAL 59 Ca 0.00 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 2dbm s VAL 59 Cb 0.00 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 2dbm s VAL 59 CO 0.00 -0.23 -0.08 -0.70 -0.31 0.00 0.00 175.10 173.78 2dbm s GLU 60 N -3.21 2.72 -0.43 4.82 2.56 0.18 -4.81 118.70 120.54 2dbm s GLU 60 Ca 0.28 -0.57 -0.20 0.00 0.00 0.00 0.00 54.97 54.48 2dbm s GLU 60 Cb -0.08 -2.56 0.02 0.00 2.00 0.00 0.00 34.13 33.51 2dbm s GLU 60 CO 0.17 0.66 0.62 0.42 -0.56 0.00 0.00 175.26 176.56 2dbm s ILE 61 N -0.79 4.87 -0.11 -3.70 -1.09 -1.26 -1.90 121.20 117.21 2dbm s ILE 61 Ca 0.12 0.11 -0.08 0.00 -2.23 0.00 0.00 60.65 58.57 2dbm s ILE 61 Cb -0.11 -4.17 -0.27 0.00 -1.58 0.00 0.00 42.46 36.33 2dbm s ILE 61 CO 0.01 -0.54 0.41 -0.07 -1.23 0.00 0.00 174.94 173.52 2dbm h LEU 62 N 9.58 0.43 -7.99 2.97 3.38 -1.95 -3.45 115.31 118.28 2dbm h LEU 62 Ca -0.26 -0.94 -0.68 0.00 0.09 0.00 0.00 57.88 56.10 2dbm h LEU 62 Cb 1.10 -0.14 -0.34 0.00 0.09 0.00 0.00 40.66 41.37 2dbm h LEU 62 CO 0.87 1.83 -0.75 -0.69 0.09 0.00 0.00 178.44 179.80 2dbm s VAL 63 N -2.55 2.63 0.05 1.22 1.01 -1.25 -5.05 120.40 116.45 2dbm s VAL 63 Ca -0.22 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.06 2dbm s VAL 63 Cb 0.06 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.88 2dbm s VAL 63 CO 0.78 0.00 1.72 0.00 0.00 0.00 0.00 175.10 177.60 2dbm s ALA 64 N 1.21 3.67 0.66 5.51 0.00 -1.26 -4.44 121.76 127.12 2dbm s ALA 64 Ca -0.05 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 2dbm s ALA 64 Cb -0.19 -3.73 -0.07 0.00 0.00 0.00 0.00 23.12 19.12 2dbm s ALA 64 CO -0.04 -1.23 0.37 1.28 0.00 0.00 0.00 175.76 176.14 2dbm n LEU 65 N 6.13 -0.14 -4.59 0.00 4.77 -1.26 -4.82 117.00 117.09 2dbm n LEU 65 Ca 0.17 0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 56.35 2dbm n LEU 65 Cb 0.41 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 2dbm n LEU 65 CO 0.64 -3.47 1.49 -2.16 -1.33 0.00 0.00 177.39 172.56 2dbm s PRO 66 N -2.28 3.24 -1.08 3.23 0.04 -1.26 -3.18 135.00 133.71 2dbm s PRO 66 Ca 0.64 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 2dbm s PRO 66 Cb -0.39 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 29.95 2dbm s PRO 66 CO 0.59 -1.97 0.91 1.58 0.04 0.00 0.00 177.00 178.15 2dbm n HIS 67 N 10.48 -2.05 -0.02 0.56 -0.00 -1.26 -4.93 115.22 118.00 2dbm n HIS 67 Ca 0.21 0.84 -0.12 0.00 -0.00 0.00 0.00 57.72 58.66 2dbm n HIS 67 Cb 0.48 -4.69 -0.06 0.00 -0.00 0.00 0.00 29.99 25.72 2dbm n HIS 67 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2dbm h SER 68 N -1.82 0.14 -3.02 0.26 0.87 -1.91 -3.43 113.55 104.64 2dbm h SER 68 Ca -0.52 -0.20 -0.60 0.00 -1.23 0.00 0.00 61.79 59.24 2dbm h SER 68 Cb 1.30 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.19 2dbm h SER 68 CO 0.45 0.30 -0.42 -0.83 -0.53 0.00 0.00 176.83 175.80 2dbm s GLY 69 N -2.69 2.21 1.03 5.77 0.00 -1.26 -5.10 107.32 107.27 2dbm s GLY 69 Ca -0.14 -0.71 -0.13 0.00 0.00 0.00 0.00 44.72 43.74 2dbm s GLY 69 CO 0.69 -0.66 1.09 2.56 0.00 0.00 0.00 173.10 176.78 2dbm s PRO 70 N -2.53 0.20 -0.12 2.90 0.04 -1.26 -5.05 135.00 129.18 2dbm s PRO 70 Ca 0.37 0.44 -0.05 0.00 0.04 0.00 0.00 61.00 61.81 2dbm s PRO 70 Cb -0.13 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2dbm s PRO 70 CO 0.26 -2.87 0.05 -1.54 0.04 0.00 0.00 177.00 172.95 2dbm s SER 71 N -3.49 5.65 -0.17 6.66 1.04 -1.26 -5.10 113.70 117.04 2dbm s SER 71 Ca 0.66 0.22 0.01 0.00 0.48 0.00 0.00 55.95 57.32 2dbm s SER 71 Cb -0.18 -1.76 0.02 0.00 0.10 0.00 0.00 66.02 64.20 2dbm s SER 71 CO 0.58 0.34 -0.19 -0.94 0.98 0.00 0.00 173.24 174.00 2dbm s SER 72 N -0.64 3.06 0.00 7.02 1.04 -1.26 -5.32 113.70 117.60 2dbm s SER 72 Ca 0.11 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2dbm s SER 72 Cb -0.12 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2dbm s SER 72 CO 0.02 0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.85