#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 -0.65 -1.03 1.61 0.01 -1.26 -5.10 113.70 107.28 2dbm s SER 2 Ca 0.00 0.74 -0.11 0.00 1.31 0.00 0.00 55.95 57.88 2dbm s SER 2 Cb 0.00 0.57 0.24 0.00 0.21 0.00 0.00 66.02 67.04 2dbm s SER 2 CO 0.00 -0.58 1.04 -0.44 0.41 0.00 0.00 173.24 173.67 2dbm s SER 3 N -1.12 7.11 0.16 2.44 0.01 -1.26 -4.94 113.70 116.10 2dbm s SER 3 Ca -0.10 -3.21 0.00 0.00 1.31 0.00 0.00 55.95 53.95 2dbm s SER 3 Cb -0.00 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2dbm s SER 3 CO 0.09 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2dbm n GLY 4 N 3.33 0.88 3.39 3.44 0.00 -1.26 -4.96 105.19 110.01 2dbm n GLY 4 Ca 0.22 -1.28 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 2dbm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbm s SER 5 N -4.00 -0.45 0.00 1.61 1.04 -1.26 -5.07 113.70 105.57 2dbm s SER 5 Ca 0.00 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2dbm s SER 5 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2dbm s SER 5 CO 0.00 -0.46 0.00 -0.24 0.98 0.00 0.00 173.24 173.52 2dbm n SER 6 N 1.45 0.68 0.00 7.02 2.88 -1.26 -5.17 113.62 119.21 2dbm n SER 6 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2dbm n SER 6 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 2.11 0.75 3.63 0.46 0.00 -1.26 -5.07 105.19 105.81 2dbm n GLY 7 Ca 0.00 -1.88 -0.43 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 -1.46 3.77 0.22 1.61 0.04 -1.26 -4.94 135.00 132.98 2dbm s PRO 8 Ca 0.00 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 2dbm s PRO 8 Cb 0.00 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 2dbm s PRO 8 CO 0.00 -1.33 0.14 0.00 0.04 0.00 0.00 177.00 175.85 2dbm s ARG 11 N -3.87 2.34 -0.17 0.00 3.52 -0.27 -2.52 118.95 117.98 2dbm s ARG 11 Ca 0.34 -0.92 -0.25 0.00 -0.13 0.00 0.00 55.73 54.77 2dbm s ARG 11 Cb 0.08 -2.10 -0.01 0.00 -1.56 0.00 0.00 34.95 31.35 2dbm s ARG 11 CO 0.14 0.47 0.84 0.00 -0.81 0.00 0.00 175.30 175.94 2dbm s ALA 12 N -0.38 3.51 -0.06 6.12 0.00 -1.15 -0.30 121.76 129.51 2dbm s ALA 12 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 2dbm s ALA 12 Cb -0.12 -3.23 -0.28 0.00 0.00 0.00 0.00 23.12 19.49 2dbm s ALA 12 CO 0.01 -0.64 0.63 -0.07 0.00 0.00 0.00 175.76 175.69 2dbm h LEU 13 N 8.30 0.44 0.00 0.00 3.38 -1.46 -0.07 115.31 125.90 2dbm h LEU 13 Ca -0.29 -0.75 -0.56 0.00 0.09 0.00 0.00 57.88 56.37 2dbm h LEU 13 Cb 1.13 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.61 2dbm h LEU 13 CO 0.84 1.65 -0.48 -1.22 0.09 0.00 0.00 178.44 179.32 2dbm n TYR 14 N -3.47 -0.03 -3.69 1.13 4.02 -1.25 -4.74 117.16 109.14 2dbm n TYR 14 Ca -0.24 -2.72 -0.36 0.00 -0.01 0.00 0.00 57.90 54.58 2dbm n TYR 14 Cb 1.06 0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 40.35 2dbm n TYR 14 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2dbm s ASP 15 N -3.54 6.33 0.29 7.72 1.11 -1.26 -2.36 116.67 124.96 2dbm s ASP 15 Ca 0.25 0.38 0.08 0.00 0.18 0.00 0.00 52.55 53.44 2dbm s ASP 15 Cb 0.01 -2.12 -0.06 0.00 1.07 0.00 0.00 42.92 41.82 2dbm s ASP 15 CO 0.17 0.20 -0.10 0.12 1.18 0.00 0.00 175.17 176.74 2dbm s PHE 16 N 0.10 2.11 0.02 4.23 5.36 -0.94 -4.98 117.98 123.88 2dbm s PHE 16 Ca 0.12 -0.57 0.03 0.00 -0.96 0.00 0.00 56.93 55.55 2dbm s PHE 16 Cb -0.12 -1.14 -0.02 0.00 -0.34 0.00 0.00 43.02 41.40 2dbm s PHE 16 CO 0.01 0.45 -0.10 -1.21 -1.46 0.00 0.00 175.22 172.91 2dbm s GLU 17 N -3.65 0.70 0.09 10.12 8.01 -1.26 -3.48 118.70 129.23 2dbm s GLU 17 Ca 0.30 -0.54 -0.31 0.00 0.01 0.00 0.00 54.97 54.43 2dbm s GLU 17 Cb 0.02 -0.64 -0.07 0.00 -4.31 0.00 0.00 34.13 29.13 2dbm s GLU 17 CO 0.13 0.16 1.38 -1.25 0.01 0.00 0.00 175.26 175.69 2dbm s PRO 18 N -0.81 4.32 -0.21 0.39 0.04 -1.26 -4.80 135.00 132.67 2dbm s PRO 18 Ca -0.00 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.16 2dbm s PRO 18 Cb -0.06 -3.31 -0.19 0.00 0.04 0.00 0.00 34.50 30.97 2dbm s PRO 18 CO 0.00 -0.45 -0.08 0.39 0.04 0.00 0.00 177.00 176.91 2dbm n GLU 19 N 4.20 0.78 -4.03 4.56 -0.58 -1.26 -5.02 120.64 119.29 2dbm n GLU 19 Ca 0.12 0.07 -0.08 0.00 -0.42 0.00 0.00 57.16 56.84 2dbm n GLU 19 Cb 0.43 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.73 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 -5.79 0.38 0.24 1.62 4.22 -1.26 -5.03 114.94 109.32 2dbm s ASN 20 Ca -0.21 -0.86 0.03 0.00 -2.14 0.00 0.00 52.86 49.69 2dbm s ASN 20 Cb 0.07 0.21 0.64 0.00 1.28 0.00 0.00 41.25 43.46 2dbm s ASN 20 CO 0.65 -0.58 1.20 -0.62 -2.04 0.00 0.00 177.10 175.70 2dbm n GLU 21 N 0.29 -0.06 -1.18 3.55 4.71 -1.26 -0.29 120.64 126.41 2dbm n GLU 21 Ca -0.16 1.13 -0.23 0.00 -0.01 0.00 0.00 57.16 57.89 2dbm n GLU 21 Cb 0.60 -1.83 -0.11 0.00 -1.01 0.00 0.00 31.44 29.10 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 -1.36 3.60 3.22 0.62 0.00 -1.26 -4.78 105.19 105.23 2dbm n GLY 22 Ca 0.19 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 1.14 0.35 -0.39 1.61 0.41 0.60 -4.34 118.70 118.08 2dbm s GLU 23 Ca 0.67 0.69 -0.02 0.00 -0.41 0.00 0.00 54.97 55.90 2dbm s GLU 23 Cb 0.27 -0.02 0.10 0.00 -1.78 0.00 0.00 34.13 32.71 2dbm s GLU 23 CO -0.04 -0.15 0.16 -1.17 -0.49 0.00 0.00 175.26 173.58 2dbm s LEU 24 N 1.21 5.08 0.31 1.80 2.96 -1.23 -4.76 118.68 124.04 2dbm s LEU 24 Ca -0.08 -2.00 -0.29 0.00 -0.22 0.00 0.00 54.13 51.53 2dbm s LEU 24 Cb -0.08 -1.79 -0.11 0.00 0.50 0.00 0.00 46.19 44.72 2dbm s LEU 24 CO -0.10 -0.50 1.46 -0.83 -1.32 0.00 0.00 176.35 175.06 2dbm s GLY 25 N 1.62 2.59 0.44 7.98 0.00 -1.26 -4.78 107.32 113.92 2dbm s GLY 25 Ca 0.08 1.43 0.03 0.00 0.00 0.00 0.00 44.72 46.26 2dbm s GLY 25 CO -0.05 2.26 0.05 -0.11 0.00 0.00 0.00 173.10 175.25 2dbm s PHE 26 N -0.55 1.95 -0.04 1.90 -0.12 -1.23 -4.96 117.98 114.94 2dbm s PHE 26 Ca 0.56 -1.01 -0.01 0.00 -0.05 0.00 0.00 56.93 56.42 2dbm s PHE 26 Cb -0.44 -1.47 0.03 0.00 -0.63 0.00 0.00 43.02 40.51 2dbm s PHE 26 CO 0.52 0.08 0.06 0.15 -0.05 0.00 0.00 175.22 175.98 2dbm s LYS 27 N -3.80 -0.05 0.04 1.99 3.01 -1.26 -2.22 119.74 117.45 2dbm s LYS 27 Ca 0.19 0.31 -0.26 0.00 -1.01 0.00 0.00 55.97 55.20 2dbm s LYS 27 Cb 0.04 -0.36 -0.14 0.00 -1.01 0.00 0.00 37.83 36.36 2dbm s LYS 27 CO 0.10 -0.25 0.65 -1.91 0.51 0.00 0.00 175.35 174.45 2dbm n GLU 28 N 4.77 0.00 0.00 1.68 2.13 -1.00 -0.12 120.64 128.10 2dbm n GLU 28 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 2dbm n GLU 28 Cb 0.50 -0.97 0.00 0.00 0.27 0.00 0.00 31.44 31.24 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 1.20 2.76 3.71 8.31 0.00 -0.04 -4.95 105.19 116.18 2dbm n GLY 29 Ca 0.14 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 0.28 6.73 -0.25 1.61 1.01 0.83 -4.67 116.67 122.21 2dbm s ASP 30 Ca 0.00 2.42 -0.19 0.00 0.71 0.00 0.00 52.55 55.49 2dbm s ASP 30 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 2dbm s ASP 30 CO 0.00 -0.74 0.56 -0.63 0.21 0.00 0.00 175.17 174.57 2dbm s ILE 31 N 1.38 5.04 -0.27 0.77 -1.09 -1.26 -2.92 121.20 122.85 2dbm s ILE 31 Ca 0.67 0.98 -0.11 0.00 -2.23 0.00 0.00 60.65 59.96 2dbm s ILE 31 Cb -0.39 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 2dbm s ILE 31 CO 0.30 0.07 0.20 -0.63 -1.23 0.00 0.00 174.94 173.66 2dbm s ILE 32 N 2.32 5.31 0.95 2.92 1.09 -1.05 -4.92 121.20 127.82 2dbm s ILE 32 Ca 0.23 0.21 -0.11 0.00 -1.10 0.00 0.00 60.65 59.89 2dbm s ILE 32 Cb -0.16 -3.54 0.13 0.00 -1.06 0.00 0.00 42.46 37.84 2dbm s ILE 32 CO 0.09 0.26 0.94 0.41 -0.10 0.00 0.00 174.94 176.54 2dbm n THR 33 N 4.89 0.00 -4.90 2.92 -1.04 -1.26 -2.15 114.28 112.75 2dbm n THR 33 Ca -0.14 -0.08 -0.28 0.00 -2.04 0.00 0.00 64.05 61.51 2dbm n THR 33 Cb 0.52 -0.90 -0.17 0.00 -1.82 0.00 0.00 70.33 67.96 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 -5.26 1.89 0.00 -4.42 1.43 -0.69 -3.93 118.68 107.70 2dbm s LEU 34 Ca 0.64 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 2dbm s LEU 34 Cb -0.22 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2dbm s LEU 34 CO 0.61 0.12 0.00 0.35 0.23 0.00 0.00 176.35 177.66 2dbm n THR 35 N 3.45 0.00 -3.84 5.49 -2.24 0.95 -4.78 114.28 113.32 2dbm n THR 35 Ca -0.20 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 2dbm n THR 35 Cb 0.52 -1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 -4.69 -0.16 -0.04 3.42 2.47 -1.10 -5.02 114.94 109.82 2dbm s ASN 36 Ca 0.00 -0.82 0.05 0.00 0.42 0.00 0.00 52.86 52.51 2dbm s ASN 36 Cb 0.00 0.78 -0.01 0.00 -1.45 0.00 0.00 41.25 40.57 2dbm s ASN 36 CO 0.00 -1.48 -0.18 -1.58 -3.72 0.00 0.00 177.10 170.14 2dbm s GLN 37 N -3.31 1.76 -0.19 0.43 0.74 -1.26 0.95 119.66 118.77 2dbm s GLN 37 Ca 0.13 -0.65 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 2dbm s GLN 37 Cb -0.06 -1.57 -0.10 0.00 1.10 0.00 0.00 33.01 32.38 2dbm s GLN 37 CO 0.09 0.30 -0.21 -0.89 -0.55 0.00 0.00 175.29 174.03 2dbm n ILE 38 N 2.97 1.09 -3.43 -2.34 -0.00 -1.26 -4.96 119.36 111.42 2dbm n ILE 38 Ca -0.17 -0.34 -0.16 0.00 -0.00 0.00 0.00 62.75 62.07 2dbm n ILE 38 Cb 0.53 -1.48 0.02 0.00 -0.00 0.00 0.00 39.64 38.71 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 -3.49 1.90 0.04 4.38 8.00 -1.26 -5.03 116.55 121.09 2dbm n ASP 39 Ca -0.36 -2.23 0.12 0.00 0.71 0.00 0.00 54.79 53.02 2dbm n ASP 39 Cb 0.81 -0.16 0.15 0.00 -0.02 0.00 0.00 41.12 41.90 2dbm n ASP 39 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2dbm n GLU 40 N -1.64 0.24 -0.09 -1.24 0.28 -1.26 -4.03 120.64 112.90 2dbm n GLU 40 Ca 0.05 0.05 0.02 0.00 -0.16 0.00 0.00 57.16 57.11 2dbm n GLU 40 Cb 0.44 -1.63 0.03 0.00 1.43 0.00 0.00 31.44 31.70 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 -1.97 1.16 -4.43 -1.84 3.02 -1.26 -5.04 115.26 104.91 2dbm n ASN 41 Ca 0.03 -1.90 -0.21 0.00 -0.03 0.00 0.00 54.58 52.47 2dbm n ASN 41 Cb 0.42 -0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.90 1.93 0.11 3.10 0.52 -1.26 0.21 118.94 122.65 2dbm s TRP 42 Ca 0.06 -0.77 -0.01 0.00 0.02 0.00 0.00 56.10 55.40 2dbm s TRP 42 Cb 0.05 -1.15 -0.04 0.00 -1.15 0.00 0.00 33.47 31.19 2dbm s TRP 42 CO 0.01 0.20 0.03 0.71 0.02 0.00 0.00 176.95 177.91 2dbm s TYR 43 N -3.10 0.78 -0.18 -1.98 2.02 -0.19 -4.29 117.35 110.40 2dbm s TYR 43 Ca 0.31 -1.18 0.00 0.00 -0.37 0.00 0.00 57.07 55.83 2dbm s TYR 43 Cb 0.05 -0.46 0.02 0.00 -0.40 0.00 0.00 41.96 41.17 2dbm s TYR 43 CO 0.12 -0.47 -0.18 -2.00 -1.57 0.00 0.00 175.55 171.45 2dbm s GLU 44 N -4.01 3.04 0.18 -0.62 2.12 0.27 -2.23 118.70 117.46 2dbm s GLU 44 Ca 0.19 -0.81 -0.00 0.00 0.36 0.00 0.00 54.97 54.72 2dbm s GLU 44 Cb 0.08 -2.62 0.00 0.00 0.26 0.00 0.00 34.13 31.85 2dbm s GLU 44 CO -0.01 -0.20 0.24 0.41 -0.54 0.00 0.00 175.26 175.16 2dbm n GLY 45 N 4.61 2.73 3.14 -1.50 0.00 -1.25 -0.03 105.19 112.88 2dbm n GLY 45 Ca -0.21 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.47 2.59 -0.08 1.61 -1.94 -1.26 -3.67 119.30 114.09 2dbm s MET 46 Ca 0.16 -0.71 -0.03 0.00 -1.71 0.00 0.00 55.69 53.40 2dbm s MET 46 Cb -0.00 -2.06 0.04 0.00 2.01 0.00 0.00 34.83 34.82 2dbm s MET 46 CO 0.12 0.06 0.16 -1.17 -0.01 0.00 0.00 175.02 174.17 2dbm s LEU 47 N 0.64 0.20 -1.46 -0.03 2.96 -0.04 -4.06 118.68 116.90 2dbm s LEU 47 Ca -0.13 0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.99 2dbm s LEU 47 Cb -0.16 0.31 0.05 0.00 0.50 0.00 0.00 46.19 46.89 2dbm s LEU 47 CO 0.04 -0.21 1.03 1.41 -1.32 0.00 0.00 176.35 177.29 2dbm n HIS 48 N 4.93 -2.45 -1.91 5.38 8.25 -1.26 -0.83 115.22 127.34 2dbm n HIS 48 Ca -0.12 0.94 -0.15 0.00 -0.26 0.00 0.00 57.72 58.12 2dbm n HIS 48 Cb 0.50 -4.36 -0.03 0.00 1.12 0.00 0.00 29.99 27.22 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 -1.76 0.57 3.10 -1.41 0.00 -1.26 -4.99 105.19 99.43 2dbm n GLY 49 Ca -0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.68 1.58 -0.26 1.61 3.76 -0.01 -5.12 115.29 114.17 2dbm s HIS 50 Ca 0.00 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.42 2dbm s HIS 50 Cb 0.00 -1.09 0.03 0.00 1.11 0.00 0.00 32.58 32.64 2dbm s HIS 50 CO 0.00 -0.18 -0.04 -1.54 -0.85 0.00 0.00 174.74 172.13 2dbm s SER 51 N 0.16 4.50 0.22 1.40 1.04 -1.26 -0.86 113.70 118.91 2dbm s SER 51 Ca -0.06 -0.98 -0.12 0.00 0.48 0.00 0.00 55.95 55.27 2dbm s SER 51 Cb -0.12 -1.68 -0.01 0.00 0.10 0.00 0.00 66.02 64.31 2dbm s SER 51 CO 0.02 -0.17 0.42 -0.83 0.98 0.00 0.00 173.24 173.67 2dbm s GLY 52 N 1.31 0.54 -0.11 7.32 0.00 -1.24 -4.96 107.32 110.18 2dbm s GLY 52 Ca -0.01 -0.89 -0.19 0.00 0.00 0.00 0.00 44.72 43.63 2dbm s GLY 52 CO -0.03 -0.69 0.50 -1.36 0.00 0.00 0.00 173.10 171.52 2dbm s PHE 53 N -4.01 3.53 0.16 1.90 0.08 -1.26 -3.84 117.98 114.55 2dbm s PHE 53 Ca 0.22 0.94 0.09 0.00 0.12 0.00 0.00 56.93 58.30 2dbm s PHE 53 Cb 0.01 -2.57 -0.04 0.00 -0.57 0.00 0.00 43.02 39.84 2dbm s PHE 53 CO 0.07 0.17 -0.20 -0.59 -0.10 0.00 0.00 175.22 174.57 2dbm s PHE 54 N 0.59 1.95 0.61 0.36 -0.71 -0.95 -3.54 117.98 116.29 2dbm s PHE 54 Ca 0.27 -0.43 -0.17 0.00 -1.04 0.00 0.00 56.93 55.56 2dbm s PHE 54 Cb -0.15 -0.98 -0.03 0.00 -1.21 0.00 0.00 43.02 40.65 2dbm s PHE 54 CO 0.11 0.36 1.12 -1.25 -1.34 0.00 0.00 175.22 174.22 2dbm s PRO 55 N -2.65 3.05 -0.08 1.99 0.04 -1.26 -1.02 135.00 135.07 2dbm s PRO 55 Ca 0.16 1.49 0.17 0.00 0.04 0.00 0.00 61.00 62.86 2dbm s PRO 55 Cb -0.07 -1.98 -0.23 0.00 0.04 0.00 0.00 34.50 32.27 2dbm s PRO 55 CO 0.07 -1.07 0.44 -0.89 0.04 0.00 0.00 177.00 175.59 2dbm n ILE 56 N -1.92 1.21 0.20 0.56 5.41 0.13 -3.80 119.36 121.16 2dbm n ILE 56 Ca 0.11 -0.76 0.02 0.00 1.00 0.00 0.00 62.75 63.12 2dbm n ILE 56 Cb 0.52 -0.59 0.11 0.00 -0.71 0.00 0.00 39.64 38.96 2dbm n ILE 56 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2dbm n ASN 57 N -2.78 0.00 -0.07 4.38 3.02 -1.26 -2.05 115.26 116.50 2dbm n ASN 57 Ca -0.20 0.32 -0.09 0.00 -0.03 0.00 0.00 54.58 54.58 2dbm n ASN 57 Cb 0.98 -0.36 -0.08 0.00 -0.61 0.00 0.00 39.78 39.71 2dbm n ASN 57 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2dbm n TYR 58 N -1.36 0.00 -4.43 3.10 4.01 -1.26 -4.98 117.16 112.25 2dbm n TYR 58 Ca 0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.42 2dbm n TYR 58 Cb 0.04 -0.59 -0.12 0.00 -0.31 0.00 0.00 39.34 38.37 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 -2.30 3.90 0.30 -0.72 -7.23 -0.87 -1.07 120.40 112.41 2dbm s VAL 59 Ca -0.16 -0.36 -0.11 0.00 -1.81 0.00 0.00 61.98 59.54 2dbm s VAL 59 Cb 0.05 -2.69 -0.07 0.00 0.56 0.00 0.00 36.38 34.22 2dbm s VAL 59 CO 0.40 0.51 0.66 -1.83 -0.31 0.00 0.00 175.10 174.53 2dbm s GLU 60 N 0.15 3.85 -0.32 4.82 -1.05 0.59 -4.67 118.70 122.08 2dbm s GLU 60 Ca -0.01 0.42 -0.11 0.00 -0.15 0.00 0.00 54.97 55.12 2dbm s GLU 60 Cb -0.14 -2.52 -0.02 0.00 -0.44 0.00 0.00 34.13 31.01 2dbm s GLU 60 CO 0.03 0.18 0.19 0.42 0.95 0.00 0.00 175.26 177.03 2dbm s ILE 61 N -2.01 5.01 -0.16 1.83 -1.09 -1.26 -1.12 121.20 122.41 2dbm s ILE 61 Ca 0.50 -0.22 -0.06 0.00 -2.23 0.00 0.00 60.65 58.64 2dbm s ILE 61 Cb -0.11 -3.52 -0.24 0.00 -1.58 0.00 0.00 42.46 37.01 2dbm s ILE 61 CO 0.23 0.08 0.23 0.18 -1.23 0.00 0.00 174.94 174.42 2dbm n LEU 62 N 5.05 2.64 -4.16 2.97 4.77 -1.24 -4.82 117.00 122.21 2dbm n LEU 62 Ca -0.13 0.16 -0.34 0.00 -0.03 0.00 0.00 56.01 55.66 2dbm n LEU 62 Cb 0.50 -1.07 -0.14 0.00 -2.33 0.00 0.00 43.42 40.39 2dbm n LEU 62 CO 0.35 0.83 -0.37 -0.69 -1.33 0.00 0.00 177.39 176.17 2dbm s VAL 63 N -2.54 2.85 0.16 4.08 1.01 -1.25 -5.06 120.40 119.66 2dbm s VAL 63 Ca -0.26 -1.42 -0.31 0.00 0.00 0.00 0.00 61.98 59.99 2dbm s VAL 63 Cb 0.07 -2.64 -0.11 0.00 0.00 0.00 0.00 36.38 33.70 2dbm s VAL 63 CO 0.72 -0.09 1.79 0.00 0.00 0.00 0.00 175.10 177.51 2dbm s ALA 64 N 1.23 3.84 0.93 5.51 0.00 -1.26 -4.40 121.76 127.62 2dbm s ALA 64 Ca -0.06 1.51 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 2dbm s ALA 64 Cb -0.20 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 2dbm s ALA 64 CO -0.02 -1.09 0.06 1.28 0.00 0.00 0.00 175.76 175.99 2dbm n LEU 65 N 4.94 -1.86 0.00 0.00 4.77 -1.26 -4.82 117.00 118.77 2dbm n LEU 65 Ca 0.17 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.54 2dbm n LEU 65 Cb 0.37 -1.07 0.31 0.00 -2.33 0.00 0.00 43.42 40.70 2dbm n LEU 65 CO 0.65 -4.30 0.72 -0.81 -1.33 0.00 0.00 177.39 172.32 2dbm n PRO 66 N -0.34 0.03 -3.03 3.23 -0.04 -1.26 -4.65 135.00 128.95 2dbm n PRO 66 Ca 0.05 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.33 2dbm n PRO 66 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.93 3.29 -0.11 0.54 2.46 -1.26 -4.94 115.29 112.34 2dbm s HIS 67 Ca 0.08 0.94 -0.11 0.00 0.47 0.00 0.00 55.06 56.44 2dbm s HIS 67 Cb 0.09 -2.92 -0.04 0.00 -0.13 0.00 0.00 32.58 29.59 2dbm s HIS 67 CO 0.25 -0.35 -0.21 0.45 -2.47 0.00 0.00 174.74 172.41 2dbm n SER 68 N 5.82 1.18 -0.01 9.88 2.88 -1.26 -5.11 113.62 127.00 2dbm n SER 68 Ca 0.02 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2dbm n SER 68 Cb 0.48 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 2dbm n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbm n GLY 69 N 1.52 -1.51 3.77 0.46 0.00 -1.26 -4.86 105.19 103.30 2dbm n GLY 69 Ca -0.08 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 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 4.43 -0.70 1.61 0.04 -1.26 -4.95 135.00 134.16 2dbm s PRO 70 Ca 0.00 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2dbm s PRO 70 Cb 0.00 -3.08 0.40 0.00 0.04 0.00 0.00 34.50 31.86 2dbm s PRO 70 CO 0.00 -0.06 1.88 -1.13 0.04 0.00 0.00 177.00 177.73 2dbm n SER 71 N 0.88 7.13 -4.20 6.66 3.41 -1.26 -5.03 113.62 121.20 2dbm n SER 71 Ca -0.00 -3.80 -0.34 0.00 -0.26 0.00 0.00 58.87 54.46 2dbm n SER 71 Cb 0.43 -0.92 0.12 0.00 -0.26 0.00 0.00 64.21 63.58 2dbm n SER 71 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dbm n SER 72 N -0.68 -2.70 0.00 4.04 2.88 -1.26 -5.33 113.62 110.57 2dbm n SER 72 Ca 0.55 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2dbm n SER 72 Cb 0.48 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2dbm n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42