#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cub n SER 2 N 0.00 2.24 -3.61 1.61 3.41 -1.26 -4.99 113.62 111.02 2cub n SER 2 Ca 0.00 -1.63 -0.02 0.00 -0.26 0.00 0.00 58.87 56.96 2cub n SER 2 Cb 0.00 0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 2cub n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cub s SER 3 N -2.26 -0.12 0.00 4.04 0.15 -1.26 -5.19 113.70 109.07 2cub s SER 3 Ca 0.24 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2cub s SER 3 Cb 0.19 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2cub s SER 3 CO 0.44 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2cub n GLY 4 N -0.30 4.25 4.15 9.45 0.00 -1.26 -4.97 105.19 116.50 2cub n GLY 4 Ca -0.05 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 2cub n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cub n SER 5 N 0.00 -0.13 -4.15 1.61 7.64 -1.26 -4.90 113.62 112.43 2cub n SER 5 Ca 0.00 -1.13 -0.11 0.00 1.01 0.00 0.00 58.87 58.65 2cub n SER 5 Cb 0.00 -1.41 -0.10 0.00 -1.01 0.00 0.00 64.21 61.68 2cub n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cub s SER 6 N -3.74 1.06 0.00 6.43 0.15 -1.26 -5.05 113.70 111.29 2cub s SER 6 Ca 0.30 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2cub s SER 6 Cb -0.17 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2cub s SER 6 CO 0.90 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.50 2cub n GLY 7 N 0.13 0.03 3.89 9.45 0.00 -1.26 -5.11 105.19 112.32 2cub n GLY 7 Ca -0.13 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2cub n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cub s ASP 8 N -1.61 6.51 0.00 1.61 1.11 -1.26 -4.98 116.67 118.05 2cub s ASP 8 Ca 0.00 0.61 0.14 0.00 0.18 0.00 0.00 52.55 53.48 2cub s ASP 8 Cb 0.00 -2.10 0.68 0.00 1.07 0.00 0.00 42.92 42.57 2cub s ASP 8 CO 0.00 0.08 1.43 -0.81 1.18 0.00 0.00 175.17 177.05 2cub n PRO 9 N 0.26 0.11 0.00 8.23 -0.04 -1.26 -4.97 135.00 137.33 2cub n PRO 9 Ca -0.04 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2cub n PRO 9 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2cub n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cub n GLY 10 N -0.04 1.26 2.48 0.55 0.00 -1.26 -4.92 105.19 103.26 2cub n GLY 10 Ca 0.05 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 2cub n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cub n GLU 11 N 12.23 -2.35 -4.20 1.61 -0.58 -1.26 -3.08 120.64 123.01 2cub n GLU 11 Ca 0.00 0.75 -0.34 0.00 -0.42 0.00 0.00 57.16 57.15 2cub n GLU 11 Cb 0.00 -5.16 -0.07 0.00 -0.57 0.00 0.00 31.44 25.64 2cub n GLU 11 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2cub n ARG 12 N -2.86 -0.75 -1.18 3.49 0.63 -1.26 -4.57 116.66 110.16 2cub n ARG 12 Ca -0.15 0.07 -0.54 0.00 -0.92 0.00 0.00 57.85 56.31 2cub n ARG 12 Cb 0.62 -3.12 -0.10 0.00 0.45 0.00 0.00 32.46 30.31 2cub n ARG 12 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2cub n LEU 13 N -4.56 0.73 -4.36 6.15 4.77 -1.18 -4.83 117.00 113.73 2cub n LEU 13 Ca -0.26 0.68 -0.18 0.00 -0.03 0.00 0.00 56.01 56.21 2cub n LEU 13 Cb 0.63 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.83 2cub n LEU 13 CO 0.79 -0.69 -0.25 -0.72 -1.33 0.00 0.00 177.39 175.19 2cub s TYR 14 N 4.88 1.64 -1.64 -1.77 -0.85 -1.26 -1.21 117.35 117.15 2cub s TYR 14 Ca 1.04 -1.17 -0.16 0.00 -0.52 0.00 0.00 57.07 56.26 2cub s TYR 14 Cb -1.33 -0.98 0.13 0.00 0.38 0.00 0.00 41.96 40.16 2cub s TYR 14 CO 0.61 -0.29 0.82 -0.25 -1.52 0.00 0.00 175.55 174.92 2cub n ASP 15 N -0.62 -3.55 0.06 -0.18 9.92 0.28 -4.87 116.55 117.58 2cub n ASP 15 Ca -0.01 -0.95 -0.10 0.00 -0.53 0.00 0.00 54.79 53.20 2cub n ASP 15 Cb 0.66 -3.08 -0.07 0.00 -0.64 0.00 0.00 41.12 37.98 2cub n ASP 15 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2cub h LEU 16 N -1.68 -0.20 1.03 0.64 4.07 -1.60 -3.48 115.31 114.10 2cub h LEU 16 Ca -0.59 -0.32 -0.19 0.00 0.08 0.00 0.00 57.88 56.85 2cub h LEU 16 Cb 1.38 0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.17 2cub h LEU 16 CO 0.74 0.35 -0.26 0.59 -1.08 0.00 0.00 178.44 178.78 2cub n ASN 17 N -4.93 -3.43 -4.63 -0.43 4.13 0.25 -4.99 115.26 101.23 2cub n ASN 17 Ca -0.07 -0.05 -0.41 0.00 1.68 0.00 0.00 54.58 55.73 2cub n ASN 17 Cb 0.26 -2.59 -0.06 0.00 -1.54 0.00 0.00 39.78 35.85 2cub n ASN 17 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2cub s MET 18 N -4.67 4.11 -0.09 3.52 -1.94 -0.73 -4.78 119.30 114.73 2cub s MET 18 Ca 0.04 0.64 -0.30 0.00 -1.71 0.00 0.00 55.69 54.37 2cub s MET 18 Cb -0.02 -3.66 -0.04 0.00 2.01 0.00 0.00 34.83 33.12 2cub s MET 18 CO 0.05 -0.46 1.52 -1.25 -0.01 0.00 0.00 175.02 174.88 2cub s PRO 19 N 2.62 4.20 0.41 2.03 0.04 -1.26 -0.41 135.00 142.63 2cub s PRO 19 Ca 0.29 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.41 2cub s PRO 19 Cb -0.15 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 2cub s PRO 19 CO 0.08 -0.79 0.23 0.00 0.04 0.00 0.00 177.00 176.56 2cub s ALA 20 N 3.82 3.72 -0.20 8.56 0.00 0.94 -1.93 121.76 136.67 2cub s ALA 20 Ca 0.67 -2.04 0.01 0.00 0.00 0.00 0.00 51.96 50.60 2cub s ALA 20 Cb -0.29 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.30 2cub s ALA 20 CO 0.25 -0.18 -0.08 -0.47 0.00 0.00 0.00 175.76 175.28 2cub s TYR 21 N -2.56 2.29 -0.50 0.00 5.04 0.14 -1.25 117.35 120.52 2cub s TYR 21 Ca 0.43 -1.56 -0.27 0.00 -2.44 0.00 0.00 57.07 53.23 2cub s TYR 21 Cb 0.02 -1.57 -0.04 0.00 0.35 0.00 0.00 41.96 40.72 2cub s TYR 21 CO 0.24 -0.73 2.07 0.08 -1.34 0.00 0.00 175.55 175.86 2cub s VAL 22 N 1.43 3.23 0.15 3.14 1.01 -0.98 -0.74 120.40 127.64 2cub s VAL 22 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2cub s VAL 22 Cb -0.17 -3.51 -0.17 0.00 0.00 0.00 0.00 36.38 32.53 2cub s VAL 22 CO -0.07 -0.46 1.34 0.11 0.00 0.00 0.00 175.10 176.02 2cub h LYS 23 N 16.26 0.24 -5.33 2.72 1.57 0.12 -1.80 116.57 130.36 2cub h LYS 23 Ca -0.28 -0.28 -0.51 0.00 -1.87 0.00 0.00 60.65 57.71 2cub h LYS 23 Cb 1.21 0.08 -0.30 0.00 0.08 0.00 0.00 32.23 33.30 2cub h LYS 23 CO 1.15 1.01 -0.82 -0.06 -0.57 0.00 0.00 179.45 180.16 2cub s PHE 24 N -3.17 1.42 -0.15 -1.35 0.08 -0.87 -4.69 117.98 109.24 2cub s PHE 24 Ca -0.03 -0.31 -0.29 0.00 0.12 0.00 0.00 56.93 56.41 2cub s PHE 24 Cb 0.10 -0.93 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 2cub s PHE 24 CO 0.84 -0.06 1.55 0.54 -0.10 0.00 0.00 175.22 177.98 2cub s ASN 25 N -0.21 6.62 -0.15 1.36 2.20 -1.26 -4.36 114.94 119.14 2cub s ASN 25 Ca 0.03 1.86 -0.09 0.00 -0.94 0.00 0.00 52.86 53.71 2cub s ASN 25 Cb -0.08 -2.53 -0.05 0.00 -2.00 0.00 0.00 41.25 36.60 2cub s ASN 25 CO 0.00 -1.02 0.16 -0.47 -2.94 0.00 0.00 177.10 172.83 2cub s TYR 26 N 4.38 3.52 -0.45 1.54 6.14 -0.81 -4.91 117.35 126.76 2cub s TYR 26 Ca 0.68 0.49 -0.09 0.00 0.64 0.00 0.00 57.07 58.79 2cub s TYR 26 Cb -0.27 -2.07 0.10 0.00 0.42 0.00 0.00 41.96 40.14 2cub s TYR 26 CO 0.26 0.53 0.31 0.00 0.64 0.00 0.00 175.55 177.28 2cub s MET 27 N -0.39 2.53 0.42 4.97 0.23 -1.26 -1.55 119.30 124.25 2cub s MET 27 Ca 0.13 -1.63 -0.16 0.00 -1.03 0.00 0.00 55.69 53.00 2cub s MET 27 Cb -0.12 -3.86 -0.09 0.00 -1.53 0.00 0.00 34.83 29.23 2cub s MET 27 CO 0.02 -1.09 0.87 0.00 -2.03 0.00 0.00 175.02 172.80 2cub s ALA 28 N 1.39 3.18 0.00 3.16 0.00 -1.26 -4.98 121.76 123.24 2cub s ALA 28 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2cub s ALA 28 Cb -0.25 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2cub s ALA 28 CO 0.00 0.05 0.00 0.39 0.00 0.00 0.00 175.76 176.21 2cub n GLU 29 N -0.96 2.58 -4.06 0.00 1.02 -1.26 -4.87 120.64 113.09 2cub n GLU 29 Ca 0.05 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.84 2cub n GLU 29 Cb 0.54 -0.86 -0.07 0.00 -0.02 0.00 0.00 31.44 31.03 2cub n GLU 29 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2cub s ARG 30 N -1.66 3.23 0.42 3.49 0.52 -1.26 -4.99 118.95 118.71 2cub s ARG 30 Ca 0.00 -0.32 0.22 0.00 -0.52 0.00 0.00 55.73 55.11 2cub s ARG 30 Cb 0.00 -2.99 1.19 0.00 0.52 0.00 0.00 34.95 33.67 2cub s ARG 30 CO 0.00 0.71 1.77 1.49 0.02 0.00 0.00 175.30 179.29 2cub h GLU 31 N 4.60 0.30 -0.11 3.54 4.57 -1.98 0.74 114.58 126.24 2cub h GLU 31 Ca -0.52 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 57.57 2cub h GLU 31 Cb 1.20 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2cub h GLU 31 CO 0.60 0.20 -0.26 -0.44 -1.18 0.00 0.00 179.01 177.93 2cub h ASP 32 N 0.31 0.20 -3.70 1.04 3.32 -1.94 -3.44 116.42 112.21 2cub h ASP 32 Ca 0.60 -0.06 -0.50 0.00 0.02 0.00 0.00 57.03 57.10 2cub h ASP 32 Cb 1.68 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 41.15 2cub h ASP 32 CO -0.26 0.47 0.09 -1.61 -1.72 0.00 0.00 179.24 176.20 2cub s GLU 33 N -4.44 4.01 -0.02 3.56 2.02 0.26 0.15 118.70 124.23 2cub s GLU 33 Ca -0.05 0.66 0.05 0.00 0.02 0.00 0.00 54.97 55.66 2cub s GLU 33 Cb 0.15 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 2cub s GLU 33 CO 0.74 0.18 -0.16 -1.17 0.02 0.00 0.00 175.26 174.87 2cub s LEU 34 N -2.90 2.64 -0.50 1.80 2.96 -1.16 -4.56 118.68 116.97 2cub s LEU 34 Ca 0.53 -0.27 -0.23 0.00 -0.22 0.00 0.00 54.13 53.94 2cub s LEU 34 Cb -0.11 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.09 2cub s LEU 34 CO 0.18 0.32 0.82 -0.94 -1.32 0.00 0.00 176.35 175.41 2cub s SER 35 N -0.90 6.35 0.58 3.68 1.04 -1.26 -4.29 113.70 118.90 2cub s SER 35 Ca 0.12 -0.35 -0.09 0.00 0.48 0.00 0.00 55.95 56.11 2cub s SER 35 Cb -0.11 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2cub s SER 35 CO 0.02 -1.03 0.96 -0.76 0.98 0.00 0.00 173.24 173.40 2cub s LEU 36 N 3.43 3.32 -0.10 2.42 1.43 -0.60 -4.88 118.68 123.71 2cub s LEU 36 Ca 0.27 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2cub s LEU 36 Cb -0.14 -4.21 0.02 0.00 0.03 0.00 0.00 46.19 41.90 2cub s LEU 36 CO 0.19 -0.83 -0.07 -0.63 0.23 0.00 0.00 176.35 175.24 2cub s ILE 37 N -3.05 0.94 0.04 -0.59 1.01 -1.26 -1.92 121.20 116.35 2cub s ILE 37 Ca 0.53 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 2cub s ILE 37 Cb -0.11 -0.95 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 2cub s ILE 37 CO 0.51 0.34 1.94 -0.75 0.00 0.00 0.00 174.94 176.98 2cub s LYS 38 N 1.51 4.14 0.00 2.79 2.20 -1.26 -2.12 119.74 127.01 2cub s LYS 38 Ca 0.01 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 2cub s LYS 38 Cb -0.13 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 2cub s LYS 38 CO -0.05 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 174.41 2cub n GLY 39 N 4.49 1.12 2.52 5.54 0.00 -0.67 -4.93 105.19 113.26 2cub n GLY 39 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2cub n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cub n THR 40 N -1.70 0.00 -4.20 2.61 -2.24 -0.90 -5.01 114.28 102.83 2cub n THR 40 Ca 0.00 -1.68 -0.21 0.00 -2.27 0.00 0.00 64.05 59.89 2cub n THR 40 Cb 0.00 0.38 -0.16 0.00 -2.10 0.00 0.00 70.33 68.44 2cub n THR 40 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2cub s LYS 41 N -3.25 0.99 0.43 -0.78 2.20 -1.26 -2.31 119.74 115.74 2cub s LYS 41 Ca 0.02 -0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.55 2cub s LYS 41 Cb 0.00 -0.96 -0.04 0.00 -1.51 0.00 0.00 37.83 35.31 2cub s LYS 41 CO 0.02 -0.08 0.19 0.14 -0.36 0.00 0.00 175.35 175.26 2cub s VAL 42 N 0.95 2.23 -0.28 4.02 -7.23 -0.38 -4.93 120.40 114.78 2cub s VAL 42 Ca -0.10 -1.69 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 2cub s VAL 42 Cb -0.14 -2.91 0.07 0.00 0.56 0.00 0.00 36.38 33.95 2cub s VAL 42 CO 0.00 0.00 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.09 2cub s ILE 43 N -2.62 2.20 0.11 -0.62 -1.09 -1.01 -0.04 121.20 118.13 2cub s ILE 43 Ca 0.39 -1.83 -0.31 0.00 -2.23 0.00 0.00 60.65 56.68 2cub s ILE 43 Cb 0.03 -2.39 -0.08 0.00 -1.58 0.00 0.00 42.46 38.45 2cub s ILE 43 CO 0.22 -0.18 1.34 -0.69 -1.23 0.00 0.00 174.94 174.40 2cub s VAL 44 N 1.05 3.45 -0.06 2.92 1.01 0.45 -0.95 120.40 128.27 2cub s VAL 44 Ca -0.04 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.05 2cub s VAL 44 Cb -0.20 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 2cub s VAL 44 CO -0.06 0.09 0.03 0.23 0.00 0.00 0.00 175.10 175.39 2cub n MET 45 N 3.83 2.79 -3.89 2.72 2.81 0.96 0.88 117.12 127.23 2cub n MET 45 Ca 0.10 -0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.89 2cub n MET 45 Cb 0.43 -1.16 -0.09 0.00 -0.71 0.00 0.00 33.22 31.69 2cub n MET 45 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2cub s GLU 46 N -2.17 0.58 -0.04 0.03 2.12 0.32 0.98 118.70 120.53 2cub s GLU 46 Ca -0.03 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.71 2cub s GLU 46 Cb 0.02 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.65 2cub s GLU 46 CO 0.25 -0.15 -0.08 0.15 -0.54 0.00 0.00 175.26 174.90 2cub s LYS 47 N -2.18 0.97 -0.31 4.30 1.02 -0.35 -0.36 119.74 122.83 2cub s LYS 47 Ca -0.08 -0.24 -0.10 0.00 0.02 0.00 0.00 55.97 55.57 2cub s LYS 47 Cb -0.03 -0.90 -0.01 0.00 -0.52 0.00 0.00 37.83 36.36 2cub s LYS 47 CO -0.02 0.03 0.17 0.00 -0.92 0.00 0.00 175.35 174.61 2cub n SER 49 N 5.01 0.07 -0.20 0.00 7.64 -1.26 0.11 113.62 124.99 2cub n SER 49 Ca -0.14 1.35 -0.02 0.00 1.01 0.00 0.00 58.87 61.07 2cub n SER 49 Cb 0.50 -0.57 0.04 0.00 -1.01 0.00 0.00 64.21 63.17 2cub n SER 49 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2cub h ASP 50 N 0.00 -0.75 0.00 6.43 3.32 -1.98 -3.46 116.42 119.98 2cub h ASP 50 Ca 0.57 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.82 2cub h ASP 50 Cb 1.36 0.44 0.00 0.00 0.22 0.00 0.00 39.33 41.35 2cub h ASP 50 CO -0.70 -0.24 0.00 0.61 -1.72 0.00 0.00 179.24 177.19 2cub n GLY 51 N -1.43 0.50 3.73 2.75 0.00 0.29 -5.13 105.19 105.90 2cub n GLY 51 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2cub n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cub s TRP 52 N 0.00 3.52 0.27 1.61 0.52 -1.23 -3.50 118.94 120.13 2cub s TRP 52 Ca 0.00 1.50 0.08 0.00 0.02 0.00 0.00 56.10 57.71 2cub s TRP 52 Cb 0.00 -3.34 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 2cub s TRP 52 CO 0.00 -0.88 0.09 -1.58 0.02 0.00 0.00 176.95 174.60 2cub s TRP 53 N 0.05 2.86 -0.24 -1.98 0.52 0.67 -0.76 118.94 120.06 2cub s TRP 53 Ca 0.52 -0.20 -0.01 0.00 0.02 0.00 0.00 56.10 56.43 2cub s TRP 53 Cb -0.30 -1.33 0.07 0.00 -1.15 0.00 0.00 33.47 30.76 2cub s TRP 53 CO 0.34 0.55 0.02 0.50 0.02 0.00 0.00 176.95 178.38 2cub s ARG 54 N -3.76 1.01 0.00 4.98 3.52 0.52 0.07 118.95 125.29 2cub s ARG 54 Ca 0.33 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 2cub s ARG 54 Cb -0.07 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 2cub s ARG 54 CO 0.22 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 2cub n GLY 55 N 4.85 5.54 3.22 8.12 0.00 -1.15 -0.02 105.19 125.75 2cub n GLY 55 Ca -0.08 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 43.94 2cub n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cub s SER 56 N 0.12 1.74 -0.28 1.61 0.15 -0.13 -2.67 113.70 114.25 2cub s SER 56 Ca 0.00 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2cub s SER 56 Cb 0.00 -0.02 0.17 0.00 -1.71 0.00 0.00 66.02 64.46 2cub s SER 56 CO 0.00 -0.25 0.52 -0.47 1.20 0.00 0.00 173.24 174.23 2cub s TYR 57 N -2.68 -1.37 -0.87 3.44 5.04 -0.15 -2.42 117.35 118.35 2cub s TYR 57 Ca 0.11 1.21 -0.05 0.00 -2.44 0.00 0.00 57.07 55.90 2cub s TYR 57 Cb -0.01 0.29 0.01 0.00 0.35 0.00 0.00 41.96 42.59 2cub s TYR 57 CO 0.01 -0.88 0.61 -1.71 -1.34 0.00 0.00 175.55 172.24 2cub n ASN 58 N 5.40 -4.57 0.00 4.32 2.85 -1.26 -2.34 115.26 119.66 2cub n ASN 58 Ca -0.01 -0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.19 2cub n ASN 58 Cb 0.51 -3.25 0.00 0.00 1.24 0.00 0.00 39.78 38.28 2cub n ASN 58 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2cub n GLY 59 N -1.36 2.31 3.89 8.20 0.00 -1.26 -5.02 105.19 111.95 2cub n GLY 59 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2cub n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cub s GLN 60 N -0.27 3.60 -0.07 1.61 -0.21 -0.99 -5.10 119.66 118.24 2cub s GLN 60 Ca 0.00 0.34 -0.04 0.00 0.02 0.00 0.00 55.36 55.68 2cub s GLN 60 Cb 0.00 -2.33 0.03 0.00 1.00 0.00 0.00 33.01 31.71 2cub s GLN 60 CO 0.00 -0.23 0.16 0.08 -2.12 0.00 0.00 175.29 173.19 2cub s VAL 61 N -2.73 -0.03 0.00 1.09 1.01 -1.26 -0.97 120.40 117.50 2cub s VAL 61 Ca 0.49 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2cub s VAL 61 Cb -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2cub s VAL 61 CO 0.43 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2cub n GLY 62 N 3.85 2.14 3.26 4.51 0.00 -1.09 -4.83 105.19 113.03 2cub n GLY 62 Ca -0.22 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 2cub n GLY 62 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cub s TRP 63 N -4.67 2.84 0.05 1.61 0.52 0.40 -2.92 118.94 116.76 2cub s TRP 63 Ca 0.00 -1.08 0.03 0.00 0.02 0.00 0.00 56.10 55.07 2cub s TRP 63 Cb 0.00 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.34 2cub s TRP 63 CO 0.00 -0.53 -0.10 -0.59 0.02 0.00 0.00 176.95 175.75 2cub s PHE 64 N 1.05 0.88 -0.24 -1.98 -0.12 0.11 -2.96 117.98 114.72 2cub s PHE 64 Ca -0.01 -0.46 -0.29 0.00 -0.05 0.00 0.00 56.93 56.12 2cub s PHE 64 Cb -0.15 -0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 41.71 2cub s PHE 64 CO -0.03 -0.03 1.62 -1.25 -0.05 0.00 0.00 175.22 175.48 2cub s PRO 65 N -1.55 3.75 0.62 1.99 0.04 -1.26 -0.24 135.00 138.35 2cub s PRO 65 Ca -0.06 1.61 0.30 0.00 0.04 0.00 0.00 61.00 62.88 2cub s PRO 65 Cb -0.10 -4.05 1.59 0.00 0.04 0.00 0.00 34.50 31.99 2cub s PRO 65 CO 0.01 -1.35 1.96 0.66 0.04 0.00 0.00 177.00 178.32 2cub h SER 66 N 10.90 0.00 -0.05 6.66 4.64 -1.89 0.14 113.55 133.95 2cub h SER 66 Ca -0.33 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2cub h SER 66 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2cub h SER 66 CO 1.01 0.00 0.04 -1.13 -0.87 0.00 0.00 176.83 175.88 2cub h ASN 67 N 0.00 0.00 0.94 4.97 -1.24 -1.89 -1.00 115.58 117.36 2cub h ASN 67 Ca 0.11 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.90 2cub h ASN 67 Cb 0.82 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.85 2cub h ASN 67 CO -0.00 0.00 -1.06 1.88 -1.29 0.00 0.00 177.43 176.96 2cub h TYR 68 N 0.00 0.04 -1.31 0.67 -1.99 -1.07 -3.47 116.97 109.85 2cub h TYR 68 Ca 0.02 -0.03 -0.49 0.00 2.00 0.00 0.00 58.73 60.22 2cub h TYR 68 Cb 0.10 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 2cub h TYR 68 CO 0.00 1.03 -0.33 0.14 -0.00 0.00 0.00 178.16 179.00 2cub s VAL 69 N -2.70 2.52 -0.05 -2.88 -7.23 -0.38 0.83 120.40 110.52 2cub s VAL 69 Ca 0.00 -1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 2cub s VAL 69 Cb 0.10 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 34.25 2cub s VAL 69 CO 0.83 0.00 0.12 0.28 -0.31 0.00 0.00 175.10 176.01 2cub s THR 70 N -2.52 -0.01 -0.41 5.32 -1.32 0.08 -4.82 115.64 111.97 2cub s THR 70 Ca 0.48 0.05 -0.27 0.00 -1.21 0.00 0.00 61.69 60.74 2cub s THR 70 Cb -0.04 -0.18 -0.06 0.00 -1.51 0.00 0.00 72.50 70.71 2cub s THR 70 CO 0.29 0.02 2.29 -1.61 -2.21 0.00 0.00 174.62 173.40 2cub s GLU 71 N 0.33 2.50 -0.38 7.08 2.02 -1.26 0.24 118.70 129.23 2cub s GLU 71 Ca -0.02 1.56 -0.25 0.00 0.02 0.00 0.00 54.97 56.27 2cub s GLU 71 Cb -0.03 -4.49 0.01 0.00 0.10 0.00 0.00 34.13 29.72 2cub s GLU 71 CO -0.01 -2.83 0.89 -2.00 0.02 0.00 0.00 175.26 171.33 2cub s GLU 72 N 7.49 3.78 0.00 1.61 2.56 -0.81 -4.79 118.70 128.54 2cub s GLU 72 Ca 0.96 0.46 0.00 0.00 0.00 0.00 0.00 54.97 56.39 2cub s GLU 72 Cb -0.22 -3.82 0.00 0.00 2.00 0.00 0.00 34.13 32.09 2cub s GLU 72 CO 0.29 -0.95 0.00 0.41 -0.56 0.00 0.00 175.26 174.45 2cub n GLY 73 N 4.48 -0.49 3.83 -1.50 0.00 -1.26 -4.72 105.19 105.53 2cub n GLY 73 Ca 0.06 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2cub n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cub s ASP 74 N -4.00 6.89 0.06 1.61 2.15 -1.26 -5.05 116.67 117.06 2cub s ASP 74 Ca 0.00 1.59 -0.16 0.00 0.43 0.00 0.00 52.55 54.41 2cub s ASP 74 Cb 0.00 -2.50 -0.06 0.00 -0.30 0.00 0.00 42.92 40.06 2cub s ASP 74 CO 0.00 -0.33 0.49 -0.94 -0.17 0.00 0.00 175.17 174.21 2cub s SER 75 N -2.24 6.88 -0.07 -0.34 1.04 -1.26 -5.04 113.70 112.68 2cub s SER 75 Ca 0.60 1.07 -0.30 0.00 0.48 0.00 0.00 55.95 57.80 2cub s SER 75 Cb -0.09 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 2cub s SER 75 CO 0.15 0.25 1.51 -2.16 0.98 0.00 0.00 173.24 173.97 2cub s PRO 76 N -1.33 4.21 0.01 4.02 0.04 -1.26 -4.99 135.00 135.70 2cub s PRO 76 Ca 0.29 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 2cub s PRO 76 Cb -0.17 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 2cub s PRO 76 CO 0.17 -0.76 0.94 -0.51 0.04 0.00 0.00 177.00 176.88 2cub s LEU 77 N 3.59 4.39 0.00 -3.56 2.01 -1.26 -4.88 118.68 118.97 2cub s LEU 77 Ca 0.67 1.63 0.00 0.00 0.01 0.00 0.00 54.13 56.44 2cub s LEU 77 Cb -0.30 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.38 2cub s LEU 77 CO 0.25 -0.21 0.00 0.61 1.01 0.00 0.00 176.35 178.02 2cub n GLY 78 N 2.79 -1.80 3.33 -3.19 0.00 -1.26 -5.15 105.19 99.91 2cub n GLY 78 Ca 0.04 0.71 -0.39 0.00 0.00 0.00 0.00 46.02 46.39 2cub n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cub n ASP 79 N 0.00 -2.68 -4.34 1.61 5.68 -1.26 -5.00 116.55 110.56 2cub n ASP 79 Ca 0.00 0.68 -0.18 0.00 -0.50 0.00 0.00 54.79 54.79 2cub n ASP 79 Cb 0.00 -0.97 -0.10 0.00 -1.14 0.00 0.00 41.12 38.91 2cub n ASP 79 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 2cub s HIS 80 N -1.90 1.64 0.40 2.11 -3.43 -1.26 -5.16 115.29 107.69 2cub s HIS 80 Ca 0.61 -0.68 0.05 0.00 -0.80 0.00 0.00 55.06 54.24 2cub s HIS 80 Cb -0.47 -0.84 0.00 0.00 -1.43 0.00 0.00 32.58 29.84 2cub s HIS 80 CO 0.62 0.23 0.56 0.14 -2.00 0.00 0.00 174.74 174.29 2cub s VAL 81 N -3.12 3.60 0.00 -5.38 -7.23 -1.26 -5.08 120.40 101.94 2cub s VAL 81 Ca 0.23 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 2cub s VAL 81 Cb 0.02 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.70 2cub s VAL 81 CO 0.07 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 2cub n GLY 82 N -1.84 0.96 3.69 2.32 0.00 -1.26 -5.10 105.19 103.95 2cub n GLY 82 Ca 0.03 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 2cub n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cub s SER 83 N 1.00 6.35 0.00 1.61 0.15 -1.26 -5.08 113.70 116.47 2cub s SER 83 Ca 0.00 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2cub s SER 83 Cb 0.00 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2cub s SER 83 CO 0.00 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2cub n GLY 84 N 3.81 1.07 3.71 9.45 0.00 -1.26 -5.03 105.19 116.95 2cub n GLY 84 Ca -0.11 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 2cub n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cub s PRO 85 N 2.03 4.33 -0.13 1.61 0.04 -1.26 -4.99 135.00 136.64 2cub s PRO 85 Ca 0.00 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 2cub s PRO 85 Cb 0.00 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 2cub s PRO 85 CO 0.00 -0.42 0.97 -1.12 0.04 0.00 0.00 177.00 176.47 2cub s SER 86 N 1.13 7.17 0.31 6.66 0.01 -1.26 -4.93 113.70 122.80 2cub s SER 86 Ca 0.64 1.44 0.08 0.00 1.31 0.00 0.00 55.95 59.42 2cub s SER 86 Cb -0.36 -2.53 0.88 0.00 0.21 0.00 0.00 66.02 64.23 2cub s SER 86 CO 0.30 -0.44 1.68 0.28 0.41 0.00 0.00 173.24 175.46 2cub h SER 87 N 7.16 0.38 0.00 2.44 0.02 -2.07 -3.57 113.55 117.90 2cub h SER 87 Ca -0.30 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2cub h SER 87 Cb 1.14 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2cub h SER 87 CO 0.86 -0.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.09