#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ct4 s SER 2 N 0.00 4.33 -0.37 1.61 1.04 -1.26 -5.07 113.70 113.99 2ct4 s SER 2 Ca 0.00 -0.35 -0.28 0.00 0.48 0.00 0.00 55.95 55.80 2ct4 s SER 2 Cb 0.00 -0.84 -0.02 0.00 0.10 0.00 0.00 66.02 65.26 2ct4 s SER 2 CO 0.00 0.21 1.79 -0.44 0.98 0.00 0.00 173.24 175.78 2ct4 s SER 3 N -1.93 5.84 0.00 7.02 0.01 -1.26 -4.74 113.70 118.64 2ct4 s SER 3 Ca 0.19 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2ct4 s SER 3 Cb -0.11 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2ct4 s SER 3 CO 0.11 -1.78 0.00 0.61 0.41 0.00 0.00 173.24 172.59 2ct4 n GLY 4 N 5.44 2.70 3.61 3.44 0.00 -1.26 -4.99 105.19 114.13 2ct4 n GLY 4 Ca 0.22 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 2ct4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ct4 s SER 5 N 0.00 6.57 -0.53 1.61 1.04 -1.26 -5.02 113.70 116.11 2ct4 s SER 5 Ca 0.00 0.61 -0.18 0.00 0.48 0.00 0.00 55.95 56.86 2ct4 s SER 5 Cb 0.00 -2.35 0.09 0.00 0.10 0.00 0.00 66.02 63.86 2ct4 s SER 5 CO 0.00 -0.46 0.56 -0.55 0.98 0.00 0.00 173.24 173.77 2ct4 s SER 6 N 1.55 6.19 -0.09 7.02 0.15 -1.26 -5.00 113.70 122.26 2ct4 s SER 6 Ca 0.27 -1.32 -0.32 0.00 0.70 0.00 0.00 55.95 55.28 2ct4 s SER 6 Cb -0.15 -2.25 0.12 0.00 -1.71 0.00 0.00 66.02 62.03 2ct4 s SER 6 CO 0.10 -0.88 1.05 -0.83 1.20 0.00 0.00 173.24 173.88 2ct4 s GLY 7 N 3.09 -0.38 0.00 9.45 0.00 -1.26 -5.09 107.32 113.13 2ct4 s GLY 7 Ca 0.09 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.09 2ct4 s GLY 7 CO 0.07 0.42 0.00 0.61 0.00 0.00 0.00 173.10 174.21 2ct4 n GLY 8 N -0.18 3.25 3.42 0.20 0.00 -1.26 -4.90 105.19 105.72 2ct4 n GLY 8 Ca -0.04 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2ct4 n GLY 8 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ct4 s HIS 9 N 0.00 3.18 0.05 1.61 0.09 -1.26 -2.04 115.29 116.91 2ct4 s HIS 9 Ca 0.00 -0.65 0.03 0.00 -0.00 0.00 0.00 55.06 54.44 2ct4 s HIS 9 Cb 0.00 -2.35 -0.02 0.00 -0.00 0.00 0.00 32.58 30.21 2ct4 s HIS 9 CO 0.00 -0.48 -0.09 0.00 -0.00 0.00 0.00 174.74 174.17 2ct4 s VAL 11 N -1.36 1.03 0.20 0.00 -7.23 -1.17 -1.96 120.40 109.90 2ct4 s VAL 11 Ca -0.09 -0.56 -0.33 0.00 -1.81 0.00 0.00 61.98 59.20 2ct4 s VAL 11 Cb -0.10 -0.86 -0.13 0.00 0.56 0.00 0.00 36.38 35.85 2ct4 s VAL 11 CO 0.01 0.29 1.59 0.00 -0.31 0.00 0.00 175.10 176.68 2ct4 n ALA 12 N 2.76 1.80 -0.05 1.32 0.00 -0.63 -2.16 120.51 123.56 2ct4 n ALA 12 Ca -0.14 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.51 2ct4 n ALA 12 Cb 0.55 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 17.48 2ct4 n ALA 12 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ct4 h ILE 13 N 3.56 0.93 -4.03 0.00 2.04 -1.72 0.54 117.51 118.83 2ct4 h ILE 13 Ca -0.45 -2.28 -0.44 0.00 1.00 0.00 0.00 64.86 62.69 2ct4 h ILE 13 Cb 1.24 2.48 -0.24 0.00 -0.74 0.00 0.00 36.82 39.55 2ct4 h ILE 13 CO 0.88 0.56 -0.79 -0.31 0.00 0.00 0.00 178.15 178.49 2ct4 s TYR 14 N -2.43 1.23 -0.27 1.37 2.02 -1.26 -4.50 117.35 113.50 2ct4 s TYR 14 Ca -0.25 -0.37 -0.38 0.00 -0.37 0.00 0.00 57.07 55.71 2ct4 s TYR 14 Cb 0.05 -0.73 -0.14 0.00 -0.40 0.00 0.00 41.96 40.75 2ct4 s TYR 14 CO 0.68 0.04 1.93 1.58 -1.57 0.00 0.00 175.55 178.21 2ct4 n HIS 15 N 1.81 1.94 -4.91 2.71 -0.00 -1.26 -4.62 115.22 110.89 2ct4 n HIS 15 Ca -0.18 0.36 -0.27 0.00 0.46 0.00 0.00 57.72 58.08 2ct4 n HIS 15 Cb 0.55 -2.52 -0.16 0.00 -0.12 0.00 0.00 29.99 27.74 2ct4 n HIS 15 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 2ct4 s PHE 16 N 4.95 1.84 -0.19 1.57 2.19 -1.24 -4.99 117.98 122.10 2ct4 s PHE 16 Ca 1.02 -0.53 -0.04 0.00 0.33 0.00 0.00 56.93 57.70 2ct4 s PHE 16 Cb -0.95 -1.23 -0.02 0.00 -1.31 0.00 0.00 43.02 39.51 2ct4 s PHE 16 CO 0.58 -0.17 -0.02 -1.83 1.83 0.00 0.00 175.22 175.60 2ct4 s GLU 17 N -0.00 3.55 -0.60 10.12 4.04 -1.26 -1.94 118.70 132.61 2ct4 s GLU 17 Ca -0.04 -0.56 0.03 0.00 0.04 0.00 0.00 54.97 54.45 2ct4 s GLU 17 Cb -0.12 -3.01 0.39 0.00 0.02 0.00 0.00 34.13 31.40 2ct4 s GLU 17 CO 0.02 0.00 1.39 0.41 -1.84 0.00 0.00 175.26 175.25 2ct4 n GLY 18 N 4.24 5.84 0.33 -3.83 0.00 -1.14 -4.85 105.19 105.78 2ct4 n GLY 18 Ca -0.17 -2.68 0.19 0.00 0.00 0.00 0.00 46.02 43.36 2ct4 n GLY 18 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ct4 h SER 19 N 2.83 -0.10 -1.04 1.61 0.87 -1.86 -3.29 113.55 112.56 2ct4 h SER 19 Ca 0.37 0.25 -0.81 0.00 -1.23 0.00 0.00 61.79 60.37 2ct4 h SER 19 Cb 0.59 0.36 0.04 0.00 -0.44 0.00 0.00 62.40 62.95 2ct4 h SER 19 CO 1.03 -0.32 0.30 -1.20 -0.53 0.00 0.00 176.83 176.11 2ct4 n SER 20 N -5.34 0.50 -0.29 6.23 7.64 -1.26 -4.76 113.62 116.34 2ct4 n SER 20 Ca 0.27 1.17 0.28 0.00 1.01 0.00 0.00 58.87 61.59 2ct4 n SER 20 Cb 0.89 -0.92 0.63 0.00 -1.01 0.00 0.00 64.21 63.79 2ct4 n SER 20 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2ct4 h GLU 21 N 3.80 0.19 0.09 1.43 4.11 -2.02 0.16 114.58 122.34 2ct4 h GLU 21 Ca -0.49 -0.01 -0.28 0.00 0.07 0.00 0.00 59.36 58.65 2ct4 h GLU 21 Cb 1.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2ct4 h GLU 21 CO 0.77 0.12 -1.38 0.78 0.07 0.00 0.00 179.01 179.38 2ct4 h GLY 22 N 0.19 0.22 -0.81 1.06 0.00 -1.88 -3.47 103.07 98.38 2ct4 h GLY 22 Ca 0.55 -0.57 -0.46 0.00 0.00 0.00 0.00 47.33 46.85 2ct4 h GLY 22 CO -0.14 0.50 0.36 -1.59 0.00 0.00 0.00 176.54 175.66 2ct4 s THR 23 N -2.64 2.07 0.14 4.70 2.01 0.55 -3.76 115.64 118.71 2ct4 s THR 23 Ca -0.06 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 61.91 2ct4 s THR 23 Cb 0.07 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2ct4 s THR 23 CO 0.85 0.00 -0.12 -0.51 -0.69 0.00 0.00 174.62 174.16 2ct4 s ILE 24 N -3.55 1.25 0.03 1.82 2.07 -1.24 -4.63 121.20 116.95 2ct4 s ILE 24 Ca 0.64 -1.95 0.03 0.00 -1.41 0.00 0.00 60.65 57.96 2ct4 s ILE 24 Cb -0.09 -1.74 -0.04 0.00 0.13 0.00 0.00 42.46 40.72 2ct4 s ILE 24 CO 0.49 -0.63 -0.00 -0.44 -1.91 0.00 0.00 174.94 172.44 2ct4 s SER 25 N -2.93 5.06 0.29 4.50 0.01 -1.26 -2.87 113.70 116.49 2ct4 s SER 25 Ca 0.14 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.35 2ct4 s SER 25 Cb -0.00 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 2ct4 s SER 25 CO 0.02 0.24 0.15 0.00 0.41 0.00 0.00 173.24 174.06 2ct4 s MET 26 N -1.83 1.54 0.06 12.44 0.23 -0.82 -4.90 119.30 126.02 2ct4 s MET 26 Ca 0.22 -1.87 0.09 0.00 -1.03 0.00 0.00 55.69 53.10 2ct4 s MET 26 Cb -0.12 -0.11 -0.03 0.00 -1.53 0.00 0.00 34.83 33.04 2ct4 s MET 26 CO 0.13 -0.42 -0.26 0.00 -2.03 0.00 0.00 175.02 172.45 2ct4 s ALA 27 N -3.66 2.20 -0.40 3.16 0.00 -1.26 -3.67 121.76 118.13 2ct4 s ALA 27 Ca 0.36 -1.27 -0.35 0.00 0.00 0.00 0.00 51.96 50.70 2ct4 s ALA 27 Cb 0.06 -0.44 -0.12 0.00 0.00 0.00 0.00 23.12 22.61 2ct4 s ALA 27 CO 0.17 0.51 2.22 -1.91 0.00 0.00 0.00 175.76 176.75 2ct4 n GLU 28 N 1.66 0.94 -1.61 0.00 2.13 -1.26 0.05 120.64 122.55 2ct4 n GLU 28 Ca -0.17 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2ct4 n GLU 28 Cb 0.52 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.84 2ct4 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ct4 n GLY 29 N 6.60 0.76 3.86 8.31 0.00 0.19 -5.00 105.19 119.92 2ct4 n GLY 29 Ca 0.43 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2ct4 n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ct4 s GLU 30 N -3.41 3.65 0.19 1.61 2.56 0.11 -4.82 118.70 118.59 2ct4 s GLU 30 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 54.97 54.76 2ct4 s GLU 30 Cb 0.00 -3.17 -0.08 0.00 2.00 0.00 0.00 34.13 32.88 2ct4 s GLU 30 CO 0.00 0.72 1.03 0.16 -0.56 0.00 0.00 175.26 176.60 2ct4 s ASP 31 N -1.20 7.42 0.06 -1.70 1.47 -1.26 -1.60 116.67 119.85 2ct4 s ASP 31 Ca 0.21 2.01 0.01 0.00 1.18 0.00 0.00 52.55 55.96 2ct4 s ASP 31 Cb -0.14 -2.61 -0.03 0.00 -0.34 0.00 0.00 42.92 39.80 2ct4 s ASP 31 CO 0.10 -0.08 -0.05 -0.76 0.68 0.00 0.00 175.17 175.06 2ct4 s LEU 32 N -0.65 2.40 -0.41 2.11 1.43 -0.83 -4.78 118.68 117.94 2ct4 s LEU 32 Ca 0.46 -0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 2ct4 s LEU 32 Cb -0.28 0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.01 2ct4 s LEU 32 CO 0.34 -0.42 0.29 -0.44 0.23 0.00 0.00 176.35 176.35 2ct4 s SER 33 N -2.37 6.01 0.10 2.29 0.01 -0.68 -3.76 113.70 115.29 2ct4 s SER 33 Ca 0.00 -1.03 -0.31 0.00 1.31 0.00 0.00 55.95 55.93 2ct4 s SER 33 Cb -0.00 -2.12 -0.10 0.00 0.21 0.00 0.00 66.02 64.01 2ct4 s SER 33 CO -0.05 -0.47 1.81 -0.22 0.41 0.00 0.00 173.24 174.72 2ct4 s LEU 34 N 1.63 4.40 0.02 2.44 1.98 -0.87 -0.98 118.68 127.29 2ct4 s LEU 34 Ca 0.04 2.69 -0.01 0.00 -2.89 0.00 0.00 54.13 53.96 2ct4 s LEU 34 Cb -0.20 -3.56 -0.00 0.00 0.66 0.00 0.00 46.19 43.09 2ct4 s LEU 34 CO 0.08 -0.99 -0.01 0.23 -1.89 0.00 0.00 176.35 173.77 2ct4 n MET 35 N 5.91 0.02 -3.68 1.98 2.81 -0.43 -4.38 117.12 119.34 2ct4 n MET 35 Ca 0.18 0.01 -0.38 0.00 -1.81 0.00 0.00 57.70 55.70 2ct4 n MET 35 Cb 0.39 -0.22 -0.12 0.00 -0.71 0.00 0.00 33.22 32.56 2ct4 n MET 35 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2ct4 s GLU 36 N -1.30 3.55 0.76 0.03 8.01 -1.01 -4.85 118.70 123.88 2ct4 s GLU 36 Ca -0.01 -0.57 -0.11 0.00 0.01 0.00 0.00 54.97 54.29 2ct4 s GLU 36 Cb 0.00 -3.49 0.05 0.00 -4.31 0.00 0.00 34.13 26.39 2ct4 s GLU 36 CO 0.02 -0.29 1.08 -1.21 0.01 0.00 0.00 175.26 174.86 2ct4 s GLU 37 N 1.63 2.36 -0.22 1.61 0.41 -1.26 -2.31 118.70 120.93 2ct4 s GLU 37 Ca 0.06 0.89 -0.06 0.00 -0.41 0.00 0.00 54.97 55.44 2ct4 s GLU 37 Cb -0.16 -1.93 -0.03 0.00 -1.78 0.00 0.00 34.13 30.23 2ct4 s GLU 37 CO 0.06 -1.49 0.03 0.16 -0.49 0.00 0.00 175.26 173.53 2ct4 s ASP 38 N -3.71 5.00 -0.57 -0.19 -4.77 -1.25 -4.83 116.67 106.35 2ct4 s ASP 38 Ca 0.60 -0.18 -0.09 0.00 -3.30 0.00 0.00 52.55 49.58 2ct4 s ASP 38 Cb -0.15 -1.87 0.15 0.00 -1.09 0.00 0.00 42.92 39.96 2ct4 s ASP 38 CO 0.55 0.04 0.45 -0.54 0.70 0.00 0.00 175.17 176.37 2ct4 s LYS 39 N 1.18 2.72 -1.42 2.11 1.02 -1.26 -4.62 119.74 119.47 2ct4 s LYS 39 Ca 0.04 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 53.96 2ct4 s LYS 39 Cb -0.14 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.18 2ct4 s LYS 39 CO 0.02 -1.21 0.00 0.41 -0.92 0.00 0.00 175.35 173.65 2ct4 n GLY 40 N 4.43 0.87 0.05 -3.33 0.00 -1.26 -4.74 105.19 101.20 2ct4 n GLY 40 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2ct4 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ct4 n ASP 41 N -0.92 3.20 0.00 1.61 8.00 -1.26 -5.03 116.55 122.14 2ct4 n ASP 41 Ca -0.15 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2ct4 n ASP 41 Cb 0.50 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 2ct4 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ct4 n GLY 42 N 2.94 0.68 3.13 0.44 0.00 -1.26 -5.02 105.19 106.11 2ct4 n GLY 42 Ca -0.17 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 2ct4 n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ct4 s TRP 43 N -2.00 2.84 -0.06 1.61 0.52 -1.26 -0.25 118.94 120.33 2ct4 s TRP 43 Ca 0.00 -1.66 0.03 0.00 0.02 0.00 0.00 56.10 54.49 2ct4 s TRP 43 Cb 0.00 -1.93 0.01 0.00 -1.15 0.00 0.00 33.47 30.39 2ct4 s TRP 43 CO 0.00 -0.80 -0.15 0.99 0.02 0.00 0.00 176.95 177.01 2ct4 s THR 44 N 1.29 1.31 -0.20 2.01 2.01 0.65 -3.82 115.64 118.89 2ct4 s THR 44 Ca 0.04 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 2ct4 s THR 44 Cb -0.14 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.16 2ct4 s THR 44 CO -0.12 0.39 0.19 -0.60 -0.69 0.00 0.00 174.62 173.79 2ct4 s ARG 45 N 0.40 4.18 0.14 4.92 3.52 -0.98 -0.21 118.95 130.92 2ct4 s ARG 45 Ca -0.11 -0.13 0.06 0.00 -0.13 0.00 0.00 55.73 55.42 2ct4 s ARG 45 Cb -0.14 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 2ct4 s ARG 45 CO 0.04 0.22 -0.14 0.14 -0.81 0.00 0.00 175.30 174.74 2ct4 s VAL 46 N 0.58 1.39 0.10 7.11 -7.23 -1.18 -1.32 120.40 119.86 2ct4 s VAL 46 Ca 0.10 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2ct4 s VAL 46 Cb -0.12 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 2ct4 s VAL 46 CO 0.01 -0.46 0.18 -0.60 -0.31 0.00 0.00 175.10 173.92 2ct4 s ARG 47 N -2.87 3.20 -0.09 4.82 3.52 -0.16 -3.36 118.95 124.02 2ct4 s ARG 47 Ca 0.11 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2ct4 s ARG 47 Cb -0.04 -2.88 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 2ct4 s ARG 47 CO 0.03 0.56 -0.05 1.03 -0.81 0.00 0.00 175.30 176.07 2ct4 s ARG 48 N -2.72 2.97 0.36 5.12 0.52 -0.08 -1.69 118.95 123.43 2ct4 s ARG 48 Ca 0.33 -0.51 0.17 0.00 -0.52 0.00 0.00 55.73 55.20 2ct4 s ARG 48 Cb -0.12 -2.69 1.23 0.00 0.52 0.00 0.00 34.95 33.89 2ct4 s ARG 48 CO 0.26 0.59 1.59 -0.22 0.02 0.00 0.00 175.30 177.54 2ct4 h LYS 49 N 5.50 0.04 0.81 3.54 1.63 -1.90 0.30 116.57 126.50 2ct4 h LYS 49 Ca -0.46 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.30 2ct4 h LYS 49 Cb 1.18 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.81 2ct4 h LYS 49 CO 0.55 0.03 -0.39 0.93 -3.45 0.00 0.00 179.45 177.11 2ct4 h GLU 50 N 0.04 -1.05 0.00 1.90 4.39 -2.00 -3.47 114.58 114.39 2ct4 h GLU 50 Ca 0.80 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.57 2ct4 h GLU 50 Cb 2.04 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.92 2ct4 h GLU 50 CO -0.77 -0.70 0.00 0.41 -1.16 0.00 0.00 179.01 176.79 2ct4 n GLY 51 N -1.51 0.00 3.07 -3.84 0.00 0.10 -5.17 105.19 97.84 2ct4 n GLY 51 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2ct4 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ct4 s GLY 52 N 0.00 0.71 0.13 -0.02 0.00 -1.24 -4.93 107.32 101.97 2ct4 s GLY 52 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 44.72 44.26 2ct4 s GLY 52 CO 0.00 -0.25 -0.13 -1.83 0.00 0.00 0.00 173.10 170.89 2ct4 s GLU 53 N 0.05 1.04 -0.17 2.90 1.03 -1.26 -0.90 118.70 121.39 2ct4 s GLU 53 Ca -0.02 -1.31 -0.35 0.00 0.03 0.00 0.00 54.97 53.32 2ct4 s GLU 53 Cb -0.09 -0.81 0.14 0.00 -0.80 0.00 0.00 34.13 32.57 2ct4 s GLU 53 CO 0.01 0.14 1.26 0.20 -1.33 0.00 0.00 175.26 175.54 2ct4 s GLY 54 N -2.71 -0.31 -0.62 -3.83 0.00 -1.21 -4.39 107.32 94.25 2ct4 s GLY 54 Ca 0.12 1.47 -0.27 0.00 0.00 0.00 0.00 44.72 46.04 2ct4 s GLY 54 CO 0.02 0.46 1.14 -0.19 0.00 0.00 0.00 173.10 174.54 2ct4 s TYR 55 N -2.34 2.58 0.11 1.90 2.02 -1.25 -3.09 117.35 117.28 2ct4 s TYR 55 Ca 0.11 0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 2ct4 s TYR 55 Cb 0.00 -4.43 -0.04 0.00 -0.40 0.00 0.00 41.96 37.09 2ct4 s TYR 55 CO -0.04 -1.65 0.21 0.14 -1.57 0.00 0.00 175.55 172.63 2ct4 s VAL 56 N 4.86 5.10 -0.04 0.71 -7.23 0.71 -4.57 120.40 119.95 2ct4 s VAL 56 Ca 0.37 -0.66 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 2ct4 s VAL 56 Cb -0.09 -3.56 -0.05 0.00 0.56 0.00 0.00 36.38 33.24 2ct4 s VAL 56 CO 0.21 0.01 1.48 -2.16 -0.31 0.00 0.00 175.10 174.32 2ct4 s PRO 57 N -2.86 4.24 0.34 4.82 0.04 -1.26 -0.25 135.00 140.06 2ct4 s PRO 57 Ca 0.33 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.50 2ct4 s PRO 57 Cb -0.12 -3.73 0.93 0.00 0.04 0.00 0.00 34.50 31.62 2ct4 s PRO 57 CO 0.27 -0.69 1.74 1.15 0.04 0.00 0.00 177.00 179.51 2ct4 h THR 58 N 5.20 0.55 -0.85 1.26 2.02 -0.96 0.38 112.91 120.51 2ct4 h THR 58 Ca -0.37 -0.19 0.23 0.00 0.77 0.00 0.00 66.41 66.85 2ct4 h THR 58 Cb 1.17 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2ct4 h THR 58 CO 0.93 0.10 0.60 0.28 0.37 0.00 0.00 175.52 177.80 2ct4 h SER 59 N 0.55 0.11 -0.50 4.18 0.02 -1.91 0.71 113.55 116.72 2ct4 h SER 59 Ca 0.63 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.49 2ct4 h SER 59 Cb 1.27 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.74 2ct4 h SER 59 CO -0.42 0.04 0.13 -1.22 -1.14 0.00 0.00 176.83 174.22 2ct4 n TYR 60 N -4.35 1.69 -3.82 3.45 4.02 0.13 -4.81 117.16 113.48 2ct4 n TYR 60 Ca 0.18 -0.78 -0.25 0.00 -0.01 0.00 0.00 57.90 57.03 2ct4 n TYR 60 Cb 0.84 -0.50 -0.17 0.00 -0.02 0.00 0.00 39.34 39.50 2ct4 n TYR 60 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2ct4 s LEU 61 N -2.08 0.88 -0.35 7.72 1.43 0.25 -2.04 118.68 124.50 2ct4 s LEU 61 Ca 0.39 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2ct4 s LEU 61 Cb 0.31 -0.61 0.05 0.00 0.03 0.00 0.00 46.19 45.97 2ct4 s LEU 61 CO 0.10 -0.18 0.12 -0.60 0.23 0.00 0.00 176.35 176.03 2ct4 s ARG 62 N 1.86 2.56 -0.13 1.70 3.52 -0.92 -4.94 118.95 122.60 2ct4 s ARG 62 Ca 0.04 -1.27 -0.31 0.00 -0.13 0.00 0.00 55.73 54.07 2ct4 s ARG 62 Cb -0.13 -3.48 -0.08 0.00 -1.56 0.00 0.00 34.95 29.70 2ct4 s ARG 62 CO -0.07 -0.73 2.08 0.28 -0.81 0.00 0.00 175.30 176.06 2ct4 n VAL 63 N 4.79 0.51 -1.57 7.11 0.31 -1.26 -3.02 118.33 125.20 2ct4 n VAL 63 Ca -0.11 -0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 63.52 2ct4 n VAL 63 Cb 0.44 -2.27 0.01 0.00 -0.91 0.00 0.00 33.84 31.11 2ct4 n VAL 63 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2ct4 n THR 64 N 6.52 2.24 -4.01 2.52 -2.24 -0.80 -4.97 114.28 113.53 2ct4 n THR 64 Ca 0.27 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 61.20 2ct4 n THR 64 Cb 0.38 -0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 67.58 2ct4 n THR 64 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ct4 s SER 65 N -0.77 6.02 -0.26 3.42 1.04 -1.26 -4.99 113.70 116.91 2ct4 s SER 65 Ca 0.63 0.29 -0.38 0.00 0.48 0.00 0.00 55.95 56.97 2ct4 s SER 65 Cb -0.60 -1.84 0.16 0.00 0.10 0.00 0.00 66.02 63.85 2ct4 s SER 65 CO 0.57 0.31 1.41 -0.83 0.98 0.00 0.00 173.24 175.68 2ct4 s GLY 66 N -1.54 -0.26 -0.18 7.32 0.00 -1.26 -5.12 107.32 106.27 2ct4 s GLY 66 Ca 0.21 1.74 -0.29 0.00 0.00 0.00 0.00 44.72 46.38 2ct4 s GLY 66 CO 0.12 0.55 1.59 2.56 0.00 0.00 0.00 173.10 177.92 2ct4 s PRO 67 N -2.01 3.91 0.60 2.90 0.04 -1.26 -4.88 135.00 134.30 2ct4 s PRO 67 Ca 0.13 1.76 0.36 0.00 0.04 0.00 0.00 61.00 63.29 2ct4 s PRO 67 Cb 0.01 -4.00 1.88 0.00 0.04 0.00 0.00 34.50 32.43 2ct4 s PRO 67 CO -0.03 -1.16 2.20 0.66 0.04 0.00 0.00 177.00 178.71 2ct4 h SER 68 N 10.28 0.00 -3.94 6.66 4.64 -2.03 -3.42 113.55 125.73 2ct4 h SER 68 Ca -0.34 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.47 2ct4 h SER 68 Cb 1.15 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.29 2ct4 h SER 68 CO 0.99 0.03 0.50 -0.94 -0.87 0.00 0.00 176.83 176.54 2ct4 s SER 69 N -5.66 6.55 0.00 4.97 1.04 -1.26 -5.35 113.70 113.99 2ct4 s SER 69 Ca -0.03 2.33 0.28 0.00 0.48 0.00 0.00 55.95 59.02 2ct4 s SER 69 Cb 0.12 -2.61 1.69 0.00 0.10 0.00 0.00 66.02 65.33 2ct4 s SER 69 CO 0.50 -0.66 2.03 0.61 0.98 0.00 0.00 173.24 176.71