#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 2.85 0.06 1.61 0.01 -1.26 -5.08 113.70 111.89 2ct4 s SER 2 Ca 0.00 -1.40 -0.28 0.00 1.31 0.00 0.00 55.95 55.58 2ct4 s SER 2 Cb 0.00 -0.13 -0.14 0.00 0.21 0.00 0.00 66.02 65.96 2ct4 s SER 2 CO 0.00 -0.59 1.44 0.28 0.41 0.00 0.00 173.24 174.78 2ct4 h SER 3 N 1.99 -1.04 0.00 2.44 0.02 -2.11 -3.48 113.55 111.37 2ct4 h SER 3 Ca -0.42 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2ct4 h SER 3 Cb 1.25 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.11 2ct4 h SER 3 CO 0.72 -0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 2ct4 n GLY 4 N -1.47 3.60 3.66 -3.77 0.00 -1.26 -5.10 105.19 100.86 2ct4 n GLY 4 Ca -0.11 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2ct4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ct4 s SER 5 N 0.00 6.83 0.22 1.61 0.15 -1.26 -5.04 113.70 116.21 2ct4 s SER 5 Ca 0.00 1.01 -0.28 0.00 0.70 0.00 0.00 55.95 57.38 2ct4 s SER 5 Cb 0.00 -2.41 -0.09 0.00 -1.71 0.00 0.00 66.02 61.81 2ct4 s SER 5 CO 0.00 -0.37 0.88 -0.44 1.20 0.00 0.00 173.24 174.51 2ct4 s SER 6 N 1.21 7.53 -0.79 5.45 0.01 -1.26 -5.00 113.70 120.84 2ct4 s SER 6 Ca 0.34 1.83 -0.20 0.00 1.31 0.00 0.00 55.95 59.23 2ct4 s SER 6 Cb -0.16 -2.57 0.11 0.00 0.21 0.00 0.00 66.02 63.62 2ct4 s SER 6 CO 0.11 0.16 0.99 -0.83 0.41 0.00 0.00 173.24 174.08 2ct4 s GLY 7 N -1.21 1.79 -0.17 3.44 0.00 -1.26 -4.97 107.32 104.94 2ct4 s GLY 7 Ca 0.40 -2.46 -0.09 0.00 0.00 0.00 0.00 44.72 42.57 2ct4 s GLY 7 CO 0.29 1.91 0.15 -0.32 0.00 0.00 0.00 173.10 175.14 2ct4 s GLY 8 N 3.56 2.10 -0.13 0.20 0.00 -1.26 -5.05 107.32 106.75 2ct4 s GLY 8 Ca 0.25 -0.64 -0.04 0.00 0.00 0.00 0.00 44.72 44.29 2ct4 s GLY 8 CO -0.02 -0.01 0.01 0.30 0.00 0.00 0.00 173.10 173.39 2ct4 s HIS 9 N -0.12 3.17 0.06 1.90 0.09 -1.26 -1.84 115.29 117.28 2ct4 s HIS 9 Ca 0.11 0.03 -0.08 0.00 -0.00 0.00 0.00 55.06 55.13 2ct4 s HIS 9 Cb -0.12 -1.93 -0.00 0.00 -0.00 0.00 0.00 32.58 30.53 2ct4 s HIS 9 CO 0.01 0.25 0.16 0.00 -0.00 0.00 0.00 174.74 175.15 2ct4 s VAL 11 N -3.29 0.62 0.25 0.00 -7.23 -1.11 -1.02 120.40 108.63 2ct4 s VAL 11 Ca 0.01 -0.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 2ct4 s VAL 11 Cb 0.02 -0.59 -0.15 0.00 0.56 0.00 0.00 36.38 36.22 2ct4 s VAL 11 CO -0.08 0.22 1.01 0.00 -0.31 0.00 0.00 175.10 175.94 2ct4 n ALA 12 N 3.65 -0.58 -0.12 1.32 0.00 -0.48 -2.44 120.51 121.84 2ct4 n ALA 12 Ca -0.22 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.38 2ct4 n ALA 12 Cb 0.53 -1.99 -0.11 0.00 0.00 0.00 0.00 19.45 17.88 2ct4 n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ct4 n ILE 13 N 0.54 1.54 -4.38 0.00 5.41 -0.70 -0.89 119.36 120.88 2ct4 n ILE 13 Ca 0.12 -0.40 -0.22 0.00 1.00 0.00 0.00 62.75 63.25 2ct4 n ILE 13 Cb 0.30 -1.78 -0.13 0.00 -0.71 0.00 0.00 39.64 37.31 2ct4 n ILE 13 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2ct4 s TYR 14 N -2.50 1.46 -0.27 1.39 2.02 -1.26 -4.54 117.35 113.65 2ct4 s TYR 14 Ca -0.36 -0.39 -0.37 0.00 -0.37 0.00 0.00 57.07 55.58 2ct4 s TYR 14 Cb 0.12 -0.85 -0.14 0.00 -0.40 0.00 0.00 41.96 40.70 2ct4 s TYR 14 CO 0.55 0.08 1.94 1.58 -1.57 0.00 0.00 175.55 178.12 2ct4 n HIS 15 N 1.65 1.93 -4.99 2.71 -0.00 -1.26 -4.70 115.22 110.56 2ct4 n HIS 15 Ca -0.19 0.35 -0.30 0.00 0.46 0.00 0.00 57.72 58.04 2ct4 n HIS 15 Cb 0.54 -2.52 -0.17 0.00 -0.12 0.00 0.00 29.99 27.72 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 5.01 2.31 -0.28 1.57 5.36 -1.22 -5.03 117.98 125.69 2ct4 s PHE 16 Ca 1.02 -0.97 -0.10 0.00 -0.96 0.00 0.00 56.93 55.92 2ct4 s PHE 16 Cb -0.94 -1.57 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 2ct4 s PHE 16 CO 0.58 -0.41 0.16 -2.00 -1.46 0.00 0.00 175.22 172.08 2ct4 s GLU 17 N 0.49 3.78 -0.72 10.12 2.12 -1.26 -2.08 118.70 131.15 2ct4 s GLU 17 Ca -0.16 -0.43 -0.04 0.00 0.36 0.00 0.00 54.97 54.70 2ct4 s GLU 17 Cb -0.17 -3.58 0.08 0.00 0.26 0.00 0.00 34.13 30.72 2ct4 s GLU 17 CO 0.06 -0.23 2.66 0.41 -0.54 0.00 0.00 175.26 177.63 2ct4 n GLY 18 N 5.02 4.61 0.41 -1.50 0.00 -1.22 -4.69 105.19 107.82 2ct4 n GLY 18 Ca -0.14 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.78 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 3.50 -0.89 -0.57 1.61 0.87 -1.90 -3.38 113.55 112.79 2ct4 h SER 19 Ca 0.49 0.03 -0.64 0.00 -1.23 0.00 0.00 61.79 60.44 2ct4 h SER 19 Cb 0.60 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2ct4 h SER 19 CO 1.06 -0.62 0.63 -0.24 -0.53 0.00 0.00 176.83 177.12 2ct4 n SER 20 N -4.87 0.83 -4.36 6.23 2.88 -1.26 -4.49 113.62 108.57 2ct4 n SER 20 Ca -0.13 0.80 -0.46 0.00 -1.33 0.00 0.00 58.87 57.75 2ct4 n SER 20 Cb 0.41 -0.67 -0.14 0.00 -0.75 0.00 0.00 64.21 63.07 2ct4 n SER 20 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2ct4 n GLU 21 N 3.64 0.00 0.00 -1.46 4.07 -1.26 -0.66 120.64 124.97 2ct4 n GLU 21 Ca 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 2ct4 n GLU 21 Cb -0.04 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.86 2ct4 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ct4 n GLY 22 N 6.73 3.51 3.64 8.31 0.00 -1.26 -5.11 105.19 121.00 2ct4 n GLY 22 Ca 0.62 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2ct4 n GLY 22 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ct4 n THR 23 N 0.00 1.03 -4.36 2.61 -2.24 0.17 -4.05 114.28 107.43 2ct4 n THR 23 Ca 0.00 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 2ct4 n THR 23 Cb 0.00 -1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 67.08 2ct4 n THR 23 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2ct4 s ILE 24 N -2.33 2.75 -0.09 2.28 2.07 -1.26 -4.60 121.20 120.02 2ct4 s ILE 24 Ca 0.69 -1.50 -0.10 0.00 -1.41 0.00 0.00 60.65 58.32 2ct4 s ILE 24 Cb -0.26 -2.24 -0.05 0.00 0.13 0.00 0.00 42.46 40.04 2ct4 s ILE 24 CO 0.56 0.13 0.24 -0.94 -1.91 0.00 0.00 174.94 173.02 2ct4 s SER 25 N -2.04 6.52 0.15 4.50 1.04 -1.26 -3.42 113.70 119.19 2ct4 s SER 25 Ca 0.17 0.62 0.07 0.00 0.48 0.00 0.00 55.95 57.29 2ct4 s SER 25 Cb -0.10 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 2ct4 s SER 25 CO 0.09 0.34 -0.16 0.00 0.98 0.00 0.00 173.24 174.49 2ct4 s MET 26 N -0.81 1.17 -0.16 4.02 0.23 -0.89 -4.90 119.30 117.96 2ct4 s MET 26 Ca 0.18 -1.36 -0.08 0.00 -1.03 0.00 0.00 55.69 53.39 2ct4 s MET 26 Cb -0.14 -1.09 -0.04 0.00 -1.53 0.00 0.00 34.83 32.03 2ct4 s MET 26 CO 0.07 0.21 0.12 0.00 -2.03 0.00 0.00 175.02 173.38 2ct4 s ALA 27 N -2.26 3.69 -0.44 3.16 0.00 -1.26 -3.46 121.76 121.19 2ct4 s ALA 27 Ca 0.14 -0.69 -0.43 0.00 0.00 0.00 0.00 51.96 50.98 2ct4 s ALA 27 Cb -0.04 -2.03 -0.18 0.00 0.00 0.00 0.00 23.12 20.87 2ct4 s ALA 27 CO 0.05 0.34 1.90 -1.91 0.00 0.00 0.00 175.76 176.13 2ct4 n GLU 28 N 2.94 0.34 -1.80 0.00 2.13 -1.26 0.79 120.64 123.77 2ct4 n GLU 28 Ca -0.18 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2ct4 n GLU 28 Cb 0.53 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.52 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 5.63 0.42 3.86 8.31 0.00 -0.06 -5.00 105.19 118.34 2ct4 n GLY 29 Ca 0.40 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.63 3.61 0.37 1.61 2.56 0.24 -4.84 118.70 118.62 2ct4 s GLU 30 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 54.97 54.74 2ct4 s GLU 30 Cb 0.00 -3.21 -0.09 0.00 2.00 0.00 0.00 34.13 32.84 2ct4 s GLU 30 CO 0.00 0.74 1.14 -0.51 -0.56 0.00 0.00 175.26 176.07 2ct4 s ASP 31 N -1.00 6.72 0.05 -1.70 1.11 -1.26 -1.39 116.67 119.21 2ct4 s ASP 31 Ca 0.17 2.29 -0.03 0.00 0.18 0.00 0.00 52.55 55.16 2ct4 s ASP 31 Cb -0.13 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.22 2ct4 s ASP 31 CO 0.07 -0.53 0.03 -0.76 1.18 0.00 0.00 175.17 175.16 2ct4 s LEU 32 N -2.30 2.15 -0.38 1.23 1.43 -0.19 -4.73 118.68 115.89 2ct4 s LEU 32 Ca 0.54 -0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2ct4 s LEU 32 Cb -0.30 0.41 0.06 0.00 0.03 0.00 0.00 46.19 46.39 2ct4 s LEU 32 CO 0.37 -0.57 0.19 -0.55 0.23 0.00 0.00 176.35 176.02 2ct4 s SER 33 N -2.61 5.50 -0.21 2.29 0.15 -0.67 -3.38 113.70 114.77 2ct4 s SER 33 Ca 0.02 -1.32 -0.30 0.00 0.70 0.00 0.00 55.95 55.05 2ct4 s SER 33 Cb 0.04 -1.94 -0.07 0.00 -1.71 0.00 0.00 66.02 62.34 2ct4 s SER 33 CO -0.08 -0.43 2.18 -0.11 1.20 0.00 0.00 173.24 175.99 2ct4 n LEU 34 N 4.87 3.18 -0.02 3.45 -0.00 -0.77 -1.47 117.00 126.24 2ct4 n LEU 34 Ca -0.11 0.34 -0.02 0.00 -0.00 0.00 0.00 56.01 56.22 2ct4 n LEU 34 Cb 0.44 -1.50 -0.01 0.00 -0.00 0.00 0.00 43.42 42.35 2ct4 n LEU 34 CO 0.35 -0.58 -0.18 0.23 -0.00 0.00 0.00 177.39 177.22 2ct4 n MET 35 N 8.45 0.14 -3.58 1.96 2.81 0.97 -4.41 117.12 123.45 2ct4 n MET 35 Ca 0.30 0.05 -0.38 0.00 -1.81 0.00 0.00 57.70 55.86 2ct4 n MET 35 Cb 0.40 -0.64 -0.11 0.00 -0.71 0.00 0.00 33.22 32.16 2ct4 n MET 35 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2ct4 s GLU 36 N -1.62 3.82 0.56 0.03 2.56 0.02 -4.94 118.70 119.14 2ct4 s GLU 36 Ca -0.08 -0.41 -0.16 0.00 0.00 0.00 0.00 54.97 54.32 2ct4 s GLU 36 Cb 0.01 -3.68 -0.05 0.00 2.00 0.00 0.00 34.13 32.41 2ct4 s GLU 36 CO 0.11 -0.25 1.04 -1.21 -0.56 0.00 0.00 175.26 174.40 2ct4 s GLU 37 N 1.74 3.52 -0.31 4.30 2.02 -1.26 -1.03 118.70 127.69 2ct4 s GLU 37 Ca 0.07 1.17 -0.11 0.00 0.02 0.00 0.00 54.97 56.11 2ct4 s GLU 37 Cb -0.16 -2.06 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 2ct4 s GLU 37 CO 0.11 -0.64 0.20 0.16 0.02 0.00 0.00 175.26 175.10 2ct4 s ASP 38 N -2.75 5.88 -0.74 -0.19 -4.77 -1.22 -4.80 116.67 108.07 2ct4 s ASP 38 Ca 0.63 -0.33 -0.14 0.00 -3.30 0.00 0.00 52.55 49.40 2ct4 s ASP 38 Cb -0.15 -2.09 0.19 0.00 -1.09 0.00 0.00 42.92 39.79 2ct4 s ASP 38 CO 0.34 -0.17 0.69 -1.59 0.70 0.00 0.00 175.17 175.13 2ct4 s LYS 39 N 1.70 3.41 -0.96 2.11 -2.85 -1.26 -4.56 119.74 117.34 2ct4 s LYS 39 Ca 0.06 -2.26 0.00 0.00 -1.00 0.00 0.00 55.97 52.77 2ct4 s LYS 39 Cb -0.17 -4.38 0.00 0.00 -2.06 0.00 0.00 37.83 31.23 2ct4 s LYS 39 CO 0.09 -1.30 0.00 0.41 0.10 0.00 0.00 175.35 174.66 2ct4 n GLY 40 N 4.31 0.86 0.09 0.59 0.00 -1.26 -4.72 105.19 105.06 2ct4 n GLY 40 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2ct4 n GLY 40 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ct4 n ASP 41 N -0.36 1.98 0.00 1.61 5.75 -1.26 -5.02 116.55 119.25 2ct4 n ASP 41 Ca -0.09 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 2ct4 n ASP 41 Cb 0.44 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2ct4 n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ct4 n GLY 42 N 2.36 0.79 3.23 6.12 0.00 -1.26 -5.04 105.19 111.39 2ct4 n GLY 42 Ca -0.32 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 2.89 -0.15 1.61 0.52 -1.26 -0.54 118.94 120.01 2ct4 s TRP 43 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 56.10 54.86 2ct4 s TRP 43 Cb 0.00 -2.03 0.03 0.00 -1.15 0.00 0.00 33.47 30.32 2ct4 s TRP 43 CO 0.00 -0.66 -0.12 0.99 0.02 0.00 0.00 176.95 177.17 2ct4 s THR 44 N 1.39 1.50 -0.12 2.01 2.01 0.63 -3.40 115.64 119.66 2ct4 s THR 44 Ca 0.05 -0.64 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 2ct4 s THR 44 Cb -0.14 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 2ct4 s THR 44 CO -0.07 0.40 0.87 -0.60 -0.69 0.00 0.00 174.62 174.52 2ct4 s ARG 45 N 1.51 4.37 0.35 4.92 3.52 -0.19 -2.14 118.95 131.29 2ct4 s ARG 45 Ca 0.04 1.13 0.05 0.00 -0.13 0.00 0.00 55.73 56.81 2ct4 s ARG 45 Cb -0.13 -3.54 -0.07 0.00 -1.56 0.00 0.00 34.95 29.65 2ct4 s ARG 45 CO -0.10 -0.24 0.04 0.14 -0.81 0.00 0.00 175.30 174.33 2ct4 s VAL 46 N 1.82 1.42 0.14 7.11 -7.23 -1.15 -0.02 120.40 122.49 2ct4 s VAL 46 Ca 0.42 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.69 2ct4 s VAL 46 Cb -0.18 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2ct4 s VAL 46 CO 0.16 0.00 -0.24 -0.60 -0.31 0.00 0.00 175.10 174.11 2ct4 s ARG 47 N -3.84 1.37 -0.13 4.82 3.52 -0.54 -3.42 118.95 120.74 2ct4 s ARG 47 Ca 0.36 -1.37 -0.01 0.00 -0.13 0.00 0.00 55.73 54.58 2ct4 s ARG 47 Cb 0.09 -1.75 -0.02 0.00 -1.56 0.00 0.00 34.95 31.71 2ct4 s ARG 47 CO 0.16 0.40 -0.10 1.03 -0.81 0.00 0.00 175.30 175.98 2ct4 s ARG 48 N -2.25 3.36 0.23 5.12 0.52 -0.39 -1.67 118.95 123.86 2ct4 s ARG 48 Ca 0.15 -0.62 0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2ct4 s ARG 48 Cb -0.09 -2.70 0.65 0.00 0.52 0.00 0.00 34.95 33.34 2ct4 s ARG 48 CO 0.07 0.29 1.12 1.17 0.02 0.00 0.00 175.30 177.97 2ct4 n LYS 49 N 3.33 -0.05 0.05 3.54 4.81 -1.26 -0.32 118.16 128.25 2ct4 n LYS 49 Ca -0.18 1.05 -0.05 0.00 -0.87 0.00 0.00 58.31 58.26 2ct4 n LYS 49 Cb 0.53 -1.72 -0.03 0.00 0.02 0.00 0.00 35.03 33.83 2ct4 n LYS 49 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2ct4 h GLU 50 N 0.00 -0.25 0.00 1.64 3.07 -1.99 -3.46 114.58 113.59 2ct4 h GLU 50 Ca 0.48 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 2ct4 h GLU 50 Cb 1.08 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2ct4 h GLU 50 CO -0.64 -0.17 0.00 0.41 -1.40 0.00 0.00 179.01 177.21 2ct4 n GLY 51 N -1.16 0.00 3.35 -3.84 0.00 0.56 -5.17 105.19 98.93 2ct4 n GLY 51 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 1.44 0.03 -0.02 0.00 -1.24 -4.95 107.32 102.58 2ct4 s GLY 52 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2ct4 s GLY 52 CO 0.00 -1.28 -0.04 -0.54 0.00 0.00 0.00 173.10 171.24 2ct4 s GLU 53 N -1.67 0.43 -0.04 2.90 2.02 -1.26 -1.27 118.70 119.81 2ct4 s GLU 53 Ca 0.12 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 2ct4 s GLU 53 Cb -0.10 0.02 0.12 0.00 0.10 0.00 0.00 34.13 34.27 2ct4 s GLU 53 CO 0.04 -0.04 1.33 0.20 0.02 0.00 0.00 175.26 176.81 2ct4 s GLY 54 N -1.80 -0.35 -0.47 -1.39 0.00 -1.22 -4.51 107.32 97.59 2ct4 s GLY 54 Ca -0.10 0.55 -0.19 0.00 0.00 0.00 0.00 44.72 44.98 2ct4 s GLY 54 CO -0.02 1.99 0.60 -0.19 0.00 0.00 0.00 173.10 175.48 2ct4 s TYR 55 N -2.20 3.07 0.11 1.90 2.02 -1.26 -2.96 117.35 118.04 2ct4 s TYR 55 Ca 0.19 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.60 2ct4 s TYR 55 Cb 0.04 -3.36 -0.04 0.00 -0.40 0.00 0.00 41.96 38.20 2ct4 s TYR 55 CO -0.04 -0.92 0.05 0.14 -1.57 0.00 0.00 175.55 173.21 2ct4 s VAL 56 N 2.62 4.24 -0.15 0.71 -7.23 -0.91 -4.42 120.40 115.25 2ct4 s VAL 56 Ca 0.17 -0.98 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 2ct4 s VAL 56 Cb -0.17 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 2ct4 s VAL 56 CO 0.15 0.06 1.57 -2.16 -0.31 0.00 0.00 175.10 174.40 2ct4 s PRO 57 N -2.54 4.01 0.38 4.82 0.04 -1.26 -0.26 135.00 140.18 2ct4 s PRO 57 Ca 0.28 1.84 0.19 0.00 0.04 0.00 0.00 61.00 63.35 2ct4 s PRO 57 Cb -0.11 -3.97 1.13 0.00 0.04 0.00 0.00 34.50 31.59 2ct4 s PRO 57 CO 0.20 -1.04 1.72 1.15 0.04 0.00 0.00 177.00 179.08 2ct4 h THR 58 N 5.83 0.41 -0.91 1.26 2.02 -1.14 0.47 112.91 120.85 2ct4 h THR 58 Ca -0.34 -0.12 0.21 0.00 0.77 0.00 0.00 66.41 66.92 2ct4 h THR 58 Cb 1.15 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 2ct4 h THR 58 CO 0.98 0.06 0.60 0.28 0.37 0.00 0.00 175.52 177.82 2ct4 h SER 59 N 0.35 0.41 -0.42 4.18 0.02 -1.90 0.57 113.55 116.76 2ct4 h SER 59 Ca 0.67 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.55 2ct4 h SER 59 Cb 1.70 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 64.14 2ct4 h SER 59 CO -0.40 0.16 0.14 -1.22 -1.14 0.00 0.00 176.83 174.37 2ct4 n TYR 60 N -4.52 1.40 -4.08 3.45 4.02 0.16 -4.80 117.16 112.80 2ct4 n TYR 60 Ca 0.20 -0.74 -0.25 0.00 -0.01 0.00 0.00 57.90 57.10 2ct4 n TYR 60 Cb 0.71 -0.45 -0.17 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.69 1.23 -0.37 7.72 1.43 0.20 -1.71 118.68 125.49 2ct4 s LEU 61 Ca 0.32 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2ct4 s LEU 61 Cb 0.25 -0.72 0.08 0.00 0.03 0.00 0.00 46.19 45.83 2ct4 s LEU 61 CO 0.08 -0.08 0.13 -0.60 0.23 0.00 0.00 176.35 176.10 2ct4 s ARG 62 N 1.39 2.27 0.31 1.70 3.52 -1.02 -4.95 118.95 122.16 2ct4 s ARG 62 Ca -0.02 -1.53 -0.27 0.00 -0.13 0.00 0.00 55.73 53.78 2ct4 s ARG 62 Cb -0.14 -3.45 -0.14 0.00 -1.56 0.00 0.00 34.95 29.66 2ct4 s ARG 62 CO -0.04 -0.86 0.87 0.28 -0.81 0.00 0.00 175.30 174.74 2ct4 n VAL 63 N 4.66 2.01 -2.97 7.11 0.31 -1.26 -2.74 118.33 125.44 2ct4 n VAL 63 Ca -0.08 -0.50 -0.44 0.00 -0.01 0.00 0.00 64.34 63.31 2ct4 n VAL 63 Cb 0.43 -0.80 -0.03 0.00 -0.91 0.00 0.00 33.84 32.52 2ct4 n VAL 63 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2ct4 s THR 64 N -1.12 4.73 0.15 2.52 -4.23 0.06 -4.89 115.64 112.86 2ct4 s THR 64 Ca 0.60 -1.32 -0.17 0.00 -1.18 0.00 0.00 61.69 59.62 2ct4 s THR 64 Cb -0.71 -4.69 0.03 0.00 1.34 0.00 0.00 72.50 68.47 2ct4 s THR 64 CO 0.59 -1.40 0.45 -0.94 -0.54 0.00 0.00 174.62 172.78 2ct4 s SER 65 N 3.52 -0.25 0.00 3.99 1.04 -1.26 -4.84 113.70 115.89 2ct4 s SER 65 Ca 0.26 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2ct4 s SER 65 Cb -0.10 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2ct4 s SER 65 CO -0.03 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2ct4 n GLY 66 N -0.28 4.40 0.19 7.32 0.00 -1.26 -5.01 105.19 110.55 2ct4 n GLY 66 Ca -0.13 -2.11 0.14 0.00 0.00 0.00 0.00 46.02 43.91 2ct4 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ct4 h PRO 67 N 0.00 0.00 -7.55 1.61 0.13 -2.04 -3.44 132.00 120.72 2ct4 h PRO 67 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2ct4 h PRO 67 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 2ct4 h PRO 67 CO 0.00 0.00 0.35 -1.54 -0.23 0.00 0.00 178.00 176.58 2ct4 s SER 68 N -4.78 4.40 -1.60 1.44 1.04 -1.26 -4.07 113.70 108.87 2ct4 s SER 68 Ca 0.03 0.59 -0.16 0.00 0.48 0.00 0.00 55.95 56.89 2ct4 s SER 68 Cb 0.09 -1.07 0.16 0.00 0.10 0.00 0.00 66.02 65.30 2ct4 s SER 68 CO 0.44 -1.93 0.40 -1.54 0.98 0.00 0.00 173.24 171.59 2ct4 n SER 69 N -3.26 -0.99 0.00 7.02 3.41 -1.26 -5.11 113.62 113.42 2ct4 n SER 69 Ca 0.09 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 2ct4 n SER 69 Cb 0.61 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2ct4 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49