#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu8 s SER 2 N 0.00 -0.57 -0.08 1.61 0.01 -1.26 -5.09 113.70 108.32 2cu8 s SER 2 Ca 0.00 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.31 2cu8 s SER 2 Cb 0.00 0.59 -0.00 0.00 0.21 0.00 0.00 66.02 66.82 2cu8 s SER 2 CO 0.00 -0.94 -0.00 -1.28 0.41 0.00 0.00 173.24 171.43 2cu8 h SER 3 N 2.07 0.00 -0.14 2.44 0.87 -2.11 -3.51 113.55 113.17 2cu8 h SER 3 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2cu8 h SER 3 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2cu8 h SER 3 CO 0.38 0.40 0.00 0.61 -0.53 0.00 0.00 176.83 177.69 2cu8 n GLY 4 N 1.82 0.66 0.08 5.77 0.00 -1.26 -5.03 105.19 107.23 2cu8 n GLY 4 Ca -0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 2cu8 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cu8 h SER 5 N 0.00 0.00 -5.88 1.61 0.87 -2.07 -3.48 113.55 104.60 2cu8 h SER 5 Ca 0.00 -0.82 -0.40 0.00 -1.23 0.00 0.00 61.79 59.34 2cu8 h SER 5 Cb 0.00 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 62.08 2cu8 h SER 5 CO 0.00 1.08 -0.70 -1.20 -0.53 0.00 0.00 176.83 175.48 2cu8 n SER 6 N -4.58 -5.62 -0.21 6.23 7.64 -1.26 -4.64 113.62 111.18 2cu8 n SER 6 Ca -0.14 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.16 2cu8 n SER 6 Cb 0.50 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.78 2cu8 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cu8 n GLY 7 N -1.87 -0.66 3.63 0.23 0.00 -1.26 -4.98 105.19 100.28 2cu8 n GLY 7 Ca -0.03 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 2cu8 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cu8 s MET 8 N -2.89 4.02 -0.24 1.61 1.00 -1.26 -5.02 119.30 116.52 2cu8 s MET 8 Ca 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 55.69 56.47 2cu8 s MET 8 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 34.83 31.05 2cu8 s MET 8 CO 0.00 -0.82 0.11 0.00 0.00 0.00 0.00 175.02 174.31 2cu8 s ALA 9 N 3.38 3.38 0.56 3.03 0.00 -1.26 -5.07 121.76 125.78 2cu8 s ALA 9 Ca 0.40 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 2cu8 s ALA 9 Cb -0.13 -2.17 -0.08 0.00 0.00 0.00 0.00 23.12 20.74 2cu8 s ALA 9 CO 0.14 -0.29 0.63 0.45 0.00 0.00 0.00 175.76 176.70 2cu8 n SER 10 N 4.51 -0.58 -4.88 0.00 2.88 -1.26 -4.21 113.62 110.08 2cu8 n SER 10 Ca -0.16 0.77 -0.30 0.00 -1.33 0.00 0.00 58.87 57.86 2cu8 n SER 10 Cb 0.52 -1.22 0.03 0.00 -0.75 0.00 0.00 64.21 62.79 2cu8 n SER 10 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2cu8 s LYS 11 N -2.19 3.09 -0.20 -1.46 1.02 -1.26 -0.03 119.74 118.71 2cu8 s LYS 11 Ca 0.70 0.49 -0.13 0.00 0.02 0.00 0.00 55.97 57.04 2cu8 s LYS 11 Cb -0.45 -2.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2cu8 s LYS 11 CO 0.53 -0.85 0.28 0.00 -0.92 0.00 0.00 175.35 174.39 2cu8 n PRO 13 N 4.06 0.49 -0.05 0.00 -0.04 -1.26 0.95 135.00 139.15 2cu8 n PRO 13 Ca -0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 2cu8 n PRO 13 Cb 0.52 -1.16 -0.03 0.00 -0.04 0.00 0.00 33.50 32.78 2cu8 n PRO 13 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2cu8 n LYS 14 N -0.66 0.32 -0.32 0.54 3.00 -1.26 -4.73 118.16 115.04 2cu8 n LYS 14 Ca 0.04 0.13 0.07 0.00 -0.00 0.00 0.00 58.31 58.55 2cu8 n LYS 14 Cb 0.02 -1.05 0.21 0.00 0.00 0.00 0.00 35.03 34.21 2cu8 n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2cu8 n ASP 16 N -0.18 -0.53 -4.54 0.00 2.03 0.27 -4.89 116.55 108.70 2cu8 n ASP 16 Ca 0.17 -1.24 -0.24 0.00 0.52 0.00 0.00 54.79 54.00 2cu8 n ASP 16 Cb 0.69 -1.57 -0.09 0.00 -0.72 0.00 0.00 41.12 39.44 2cu8 n ASP 16 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cu8 s LYS 17 N -7.22 1.93 -0.48 -0.67 -0.14 -1.24 -4.71 119.74 107.21 2cu8 s LYS 17 Ca 0.44 -1.61 -0.27 0.00 -1.36 0.00 0.00 55.97 53.18 2cu8 s LYS 17 Cb -0.26 -1.94 -0.03 0.00 -1.68 0.00 0.00 37.83 33.92 2cu8 s LYS 17 CO 1.00 0.35 2.00 0.99 -0.76 0.00 0.00 175.35 178.93 2cu8 s THR 18 N -2.39 3.28 -0.37 2.17 2.01 -1.26 0.91 115.64 119.98 2cu8 s THR 18 Ca 0.30 0.21 -0.27 0.00 0.31 0.00 0.00 61.69 62.24 2cu8 s THR 18 Cb -0.06 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2cu8 s THR 18 CO 0.17 -0.51 2.18 -0.69 -0.69 0.00 0.00 174.62 175.08 2cu8 s VAL 19 N 9.22 3.12 0.05 3.82 1.01 0.96 -4.90 120.40 133.67 2cu8 s VAL 19 Ca 0.80 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 2cu8 s VAL 19 Cb -0.18 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 2cu8 s VAL 19 CO 0.26 -0.17 1.85 -0.31 0.00 0.00 0.00 175.10 176.74 2cu8 s TYR 20 N 9.56 1.72 0.44 5.22 1.51 -1.26 -4.41 117.35 130.13 2cu8 s TYR 20 Ca 0.93 -0.17 0.29 0.00 -1.01 0.00 0.00 57.07 57.11 2cu8 s TYR 20 Cb -0.24 -4.15 1.37 0.00 -0.11 0.00 0.00 41.96 38.84 2cu8 s TYR 20 CO 0.30 -4.94 1.66 0.35 -1.11 0.00 0.00 175.55 171.81 2cu8 h PHE 21 N 9.70 0.50 -0.23 2.71 3.04 -1.93 0.85 116.94 131.58 2cu8 h PHE 21 Ca -0.46 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.53 2cu8 h PHE 21 Cb 1.22 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.58 2cu8 h PHE 21 CO 0.89 -0.13 0.08 0.00 -2.02 0.00 0.00 178.31 177.13 2cu8 h ALA 22 N 1.57 0.26 -0.68 2.41 0.00 -2.01 -2.47 119.26 118.33 2cu8 h ALA 22 Ca 0.76 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.70 2cu8 h ALA 22 Cb 2.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.17 2cu8 h ALA 22 CO -0.35 -0.34 0.00 -0.85 0.00 0.00 0.00 179.25 177.71 2cu8 n GLU 23 N -5.04 3.08 -2.08 0.00 0.28 0.14 -4.95 120.64 112.07 2cu8 n GLU 23 Ca -0.02 -2.71 -0.42 0.00 -0.16 0.00 0.00 57.16 53.85 2cu8 n GLU 23 Cb 0.08 -1.66 -0.03 0.00 1.43 0.00 0.00 31.44 31.26 2cu8 n GLU 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2cu8 s LYS 24 N -1.30 4.19 -0.04 3.44 2.20 0.25 -4.20 119.74 124.28 2cu8 s LYS 24 Ca 0.48 2.09 0.06 0.00 -0.36 0.00 0.00 55.97 58.24 2cu8 s LYS 24 Cb 0.27 -3.95 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2cu8 s LYS 24 CO 0.29 -0.82 -0.22 0.54 -0.36 0.00 0.00 175.35 174.78 2cu8 s VAL 25 N 3.94 1.76 0.10 4.02 0.11 -1.13 -4.98 120.40 124.23 2cu8 s VAL 25 Ca 0.70 -0.92 -0.22 0.00 -2.93 0.00 0.00 61.98 58.61 2cu8 s VAL 25 Cb -0.31 -1.48 -0.07 0.00 -1.53 0.00 0.00 36.38 32.99 2cu8 s VAL 25 CO 0.27 0.50 0.65 -0.94 -3.33 0.00 0.00 175.10 172.24 2cu8 s SER 26 N -0.27 7.18 -0.29 3.54 1.04 -1.26 -1.87 113.70 121.77 2cu8 s SER 26 Ca 0.02 1.39 -0.13 0.00 0.48 0.00 0.00 55.95 57.71 2cu8 s SER 26 Cb -0.11 -2.41 0.13 0.00 0.10 0.00 0.00 66.02 63.73 2cu8 s SER 26 CO 0.01 0.24 0.79 -0.55 0.98 0.00 0.00 173.24 174.71 2cu8 s SER 27 N -1.04 -0.87 -1.29 7.02 0.15 0.28 -4.32 113.70 113.63 2cu8 s SER 27 Ca 0.32 1.26 -0.06 0.00 0.70 0.00 0.00 55.95 58.17 2cu8 s SER 27 Cb -0.21 1.80 0.04 0.00 -1.71 0.00 0.00 66.02 65.95 2cu8 s SER 27 CO 0.22 -0.18 0.39 0.18 1.20 0.00 0.00 173.24 175.04 2cu8 n LEU 28 N 4.85 -1.68 -0.82 3.45 4.32 -1.26 -0.18 117.00 125.68 2cu8 n LEU 28 Ca -0.14 -0.23 -0.07 0.00 -0.02 0.00 0.00 56.01 55.55 2cu8 n LEU 28 Cb 0.53 -2.31 -0.01 0.00 -1.62 0.00 0.00 43.42 40.02 2cu8 n LEU 28 CO -0.03 0.10 -0.09 0.61 -1.22 0.00 0.00 177.39 176.76 2cu8 n GLY 29 N -1.15 0.16 3.24 -0.72 0.00 -1.26 -5.03 105.19 100.43 2cu8 n GLY 29 Ca -0.07 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 2cu8 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cu8 s LYS 30 N -4.17 1.30 -0.24 1.61 1.02 0.75 -5.14 119.74 114.86 2cu8 s LYS 30 Ca 0.00 -1.70 0.02 0.00 0.02 0.00 0.00 55.97 54.32 2cu8 s LYS 30 Cb 0.00 0.14 0.05 0.00 -0.52 0.00 0.00 37.83 37.51 2cu8 s LYS 30 CO 0.00 -0.39 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.41 2cu8 s ASP 31 N -3.22 4.19 0.50 2.83 1.01 -1.26 -0.56 116.67 120.16 2cu8 s ASP 31 Ca 0.39 -1.23 0.01 0.00 0.71 0.00 0.00 52.55 52.43 2cu8 s ASP 31 Cb 0.07 -1.54 0.01 0.00 1.01 0.00 0.00 42.92 42.47 2cu8 s ASP 31 CO 0.14 -0.15 0.10 0.79 0.21 0.00 0.00 175.17 176.26 2cu8 n TRP 32 N 4.48 0.66 -2.73 4.23 7.02 -0.78 -4.39 117.44 125.93 2cu8 n TRP 32 Ca -0.15 -2.35 -0.21 0.00 -1.02 0.00 0.00 57.50 53.77 2cu8 n TRP 32 Cb 0.44 -0.35 0.03 0.00 -2.42 0.00 0.00 31.31 29.01 2cu8 n TRP 32 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2cu8 s HIS 33 N -2.71 2.90 -1.09 -5.99 3.76 -1.26 -2.82 115.29 108.08 2cu8 s HIS 33 Ca 0.08 -0.03 0.23 0.00 -0.15 0.00 0.00 55.06 55.19 2cu8 s HIS 33 Cb -0.01 -2.65 1.03 0.00 1.11 0.00 0.00 32.58 32.06 2cu8 s HIS 33 CO 0.05 -0.75 1.75 1.63 -0.85 0.00 0.00 174.74 176.57 2cu8 n LYS 34 N -2.25 0.07 -0.00 1.40 4.76 -1.26 -3.03 118.16 117.85 2cu8 n LYS 34 Ca 0.07 0.10 0.02 0.00 -2.87 0.00 0.00 58.31 55.63 2cu8 n LYS 34 Cb 0.59 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.25 2cu8 n LYS 34 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2cu8 n PHE 35 N -1.46 0.00 1.53 2.13 3.72 -1.26 -4.53 117.46 117.60 2cu8 n PHE 35 Ca 0.07 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.61 2cu8 n PHE 35 Cb 0.25 -0.08 0.58 0.00 -0.94 0.00 0.00 39.48 39.29 2cu8 n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cu8 n LEU 37 N -0.26 6.07 -4.28 0.00 7.94 -1.17 -4.81 117.00 120.48 2cu8 n LEU 37 Ca 0.18 -3.16 -0.30 0.00 -1.11 0.00 0.00 56.01 51.62 2cu8 n LEU 37 Cb 0.31 -0.91 -0.16 0.00 0.53 0.00 0.00 43.42 43.18 2cu8 n LEU 37 CO 0.19 1.09 -0.56 -0.54 -1.11 0.00 0.00 177.39 176.46 2cu8 s LYS 38 N -2.01 2.10 0.68 1.96 -0.14 -1.26 -3.56 119.74 117.51 2cu8 s LYS 38 Ca 0.34 -0.88 -0.17 0.00 -1.36 0.00 0.00 55.97 53.91 2cu8 s LYS 38 Cb 0.28 -1.96 -0.01 0.00 -1.68 0.00 0.00 37.83 34.46 2cu8 s LYS 38 CO 0.02 0.49 1.09 0.00 -0.76 0.00 0.00 175.35 176.19 2cu8 n GLU 40 N -1.77 0.66 -0.06 0.00 4.07 -1.26 -2.94 120.64 119.33 2cu8 n GLU 40 Ca 0.14 -0.17 -0.04 0.00 -0.06 0.00 0.00 57.16 57.03 2cu8 n GLU 40 Cb 0.49 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 30.34 2cu8 n GLU 40 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2cu8 h ARG 41 N 0.00 0.00 0.02 5.31 2.43 -1.92 -3.41 114.38 116.81 2cu8 h ARG 41 Ca -0.06 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.76 2cu8 h ARG 41 Cb 1.11 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 2cu8 h ARG 41 CO 0.00 0.16 -2.18 0.00 -1.51 0.00 0.00 179.97 176.44 2cu8 n SER 43 N -3.10 -2.34 -4.38 0.00 2.88 -1.15 -5.02 113.62 100.51 2cu8 n SER 43 Ca -0.33 -0.28 -0.33 0.00 -1.33 0.00 0.00 58.87 56.61 2cu8 n SER 43 Cb 1.07 -2.52 -0.14 0.00 -0.75 0.00 0.00 64.21 61.86 2cu8 n SER 43 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2cu8 s LYS 44 N -4.43 3.38 -0.36 -1.46 2.20 -1.26 -4.83 119.74 112.99 2cu8 s LYS 44 Ca 0.03 -0.67 -0.37 0.00 -0.36 0.00 0.00 55.97 54.60 2cu8 s LYS 44 Cb -0.00 -2.64 -0.16 0.00 -1.51 0.00 0.00 37.83 33.51 2cu8 s LYS 44 CO 0.32 0.23 1.24 2.41 -0.36 0.00 0.00 175.35 179.19 2cu8 n THR 45 N 3.48 0.00 -3.35 3.43 -1.04 -1.26 -4.09 114.28 111.45 2cu8 n THR 45 Ca -0.18 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.61 2cu8 n THR 45 Cb 0.53 -0.36 0.04 0.00 -1.82 0.00 0.00 70.33 68.72 2cu8 n THR 45 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2cu8 n LEU 46 N 3.00 0.00 -4.05 -4.42 4.77 -1.23 -5.01 117.00 110.05 2cu8 n LEU 46 Ca 0.24 -2.62 -0.26 0.00 -0.03 0.00 0.00 56.01 53.34 2cu8 n LEU 46 Cb -0.03 -0.28 -0.17 0.00 -2.33 0.00 0.00 43.42 40.61 2cu8 n LEU 46 CO 0.70 -0.66 -0.48 -0.89 -1.33 0.00 0.00 177.39 174.72 2cu8 s THR 47 N -2.63 1.30 -0.93 -5.08 2.01 -1.26 -5.01 115.64 104.05 2cu8 s THR 47 Ca 0.50 -0.57 -0.24 0.00 0.31 0.00 0.00 61.69 61.69 2cu8 s THR 47 Cb -0.04 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 2cu8 s THR 47 CO 0.32 0.39 1.94 -2.16 -0.69 0.00 0.00 174.62 174.42 2cu8 s PRO 48 N 0.69 2.55 0.00 4.92 0.04 -1.26 -2.82 135.00 139.12 2cu8 s PRO 48 Ca -0.14 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.52 2cu8 s PRO 48 Cb -0.16 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2cu8 s PRO 48 CO 0.04 -3.44 0.00 0.41 0.04 0.00 0.00 177.00 174.05 2cu8 n GLY 49 N 6.75 0.78 2.66 0.56 0.00 -1.26 -4.76 105.19 109.92 2cu8 n GLY 49 Ca 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.39 2cu8 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cu8 n GLY 50 N 0.00 -1.89 3.63 -0.02 0.00 -1.13 -4.97 105.19 100.81 2cu8 n GLY 50 Ca 0.00 1.06 -0.06 0.00 0.00 0.00 0.00 46.02 47.02 2cu8 n GLY 50 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2cu8 s HIS 51 N 0.04 -0.26 0.41 1.61 -3.43 -1.26 -4.69 115.29 107.71 2cu8 s HIS 51 Ca 0.24 0.02 0.02 0.00 -0.80 0.00 0.00 55.06 54.53 2cu8 s HIS 51 Cb 0.23 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.96 2cu8 s HIS 51 CO -0.10 -0.74 0.61 0.00 -2.00 0.00 0.00 174.74 172.51 2cu8 s ALA 52 N -3.30 3.84 -0.00 -1.38 0.00 -1.09 -4.93 121.76 114.88 2cu8 s ALA 52 Ca 0.08 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.88 2cu8 s ALA 52 Cb -0.01 -2.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.06 2cu8 s ALA 52 CO -0.03 -0.26 0.10 -1.83 0.00 0.00 0.00 175.76 173.74 2cu8 s GLU 53 N -4.45 0.39 -0.15 0.00 -1.05 -1.26 -0.86 118.70 111.32 2cu8 s GLU 53 Ca 0.46 -0.33 -0.06 0.00 -0.15 0.00 0.00 54.97 54.90 2cu8 s GLU 53 Cb -0.10 0.16 0.07 0.00 -0.44 0.00 0.00 34.13 33.82 2cu8 s GLU 53 CO 0.36 -0.08 0.33 -1.58 0.95 0.00 0.00 175.26 175.24 2cu8 s HIS 54 N -1.11 -0.55 -1.90 4.83 2.46 0.98 -4.87 115.29 115.12 2cu8 s HIS 54 Ca -0.12 1.17 0.00 0.00 0.47 0.00 0.00 55.06 56.58 2cu8 s HIS 54 Cb -0.07 0.13 0.00 0.00 -0.13 0.00 0.00 32.58 32.52 2cu8 s HIS 54 CO 0.01 -0.37 0.00 -3.47 -2.47 0.00 0.00 174.74 168.44 2cu8 n ASP 55 N 4.99 -5.58 0.00 9.88 2.03 -1.26 -1.39 116.55 125.22 2cu8 n ASP 55 Ca -0.13 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2cu8 n ASP 55 Cb 0.51 -4.71 0.00 0.00 -0.72 0.00 0.00 41.12 36.20 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cu8 n GLY 56 N -0.79 0.57 2.93 0.27 0.00 -1.26 -5.06 105.19 101.85 2cu8 n GLY 56 Ca -0.22 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 2cu8 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cu8 s LYS 57 N -2.44 0.89 0.44 1.61 -0.14 -0.48 -4.48 119.74 115.14 2cu8 s LYS 57 Ca 0.00 -0.17 -0.24 0.00 -1.36 0.00 0.00 55.97 54.20 2cu8 s LYS 57 Cb 0.00 -0.86 -0.08 0.00 -1.68 0.00 0.00 37.83 35.22 2cu8 s LYS 57 CO 0.00 -0.02 1.17 -1.25 -0.76 0.00 0.00 175.35 174.49 2cu8 s PRO 58 N 0.69 3.86 -0.20 -1.68 0.04 -1.26 -0.01 135.00 136.43 2cu8 s PRO 58 Ca -0.10 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2cu8 s PRO 58 Cb -0.13 -2.50 0.06 0.00 0.04 0.00 0.00 34.50 31.97 2cu8 s PRO 58 CO 0.01 -0.48 0.49 -0.06 0.04 0.00 0.00 177.00 177.00 2cu8 s PHE 59 N -1.49 -0.71 0.54 0.56 0.08 -0.04 -4.04 117.98 112.87 2cu8 s PHE 59 Ca 0.61 1.51 -0.19 0.00 0.12 0.00 0.00 56.93 58.98 2cu8 s PHE 59 Cb -0.30 0.35 -0.09 0.00 -0.57 0.00 0.00 43.02 42.41 2cu8 s PHE 59 CO 0.36 -0.38 0.59 0.00 -0.10 0.00 0.00 175.22 175.69 2cu8 h HIS 61 N 0.42 0.52 0.00 0.00 3.86 -1.93 -0.33 115.15 117.69 2cu8 h HIS 61 Ca -0.45 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 2cu8 h HIS 61 Cb 1.39 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.79 2cu8 h HIS 61 CO 0.33 -0.26 0.00 0.36 0.86 0.00 0.00 177.93 179.22 2cu8 n LYS 62 N -5.21 0.00 0.21 2.45 2.85 -1.26 -3.51 118.16 113.68 2cu8 n LYS 62 Ca 0.26 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.67 2cu8 n LYS 62 Cb 0.85 0.00 0.60 0.00 -0.65 0.00 0.00 35.03 35.83 2cu8 n LYS 62 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2cu8 h PRO 63 N 0.00 0.00 0.00 -1.58 0.13 -2.00 -3.46 132.00 125.09 2cu8 h PRO 63 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2cu8 h PRO 63 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2cu8 h PRO 63 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 2cu8 h TYR 65 N 0.00 -0.79 -0.45 0.00 5.03 -1.16 -2.71 116.97 116.89 2cu8 h TYR 65 Ca 0.00 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.38 2cu8 h TYR 65 Cb 0.00 0.35 -0.05 0.00 1.55 0.00 0.00 36.73 38.58 2cu8 h TYR 65 CO -0.11 -0.38 -0.27 0.00 -1.32 0.00 0.00 178.16 176.08 2cu8 n ALA 66 N -2.73 -0.29 -0.04 1.82 0.00 0.22 -1.40 120.51 118.09 2cu8 n ALA 66 Ca -0.05 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 2cu8 n ALA 66 Cb 0.31 0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 2cu8 n ALA 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2cu8 h THR 67 N 0.00 0.00 -1.20 0.00 2.02 -0.04 0.11 112.91 113.81 2cu8 h THR 67 Ca 0.07 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.67 2cu8 h THR 67 Cb 0.19 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.47 2cu8 h THR 67 CO -0.42 0.00 0.76 0.18 0.37 0.00 0.00 175.52 176.41 2cu8 n LEU 68 N -3.48 0.20 -4.10 2.58 4.77 -0.85 -1.92 117.00 114.20 2cu8 n LEU 68 Ca -0.01 1.24 -0.36 0.00 -0.03 0.00 0.00 56.01 56.85 2cu8 n LEU 68 Cb 0.10 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 2cu8 n LEU 68 CO 0.00 -1.36 0.31 -0.36 -1.33 0.00 0.00 177.39 174.66 2cu8 s PHE 69 N -5.08 3.84 -0.01 -1.77 0.40 0.38 -5.01 117.98 110.74 2cu8 s PHE 69 Ca -0.07 -3.00 -0.11 0.00 -0.60 0.00 0.00 56.93 53.15 2cu8 s PHE 69 Cb 0.28 -3.23 0.04 0.00 0.51 0.00 0.00 43.02 40.61 2cu8 s PHE 69 CO 0.72 -0.75 0.52 0.41 0.70 0.00 0.00 175.22 176.82 2cu8 n GLY 70 N 2.45 0.45 3.72 4.36 0.00 -0.81 -4.79 105.19 110.57 2cu8 n GLY 70 Ca 0.20 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2cu8 n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cu8 s SER 71 N -2.14 7.20 0.00 1.61 0.15 -1.26 -5.04 113.70 114.22 2cu8 s SER 71 Ca 0.12 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.22 2cu8 s SER 71 Cb -0.00 -2.49 -0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2cu8 s SER 71 CO -0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2cu8 n GLY 72 N 2.90 4.08 3.55 9.45 0.00 -1.26 -5.08 105.19 118.83 2cu8 n GLY 72 Ca 0.02 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 2cu8 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cu8 s PRO 73 N -2.01 2.62 0.34 1.61 0.04 -1.26 -4.96 135.00 131.39 2cu8 s PRO 73 Ca 0.00 0.56 0.05 0.00 0.04 0.00 0.00 61.00 61.65 2cu8 s PRO 73 Cb 0.00 -4.43 -0.07 0.00 0.04 0.00 0.00 34.50 30.05 2cu8 s PRO 73 CO 0.00 -2.77 0.03 -1.12 0.04 0.00 0.00 177.00 173.17 2cu8 s SER 74 N 8.11 2.89 0.55 6.66 0.01 -1.26 -5.16 113.70 125.51 2cu8 s SER 74 Ca 0.67 -1.35 -0.00 0.00 1.31 0.00 0.00 55.95 56.59 2cu8 s SER 74 Cb -0.12 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 65.94 2cu8 s SER 74 CO 0.19 -0.52 0.79 -0.44 0.41 0.00 0.00 173.24 173.68 2cu8 s SER 75 N -3.55 5.33 0.00 2.44 0.01 -1.26 -5.31 113.70 111.36 2cu8 s SER 75 Ca 0.35 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2cu8 s SER 75 Cb 0.08 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2cu8 s SER 75 CO 0.16 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.30