#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 4.80 0.03 1.61 0.01 -1.26 -5.05 113.70 113.85 2cu8 s SER 2 Ca 0.00 -0.42 -0.24 0.00 1.31 0.00 0.00 55.95 56.61 2cu8 s SER 2 Cb 0.00 -1.03 -0.17 0.00 0.21 0.00 0.00 66.02 65.04 2cu8 s SER 2 CO 0.00 0.07 1.49 0.28 0.41 0.00 0.00 173.24 175.49 2cu8 h SER 3 N 2.51 0.05 0.00 2.44 0.02 -2.15 -3.49 113.55 112.93 2cu8 h SER 3 Ca -0.47 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2cu8 h SER 3 Cb 1.21 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2cu8 h SER 3 CO 0.59 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 2cu8 n GLY 4 N -0.37 0.56 3.33 -3.77 0.00 -1.26 -5.10 105.19 98.58 2cu8 n GLY 4 Ca -0.07 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 2cu8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cu8 s SER 5 N 0.00 4.53 0.12 1.61 1.04 -1.26 -5.10 113.70 114.64 2cu8 s SER 5 Ca 0.00 -0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.05 2cu8 s SER 5 Cb 0.00 -1.78 -0.04 0.00 0.10 0.00 0.00 66.02 64.30 2cu8 s SER 5 CO 0.00 -0.05 -0.17 -0.55 0.98 0.00 0.00 173.24 173.45 2cu8 s SER 6 N 1.49 2.25 0.00 7.02 0.15 -1.26 -5.14 113.70 118.21 2cu8 s SER 6 Ca 0.05 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2cu8 s SER 6 Cb -0.15 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2cu8 s SER 6 CO -0.02 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2cu8 n GLY 7 N 0.78 1.40 2.86 9.45 0.00 -1.26 -5.12 105.19 113.30 2cu8 n GLY 7 Ca -0.17 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.39 1.15 -0.19 1.61 1.00 -1.26 -5.08 119.30 115.13 2cu8 s MET 8 Ca 0.00 -1.57 -0.27 0.00 0.00 0.00 0.00 55.69 53.84 2cu8 s MET 8 Cb 0.00 -2.60 0.09 0.00 0.00 0.00 0.00 34.83 32.32 2cu8 s MET 8 CO 0.00 -0.99 0.83 0.00 0.00 0.00 0.00 175.02 174.86 2cu8 s ALA 9 N 1.11 -1.85 0.17 3.03 0.00 -1.26 -5.14 121.76 117.82 2cu8 s ALA 9 Ca 0.11 1.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.50 2cu8 s ALA 9 Cb -0.19 -0.84 -0.17 0.00 0.00 0.00 0.00 23.12 21.91 2cu8 s ALA 9 CO -0.14 -0.32 0.65 0.43 0.00 0.00 0.00 175.76 176.38 2cu8 n SER 10 N 1.77 -0.87 -4.70 0.00 7.64 -1.26 -4.54 113.62 111.66 2cu8 n SER 10 Ca -0.14 1.14 -0.23 0.00 1.01 0.00 0.00 58.87 60.64 2cu8 n SER 10 Cb 0.56 -0.97 0.10 0.00 -1.01 0.00 0.00 64.21 62.90 2cu8 n SER 10 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cu8 s LYS 11 N -0.84 1.72 -0.23 1.43 3.01 -1.26 -1.97 119.74 121.60 2cu8 s LYS 11 Ca 0.69 -1.14 -0.10 0.00 -1.01 0.00 0.00 55.97 54.40 2cu8 s LYS 11 Cb -0.98 -2.35 -0.05 0.00 -1.01 0.00 0.00 37.83 33.45 2cu8 s LYS 11 CO 0.56 -1.41 0.14 0.00 0.51 0.00 0.00 175.35 175.16 2cu8 n PRO 13 N 4.15 0.49 -0.11 0.00 -0.04 -1.26 0.17 135.00 138.40 2cu8 n PRO 13 Ca -0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 2cu8 n PRO 13 Cb 0.52 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.84 0.48 -0.35 0.54 3.00 -1.26 -4.72 118.16 115.00 2cu8 n LYS 14 Ca 0.08 0.18 0.07 0.00 -0.00 0.00 0.00 58.31 58.64 2cu8 n LYS 14 Cb 0.04 -1.31 0.12 0.00 0.00 0.00 0.00 35.03 33.87 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 -0.96 -0.59 -4.43 0.00 2.03 0.46 -4.86 116.55 108.20 2cu8 n ASP 16 Ca 0.13 -0.90 -0.27 0.00 0.52 0.00 0.00 54.79 54.26 2cu8 n ASP 16 Cb 0.70 -1.11 -0.12 0.00 -0.72 0.00 0.00 41.12 39.87 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 -6.31 1.54 -0.66 -0.67 1.02 -1.23 -4.72 119.74 108.71 2cu8 s LYS 17 Ca 0.12 -1.49 -0.26 0.00 0.02 0.00 0.00 55.97 54.37 2cu8 s LYS 17 Cb -0.07 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 2cu8 s LYS 17 CO 0.69 0.41 1.92 0.99 -0.92 0.00 0.00 175.35 178.44 2cu8 s THR 18 N -1.60 3.34 0.12 2.17 2.01 -1.26 0.81 115.64 121.24 2cu8 s THR 18 Ca 0.20 0.09 -0.31 0.00 0.31 0.00 0.00 61.69 61.98 2cu8 s THR 18 Cb -0.08 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 2cu8 s THR 18 CO 0.10 -0.85 1.63 -0.69 -0.69 0.00 0.00 174.62 174.11 2cu8 s VAL 19 N 9.52 2.77 0.22 3.82 1.01 -0.83 -4.96 120.40 131.95 2cu8 s VAL 19 Ca 0.70 0.42 0.08 0.00 0.00 0.00 0.00 61.98 63.18 2cu8 s VAL 19 Cb -0.12 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2cu8 s VAL 19 CO 0.17 0.02 0.00 -0.31 0.00 0.00 0.00 175.10 174.98 2cu8 s TYR 20 N 1.91 2.77 0.35 5.22 2.02 -1.26 -4.70 117.35 123.67 2cu8 s TYR 20 Ca 0.73 -0.18 0.17 0.00 -0.37 0.00 0.00 57.07 57.41 2cu8 s TYR 20 Cb -0.42 -1.29 1.16 0.00 -0.40 0.00 0.00 41.96 41.00 2cu8 s TYR 20 CO 0.32 0.56 1.65 0.35 -1.57 0.00 0.00 175.55 176.86 2cu8 h PHE 21 N 2.29 0.88 -0.94 2.71 3.57 -1.95 1.19 116.94 124.69 2cu8 h PHE 21 Ca -0.46 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.24 2cu8 h PHE 21 Cb 1.23 -0.23 -0.16 0.00 2.79 0.00 0.00 35.95 39.57 2cu8 h PHE 21 CO 0.65 -0.22 -0.32 0.00 -2.23 0.00 0.00 178.31 176.18 2cu8 h ALA 22 N 1.85 0.33 0.00 2.41 0.00 -2.01 -1.99 119.26 119.85 2cu8 h ALA 22 Ca 0.76 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.97 2cu8 h ALA 22 Cb 1.83 0.88 0.00 0.00 0.00 0.00 0.00 17.79 20.49 2cu8 h ALA 22 CO -0.61 -0.53 -0.05 0.39 0.00 0.00 0.00 179.25 178.44 2cu8 n GLU 23 N -5.52 1.45 -1.85 0.00 1.02 0.06 -5.00 120.64 110.80 2cu8 n GLU 23 Ca 0.12 -2.14 -0.32 0.00 -0.02 0.00 0.00 57.16 54.80 2cu8 n GLU 23 Cb 0.43 -1.27 -0.04 0.00 -0.02 0.00 0.00 31.44 30.54 2cu8 n GLU 23 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2cu8 s LYS 24 N -2.12 2.32 -0.24 3.49 2.20 0.39 -4.10 119.74 121.68 2cu8 s LYS 24 Ca 0.21 0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 56.41 2cu8 s LYS 24 Cb 0.19 -4.64 0.01 0.00 -1.51 0.00 0.00 37.83 31.89 2cu8 s LYS 24 CO 0.02 -3.26 -0.05 0.54 -0.36 0.00 0.00 175.35 172.24 2cu8 s VAL 25 N 10.93 3.06 0.41 4.02 0.11 -1.12 -4.90 120.40 132.90 2cu8 s VAL 25 Ca 0.79 -0.83 -0.24 0.00 -2.93 0.00 0.00 61.98 58.77 2cu8 s VAL 25 Cb -0.13 -2.49 -0.09 0.00 -1.53 0.00 0.00 36.38 32.15 2cu8 s VAL 25 CO 0.16 0.28 1.10 -0.94 -3.33 0.00 0.00 175.10 172.37 2cu8 s SER 26 N 1.38 6.61 -0.30 3.54 1.04 -1.26 -2.28 113.70 122.43 2cu8 s SER 26 Ca 0.02 2.17 -0.17 0.00 0.48 0.00 0.00 55.95 58.45 2cu8 s SER 26 Cb -0.16 -2.60 0.18 0.00 0.10 0.00 0.00 66.02 63.55 2cu8 s SER 26 CO -0.04 -0.60 1.13 -0.55 0.98 0.00 0.00 173.24 174.16 2cu8 s SER 27 N -1.40 -0.31 -1.48 7.02 0.15 -0.75 -4.41 113.70 112.51 2cu8 s SER 27 Ca 0.58 0.45 -0.01 0.00 0.70 0.00 0.00 55.95 57.67 2cu8 s SER 27 Cb -0.26 1.29 0.01 0.00 -1.71 0.00 0.00 66.02 65.35 2cu8 s SER 27 CO 0.32 -0.07 0.13 0.18 1.20 0.00 0.00 173.24 175.00 2cu8 n LEU 28 N 4.29 -1.77 -0.58 3.45 4.32 -1.26 -0.46 117.00 124.99 2cu8 n LEU 28 Ca -0.11 -0.01 -0.08 0.00 -0.02 0.00 0.00 56.01 55.79 2cu8 n LEU 28 Cb 0.55 -2.64 -0.03 0.00 -1.62 0.00 0.00 43.42 39.68 2cu8 n LEU 28 CO -0.02 -0.10 -0.07 0.61 -1.22 0.00 0.00 177.39 176.60 2cu8 n GLY 29 N -1.04 0.96 3.61 -0.72 0.00 -1.26 -5.01 105.19 101.73 2cu8 n GLY 29 Ca -0.18 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.58 2.01 -0.24 1.61 -0.14 0.39 -5.14 119.74 115.65 2cu8 s LYS 30 Ca 0.00 -2.23 0.01 0.00 -1.36 0.00 0.00 55.97 52.39 2cu8 s LYS 30 Cb 0.00 -1.08 0.06 0.00 -1.68 0.00 0.00 37.83 35.13 2cu8 s LYS 30 CO 0.00 -0.37 -0.06 -0.51 -0.76 0.00 0.00 175.35 173.66 2cu8 s ASP 31 N -3.71 3.94 0.25 2.83 1.11 -1.26 -1.81 116.67 118.02 2cu8 s ASP 31 Ca 0.19 -1.22 0.01 0.00 0.18 0.00 0.00 52.55 51.71 2cu8 s ASP 31 Cb 0.03 -1.23 0.01 0.00 1.07 0.00 0.00 42.92 42.80 2cu8 s ASP 31 CO 0.10 -0.23 0.07 0.79 1.18 0.00 0.00 175.17 177.08 2cu8 n TRP 32 N 4.64 -0.05 -4.03 4.23 7.02 -0.97 -4.15 117.44 124.12 2cu8 n TRP 32 Ca -0.12 -1.14 -0.22 0.00 -1.02 0.00 0.00 57.50 54.99 2cu8 n TRP 32 Cb 0.44 -0.18 -0.05 0.00 -2.42 0.00 0.00 31.31 29.10 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 -1.64 2.81 -0.60 -5.99 3.76 -1.26 -2.80 115.29 109.57 2cu8 s HIS 33 Ca 0.05 -0.31 0.20 0.00 -0.15 0.00 0.00 55.06 54.85 2cu8 s HIS 33 Cb -0.00 -1.62 0.86 0.00 1.11 0.00 0.00 32.58 32.93 2cu8 s HIS 33 CO 0.03 0.34 1.60 1.63 -0.85 0.00 0.00 174.74 177.50 2cu8 n LYS 34 N -1.20 0.13 -0.00 1.40 4.01 -1.26 -1.74 118.16 119.51 2cu8 n LYS 34 Ca -0.03 0.42 0.04 0.00 -0.51 0.00 0.00 58.31 58.23 2cu8 n LYS 34 Cb 0.60 -1.77 -0.06 0.00 -0.51 0.00 0.00 35.03 33.29 2cu8 n LYS 34 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2cu8 n PHE 35 N -2.02 0.00 1.03 2.13 3.72 -1.26 -4.45 117.46 116.61 2cu8 n PHE 35 Ca 0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.53 2cu8 n PHE 35 Cb 0.18 -0.04 0.04 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.18 4.12 -4.92 0.00 7.94 -0.71 -4.78 117.00 118.47 2cu8 n LEU 37 Ca 0.09 -2.13 -0.28 0.00 -1.11 0.00 0.00 56.01 52.59 2cu8 n LEU 37 Cb 0.45 -0.63 -0.03 0.00 0.53 0.00 0.00 43.42 43.73 2cu8 n LEU 37 CO 0.29 0.59 0.05 -0.54 -1.11 0.00 0.00 177.39 176.68 2cu8 s LYS 38 N -1.84 3.55 0.40 1.96 -0.14 -1.26 -3.16 119.74 119.26 2cu8 s LYS 38 Ca 0.29 -0.26 -0.23 0.00 -1.36 0.00 0.00 55.97 54.41 2cu8 s LYS 38 Cb 0.23 -2.81 -0.10 0.00 -1.68 0.00 0.00 37.83 33.47 2cu8 s LYS 38 CO 0.07 0.38 0.99 0.00 -0.76 0.00 0.00 175.35 176.03 2cu8 n GLU 40 N -0.23 2.33 -0.06 0.00 4.07 -1.24 -2.77 120.64 122.75 2cu8 n GLU 40 Ca 0.06 -1.99 -0.11 0.00 -0.06 0.00 0.00 57.16 55.06 2cu8 n GLU 40 Cb 0.52 -1.49 -0.04 0.00 -0.06 0.00 0.00 31.44 30.37 2cu8 n GLU 40 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2cu8 n ARG 41 N 1.26 0.38 -0.46 5.31 3.00 -1.26 -4.71 116.66 120.18 2cu8 n ARG 41 Ca 0.18 0.16 0.08 0.00 -0.00 0.00 0.00 57.85 58.27 2cu8 n ARG 41 Cb 0.56 -1.16 0.27 0.00 0.00 0.00 0.00 32.46 32.12 2cu8 n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cu8 n SER 43 N -0.30 -1.04 -4.94 0.00 7.64 -1.11 -4.85 113.62 109.03 2cu8 n SER 43 Ca 0.21 -0.39 -0.27 0.00 1.01 0.00 0.00 58.87 59.43 2cu8 n SER 43 Cb 0.88 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 63.11 2cu8 n SER 43 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2cu8 s LYS 44 N -4.58 3.44 0.24 1.43 2.20 -1.26 -4.76 119.74 116.45 2cu8 s LYS 44 Ca 0.35 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 2cu8 s LYS 44 Cb -0.21 -2.98 -0.10 0.00 -1.51 0.00 0.00 37.83 33.04 2cu8 s LYS 44 CO 0.43 0.54 1.40 0.99 -0.36 0.00 0.00 175.35 178.35 2cu8 s THR 45 N -1.69 2.80 0.15 3.43 2.01 -1.26 -1.87 115.64 119.20 2cu8 s THR 45 Ca 0.35 0.68 0.07 0.00 0.31 0.00 0.00 61.69 63.10 2cu8 s THR 45 Cb -0.11 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2cu8 s THR 45 CO 0.28 0.11 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.53 2cu8 s LEU 46 N -0.43 3.22 -0.22 4.42 1.43 -1.19 -4.92 118.68 120.99 2cu8 s LEU 46 Ca 0.58 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 2cu8 s LEU 46 Cb -0.40 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2cu8 s LEU 46 CO 0.43 0.13 0.51 -0.89 0.23 0.00 0.00 176.35 176.75 2cu8 s THR 47 N -1.54 5.10 -0.82 5.49 2.01 -1.26 -4.93 115.64 119.69 2cu8 s THR 47 Ca 0.25 0.91 -0.25 0.00 0.31 0.00 0.00 61.69 62.92 2cu8 s THR 47 Cb -0.10 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2cu8 s THR 47 CO 0.17 0.15 1.92 -2.16 -0.69 0.00 0.00 174.62 174.01 2cu8 s PRO 48 N 1.85 2.58 0.00 4.92 0.04 -1.26 -3.09 135.00 140.04 2cu8 s PRO 48 Ca 0.23 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2cu8 s PRO 48 Cb -0.15 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.51 2cu8 s PRO 48 CO 0.09 -3.19 0.00 0.41 0.04 0.00 0.00 177.00 174.35 2cu8 n GLY 49 N 6.54 0.54 0.00 0.56 0.00 -1.26 -4.76 105.19 106.81 2cu8 n GLY 49 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.87 3.85 -0.02 0.00 -1.18 -4.99 105.19 100.98 2cu8 n GLY 50 Ca 0.00 0.84 -0.07 0.00 0.00 0.00 0.00 46.02 46.79 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 0.00 -0.15 0.37 1.61 -0.00 -1.26 -4.75 115.29 111.11 2cu8 s HIS 51 Ca 0.00 -0.32 0.03 0.00 -0.00 0.00 0.00 55.06 54.77 2cu8 s HIS 51 Cb 0.00 0.72 -0.01 0.00 -0.00 0.00 0.00 32.58 33.29 2cu8 s HIS 51 CO 0.00 -1.24 0.55 0.00 -0.00 0.00 0.00 174.74 174.05 2cu8 s ALA 52 N -3.67 3.94 0.03 -1.38 0.00 -1.17 -5.00 121.76 114.51 2cu8 s ALA 52 Ca 0.12 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2cu8 s ALA 52 Cb -0.05 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 2cu8 s ALA 52 CO 0.07 -0.14 -0.05 -1.83 0.00 0.00 0.00 175.76 173.81 2cu8 s GLU 53 N -4.32 0.40 -0.21 0.00 1.03 -1.26 -1.36 118.70 112.97 2cu8 s GLU 53 Ca 0.44 -0.56 -0.05 0.00 0.03 0.00 0.00 54.97 54.83 2cu8 s GLU 53 Cb -0.10 -0.16 0.11 0.00 -0.80 0.00 0.00 34.13 33.18 2cu8 s GLU 53 CO 0.34 0.02 0.37 -1.58 -1.33 0.00 0.00 175.26 173.08 2cu8 s HIS 54 N -1.11 -0.73 -1.47 4.83 2.46 0.97 -4.89 115.29 115.35 2cu8 s HIS 54 Ca -0.09 1.08 -0.05 0.00 0.47 0.00 0.00 55.06 56.46 2cu8 s HIS 54 Cb -0.08 0.10 0.01 0.00 -0.13 0.00 0.00 32.58 32.47 2cu8 s HIS 54 CO -0.00 -0.58 0.71 -3.47 -2.47 0.00 0.00 174.74 168.93 2cu8 n ASP 55 N 5.37 -6.05 0.00 9.88 -0.08 -1.26 -1.52 116.55 122.88 2cu8 n ASP 55 Ca -0.06 -0.33 0.00 0.00 -1.51 0.00 0.00 54.79 52.89 2cu8 n ASP 55 Cb 0.50 -4.83 0.00 0.00 2.34 0.00 0.00 41.12 39.13 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cu8 n GLY 56 N -1.60 2.89 3.71 0.27 0.00 -1.26 -4.99 105.19 104.21 2cu8 n GLY 56 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.13 4.31 0.59 1.61 3.01 -0.58 -4.77 119.74 123.78 2cu8 s LYS 57 Ca 0.00 0.40 -0.18 0.00 -1.01 0.00 0.00 55.97 55.19 2cu8 s LYS 57 Cb 0.00 -3.46 -0.04 0.00 -1.01 0.00 0.00 37.83 33.33 2cu8 s LYS 57 CO 0.00 0.12 1.12 -1.25 0.51 0.00 0.00 175.35 175.85 2cu8 s PRO 58 N 0.77 3.15 -0.19 -1.68 0.04 -1.26 -0.02 135.00 135.81 2cu8 s PRO 58 Ca 0.25 1.53 -0.10 0.00 0.04 0.00 0.00 61.00 62.71 2cu8 s PRO 58 Cb -0.15 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.47 2cu8 s PRO 58 CO 0.10 -1.00 0.45 -0.06 0.04 0.00 0.00 177.00 176.53 2cu8 s PHE 59 N -1.98 -0.67 0.81 0.56 0.08 -0.47 -3.59 117.98 112.71 2cu8 s PHE 59 Ca 0.71 1.41 -0.16 0.00 0.12 0.00 0.00 56.93 59.01 2cu8 s PHE 59 Cb -0.23 0.32 -0.08 0.00 -0.57 0.00 0.00 43.02 42.47 2cu8 s PHE 59 CO 0.32 -0.37 -0.01 0.00 -0.10 0.00 0.00 175.22 175.07 2cu8 h HIS 61 N -0.71 0.29 0.00 0.00 3.86 -1.94 -1.16 115.15 115.49 2cu8 h HIS 61 Ca -0.44 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 2cu8 h HIS 61 Cb 1.34 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.80 2cu8 h HIS 61 CO 0.29 -0.11 0.00 0.36 0.86 0.00 0.00 177.93 179.33 2cu8 n LYS 62 N -5.17 0.00 0.20 2.45 2.85 -1.26 -3.38 118.16 113.85 2cu8 n LYS 62 Ca 0.16 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.56 2cu8 n LYS 62 Cb 0.51 0.00 0.59 0.00 -0.65 0.00 0.00 35.03 35.47 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 -1.10 -0.42 0.00 3.20 -1.30 -3.03 116.97 114.31 2cu8 h TYR 65 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2cu8 h TYR 65 Cb 0.00 0.45 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 2cu8 h TYR 65 CO -0.11 -0.53 -0.25 0.00 -1.64 0.00 0.00 178.16 175.64 2cu8 n ALA 66 N -2.75 -0.27 -0.07 1.82 0.00 -0.17 -1.09 120.51 117.97 2cu8 n ALA 66 Ca -0.09 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2cu8 n ALA 66 Cb 0.38 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2cu8 n ALA 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2cu8 n THR 67 N -3.95 0.00 -0.43 0.00 -1.04 0.14 0.71 114.28 109.70 2cu8 n THR 67 Ca 0.01 1.43 0.35 0.00 -2.04 0.00 0.00 64.05 63.81 2cu8 n THR 67 Cb 0.11 -1.92 0.64 0.00 -1.82 0.00 0.00 70.33 67.34 2cu8 n THR 67 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2cu8 h LEU 68 N 0.00 0.24 -7.29 -4.42 3.38 -1.29 -2.97 115.31 102.97 2cu8 h LEU 68 Ca 0.00 0.11 -0.63 0.00 0.09 0.00 0.00 57.88 57.44 2cu8 h LEU 68 Cb 0.00 0.09 -0.41 0.00 0.09 0.00 0.00 40.66 40.43 2cu8 h LEU 68 CO 0.00 -0.11 -0.62 -0.36 0.09 0.00 0.00 178.44 177.44 2cu8 s PHE 69 N -5.28 3.23 0.00 1.13 0.40 0.22 -5.06 117.98 112.62 2cu8 s PHE 69 Ca -0.07 -3.19 0.00 0.00 -0.60 0.00 0.00 56.93 53.07 2cu8 s PHE 69 Cb 0.28 -2.75 0.00 0.00 0.51 0.00 0.00 43.02 41.06 2cu8 s PHE 69 CO 0.82 -0.69 0.00 0.41 0.70 0.00 0.00 175.22 176.46 2cu8 n GLY 70 N 2.83 5.35 3.45 4.36 0.00 -0.97 -4.54 105.19 115.67 2cu8 n GLY 70 Ca 0.09 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 2cu8 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cu8 s SER 71 N 1.00 -0.06 0.00 1.61 0.01 -1.26 -5.12 113.70 109.88 2cu8 s SER 71 Ca 0.00 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2cu8 s SER 71 Cb 0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.74 2cu8 s SER 71 CO 0.00 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.26 2cu8 n GLY 72 N -0.30 0.71 3.71 3.44 0.00 -1.26 -5.12 105.19 106.38 2cu8 n GLY 72 Ca -0.06 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.00 1.06 0.27 1.61 0.04 -1.26 -4.92 135.00 129.81 2cu8 s PRO 73 Ca 0.00 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 61.78 2cu8 s PRO 73 Cb 0.00 -1.79 0.63 0.00 0.04 0.00 0.00 34.50 33.38 2cu8 s PRO 73 CO 0.00 -2.36 1.66 0.77 0.04 0.00 0.00 177.00 177.11 2cu8 h SER 74 N -1.63 0.02 -3.96 6.66 0.02 -2.06 -3.39 113.55 109.20 2cu8 h SER 74 Ca -0.51 0.18 -0.49 0.00 -0.84 0.00 0.00 61.79 60.13 2cu8 h SER 74 Cb 1.30 0.24 0.03 0.00 0.14 0.00 0.00 62.40 64.10 2cu8 h SER 74 CO 0.55 -0.11 0.43 -0.94 -1.14 0.00 0.00 176.83 175.63 2cu8 s SER 75 N -5.14 6.68 0.00 3.07 1.04 -1.26 -5.23 113.70 112.86 2cu8 s SER 75 Ca -0.12 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.42 2cu8 s SER 75 Cb 0.24 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2cu8 s SER 75 CO 0.77 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 175.05