#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 -0.59 -0.14 1.61 0.15 -1.26 -5.17 113.70 108.31 2cu8 s SER 2 Ca 0.00 0.72 -0.08 0.00 0.70 0.00 0.00 55.95 57.28 2cu8 s SER 2 Cb 0.00 0.63 0.05 0.00 -1.71 0.00 0.00 66.02 64.99 2cu8 s SER 2 CO 0.00 -0.52 0.33 -0.55 1.20 0.00 0.00 173.24 173.70 2cu8 s SER 3 N -0.96 -0.39 -0.90 5.45 0.15 -1.26 -5.06 113.70 110.74 2cu8 s SER 3 Ca -0.10 0.71 -0.02 0.00 0.70 0.00 0.00 55.95 57.24 2cu8 s SER 3 Cb -0.02 0.61 0.33 0.00 -1.71 0.00 0.00 66.02 65.24 2cu8 s SER 3 CO 0.08 -0.17 2.00 0.61 1.20 0.00 0.00 173.24 176.96 2cu8 n GLY 4 N 3.97 5.67 3.58 9.45 0.00 -1.26 -4.93 105.19 121.66 2cu8 n GLY 4 Ca -0.22 -2.49 -0.24 0.00 0.00 0.00 0.00 46.02 43.07 2cu8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cu8 s SER 5 N -1.10 4.59 -0.68 1.61 0.01 -1.26 -4.86 113.70 112.00 2cu8 s SER 5 Ca 0.48 -1.35 -0.33 0.00 1.31 0.00 0.00 55.95 56.06 2cu8 s SER 5 Cb 0.36 -2.59 -0.17 0.00 0.21 0.00 0.00 66.02 63.84 2cu8 s SER 5 CO -0.33 -3.52 2.44 -1.20 0.41 0.00 0.00 173.24 171.04 2cu8 n SER 6 N 15.87 1.10 -3.89 2.44 7.64 -1.26 -4.88 113.62 130.65 2cu8 n SER 6 Ca 0.44 0.20 -0.30 0.00 1.01 0.00 0.00 58.87 60.22 2cu8 n SER 6 Cb 0.47 -1.10 -0.15 0.00 -1.01 0.00 0.00 64.21 62.41 2cu8 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cu8 s GLY 7 N 8.65 1.46 -0.36 0.23 0.00 -1.26 -5.05 107.32 110.98 2cu8 s GLY 7 Ca 1.21 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2cu8 s GLY 7 CO 0.48 1.21 0.18 1.06 0.00 0.00 0.00 173.10 176.03 2cu8 s MET 8 N 1.29 0.80 0.35 2.90 1.00 -1.26 -5.11 119.30 119.26 2cu8 s MET 8 Ca 0.07 -1.39 0.01 0.00 0.00 0.00 0.00 55.69 54.39 2cu8 s MET 8 Cb -0.18 -1.82 -0.00 0.00 0.00 0.00 0.00 34.83 32.83 2cu8 s MET 8 CO -0.15 -1.11 0.42 0.00 0.00 0.00 0.00 175.02 174.19 2cu8 n ALA 9 N 4.24 0.02 -2.00 3.03 0.00 -1.26 -5.02 120.51 119.51 2cu8 n ALA 9 Ca 0.05 -1.75 -0.27 0.00 0.00 0.00 0.00 53.44 51.47 2cu8 n ALA 9 Cb 0.38 1.41 0.04 0.00 0.00 0.00 0.00 19.45 21.28 2cu8 n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2cu8 s SER 10 N -3.24 5.35 0.47 0.00 0.01 -1.26 -4.86 113.70 110.16 2cu8 s SER 10 Ca 0.33 0.75 0.05 0.00 1.31 0.00 0.00 55.95 58.39 2cu8 s SER 10 Cb 0.00 -1.61 0.02 0.00 0.21 0.00 0.00 66.02 64.64 2cu8 s SER 10 CO 0.23 -1.27 0.64 -0.54 0.41 0.00 0.00 173.24 172.72 2cu8 s LYS 11 N -5.14 2.74 -0.20 12.44 1.02 -1.26 -0.76 119.74 128.58 2cu8 s LYS 11 Ca 0.56 -1.04 -0.06 0.00 0.02 0.00 0.00 55.97 55.46 2cu8 s LYS 11 Cb -0.11 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 2cu8 s LYS 11 CO 0.47 -0.42 0.02 0.00 -0.92 0.00 0.00 175.35 174.50 2cu8 n PRO 13 N 4.07 0.49 -0.04 0.00 -0.04 -1.26 0.82 135.00 139.04 2cu8 n PRO 13 Ca -0.17 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 2cu8 n PRO 13 Cb 0.52 -1.16 -0.03 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.31 -0.32 0.54 3.00 -1.26 -4.76 118.16 115.01 2cu8 n LYS 14 Ca 0.04 0.12 0.09 0.00 -0.00 0.00 0.00 58.31 58.56 2cu8 n LYS 14 Cb 0.02 -1.03 0.22 0.00 0.00 0.00 0.00 35.03 34.24 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 -0.83 0.40 -4.53 0.00 2.03 0.24 -4.89 116.55 108.97 2cu8 n ASP 16 Ca 0.20 -1.01 -0.25 0.00 0.52 0.00 0.00 54.79 54.24 2cu8 n ASP 16 Cb 0.81 -1.25 -0.10 0.00 -0.72 0.00 0.00 41.12 39.86 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 -6.50 1.89 -0.93 -0.67 1.02 -1.24 -4.72 119.74 108.58 2cu8 s LYS 17 Ca 0.04 -1.48 -0.24 0.00 0.02 0.00 0.00 55.97 54.31 2cu8 s LYS 17 Cb -0.02 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 2cu8 s LYS 17 CO 0.79 0.39 1.67 0.99 -0.92 0.00 0.00 175.35 178.26 2cu8 s THR 18 N -2.02 3.68 0.34 2.17 2.01 -1.26 0.01 115.64 120.58 2cu8 s THR 18 Ca 0.26 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.50 2cu8 s THR 18 Cb -0.07 -4.56 -0.11 0.00 0.01 0.00 0.00 72.50 67.77 2cu8 s THR 18 CO 0.15 -1.47 1.52 -0.69 -0.69 0.00 0.00 174.62 173.43 2cu8 s VAL 19 N 7.35 2.09 0.15 3.82 1.01 0.06 -4.95 120.40 129.94 2cu8 s VAL 19 Ca 0.56 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.44 2cu8 s VAL 19 Cb -0.04 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.21 2cu8 s VAL 19 CO -0.03 0.02 0.64 -0.31 0.00 0.00 0.00 175.10 175.42 2cu8 s TYR 20 N -0.71 3.72 0.56 5.22 1.51 -1.26 -4.14 117.35 122.26 2cu8 s TYR 20 Ca 0.56 1.31 0.25 0.00 -1.01 0.00 0.00 57.07 58.18 2cu8 s TYR 20 Cb -0.47 -2.54 1.62 0.00 -0.11 0.00 0.00 41.96 40.47 2cu8 s TYR 20 CO 0.57 0.46 2.22 0.35 -1.11 0.00 0.00 175.55 178.03 2cu8 h PHE 21 N 3.89 0.00 0.00 2.71 3.04 -1.95 0.59 116.94 125.22 2cu8 h PHE 21 Ca -0.48 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.47 2cu8 h PHE 21 Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2cu8 h PHE 21 CO 0.65 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.95 2cu8 h ALA 22 N 2.00 1.00 0.00 2.41 0.00 -2.03 -3.11 119.26 119.53 2cu8 h ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2cu8 h ALA 22 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cu8 h ALA 22 CO 0.00 0.00 -0.09 0.39 0.00 0.00 0.00 179.25 179.55 2cu8 n GLU 23 N -2.61 1.18 -2.17 0.00 1.02 0.18 -5.07 120.64 113.16 2cu8 n GLU 23 Ca 0.02 -1.28 -0.40 0.00 -0.02 0.00 0.00 57.16 55.48 2cu8 n GLU 23 Cb 0.31 -0.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.88 2cu8 n GLU 23 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2cu8 s LYS 24 N -0.83 4.24 -0.05 3.49 1.02 0.18 -4.41 119.74 123.38 2cu8 s LYS 24 Ca 0.06 2.09 -0.02 0.00 0.02 0.00 0.00 55.97 58.11 2cu8 s LYS 24 Cb 0.05 -2.94 0.04 0.00 -0.52 0.00 0.00 37.83 34.46 2cu8 s LYS 24 CO 0.01 -0.24 0.09 0.54 -0.92 0.00 0.00 175.35 174.83 2cu8 s VAL 25 N -1.22 -0.15 0.27 3.17 0.11 -1.24 -5.02 120.40 116.32 2cu8 s VAL 25 Ca 0.52 0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 59.67 2cu8 s VAL 25 Cb -0.37 -0.19 -0.09 0.00 -1.53 0.00 0.00 36.38 34.19 2cu8 s VAL 25 CO 0.48 0.16 1.09 -0.94 -3.33 0.00 0.00 175.10 172.56 2cu8 s SER 26 N 2.15 7.30 -0.30 3.54 1.04 -1.26 -2.28 113.70 123.89 2cu8 s SER 26 Ca 0.04 2.23 -0.09 0.00 0.48 0.00 0.00 55.95 58.61 2cu8 s SER 26 Cb -0.12 -2.62 0.17 0.00 0.10 0.00 0.00 66.02 63.55 2cu8 s SER 26 CO -0.04 -0.12 0.84 -0.55 0.98 0.00 0.00 173.24 174.35 2cu8 s SER 27 N -0.85 -0.87 -1.67 7.02 0.15 -0.48 -4.37 113.70 112.63 2cu8 s SER 27 Ca 0.44 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2cu8 s SER 27 Cb -0.31 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.80 2cu8 s SER 27 CO 0.40 -0.16 0.00 0.18 1.20 0.00 0.00 173.24 174.85 2cu8 n LEU 28 N 5.36 -1.88 -1.42 3.45 4.32 -1.26 -2.17 117.00 123.40 2cu8 n LEU 28 Ca -0.06 -0.01 -0.08 0.00 -0.02 0.00 0.00 56.01 55.85 2cu8 n LEU 28 Cb 0.52 -2.77 0.02 0.00 -1.62 0.00 0.00 43.42 39.57 2cu8 n LEU 28 CO -0.04 -0.22 0.06 0.61 -1.22 0.00 0.00 177.39 176.58 2cu8 n GLY 29 N -1.01 0.41 3.45 -0.72 0.00 -1.26 -5.04 105.19 101.02 2cu8 n GLY 29 Ca -0.23 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2cu8 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cu8 s LYS 30 N -5.28 1.30 -0.30 1.61 2.47 -0.92 -5.14 119.74 113.47 2cu8 s LYS 30 Ca 0.17 -1.00 -0.08 0.00 -1.56 0.00 0.00 55.97 53.50 2cu8 s LYS 30 Cb -0.07 0.46 0.00 0.00 -1.46 0.00 0.00 37.83 36.76 2cu8 s LYS 30 CO 0.21 -0.52 0.10 -0.51 0.16 0.00 0.00 175.35 174.78 2cu8 s ASP 31 N -2.92 5.24 0.45 1.43 1.01 -1.26 -1.38 116.67 119.24 2cu8 s ASP 31 Ca 0.13 -0.63 0.02 0.00 0.71 0.00 0.00 52.55 52.78 2cu8 s ASP 31 Cb 0.01 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 42.04 2cu8 s ASP 31 CO -0.01 -0.18 0.15 0.79 0.21 0.00 0.00 175.17 176.12 2cu8 n TRP 32 N 4.90 0.26 -3.98 4.23 7.02 -0.96 -4.13 117.44 124.78 2cu8 n TRP 32 Ca -0.14 -2.06 -0.30 0.00 -1.02 0.00 0.00 57.50 53.98 2cu8 n TRP 32 Cb 0.48 -0.32 -0.05 0.00 -2.42 0.00 0.00 31.31 29.00 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 -2.45 3.38 -1.16 -5.99 3.76 -1.26 -3.61 115.29 107.96 2cu8 s HIS 33 Ca 0.11 0.17 0.07 0.00 -0.15 0.00 0.00 55.06 55.26 2cu8 s HIS 33 Cb -0.01 -1.69 0.34 0.00 1.11 0.00 0.00 32.58 32.33 2cu8 s HIS 33 CO 0.07 0.56 1.19 1.63 -0.85 0.00 0.00 174.74 177.33 2cu8 n LYS 34 N 0.27 0.04 -0.02 1.40 4.01 -1.26 -1.52 118.16 121.08 2cu8 n LYS 34 Ca -0.07 0.31 0.01 0.00 -0.51 0.00 0.00 58.31 58.05 2cu8 n LYS 34 Cb 0.52 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.47 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 -1.42 0.00 0.08 2.13 3.01 -1.26 -4.59 117.46 115.41 2cu8 n PHE 35 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.38 2cu8 n PHE 35 Cb 0.08 -0.27 -0.11 0.00 -0.01 0.00 0.00 39.48 39.17 2cu8 n PHE 35 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cu8 n LEU 37 N -3.46 2.00 -3.83 0.00 7.94 -0.58 -4.79 117.00 114.28 2cu8 n LEU 37 Ca -0.03 -2.36 -0.12 0.00 -1.11 0.00 0.00 56.01 52.39 2cu8 n LEU 37 Cb 0.94 -1.23 -0.10 0.00 0.53 0.00 0.00 43.42 43.56 2cu8 n LEU 37 CO 0.49 -2.24 -0.13 -0.54 -1.11 0.00 0.00 177.39 173.86 2cu8 s LYS 38 N 7.07 0.43 -0.35 1.96 -0.14 -1.26 -4.13 119.74 123.32 2cu8 s LYS 38 Ca 0.71 -0.16 -0.29 0.00 -1.36 0.00 0.00 55.97 54.87 2cu8 s LYS 38 Cb 0.06 0.19 0.02 0.00 -1.68 0.00 0.00 37.83 36.41 2cu8 s LYS 38 CO 0.22 -0.10 1.13 0.00 -0.76 0.00 0.00 175.35 175.85 2cu8 n GLU 40 N 7.19 0.63 -0.11 0.00 4.07 -1.25 0.98 120.64 132.14 2cu8 n GLU 40 Ca 0.13 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.02 2cu8 n GLU 40 Cb 0.47 -1.39 -0.09 0.00 -0.06 0.00 0.00 31.44 30.38 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 -0.89 0.55 -0.06 5.31 3.00 -1.26 -4.61 116.66 118.70 2cu8 n ARG 41 Ca 0.12 0.46 0.07 0.00 -0.00 0.00 0.00 57.85 58.50 2cu8 n ARG 41 Cb 0.05 -1.65 0.10 0.00 0.00 0.00 0.00 32.46 30.96 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 -1.15 -0.55 -4.93 0.00 2.88 0.28 -4.90 113.62 105.23 2cu8 n SER 43 Ca 0.11 -1.19 -0.19 0.00 -1.33 0.00 0.00 58.87 56.27 2cu8 n SER 43 Cb 0.54 -1.50 -0.01 0.00 -0.75 0.00 0.00 64.21 62.48 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 -6.99 2.75 -0.25 -1.46 2.20 -1.23 -4.86 119.74 109.91 2cu8 s LYS 44 Ca 0.44 -1.32 -0.21 0.00 -0.36 0.00 0.00 55.97 54.52 2cu8 s LYS 44 Cb -0.26 -2.59 -0.01 0.00 -1.51 0.00 0.00 37.83 33.46 2cu8 s LYS 44 CO 0.96 -0.13 0.68 0.99 -0.36 0.00 0.00 175.35 177.49 2cu8 s THR 45 N -2.36 4.94 0.56 3.43 2.01 -1.26 -2.37 115.64 120.59 2cu8 s THR 45 Ca 0.49 1.23 0.04 0.00 0.31 0.00 0.00 61.69 63.76 2cu8 s THR 45 Cb -0.07 -3.99 0.06 0.00 0.01 0.00 0.00 72.50 68.51 2cu8 s THR 45 CO 0.30 -0.01 0.77 -0.76 -0.69 0.00 0.00 174.62 174.23 2cu8 s LEU 46 N 2.60 3.28 -0.13 4.42 1.43 -1.26 -5.00 118.68 124.02 2cu8 s LEU 46 Ca 0.28 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2cu8 s LEU 46 Cb -0.15 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 2cu8 s LEU 46 CO 0.08 -1.23 -0.13 -0.89 0.23 0.00 0.00 176.35 174.41 2cu8 s THR 47 N -2.72 3.04 -0.95 5.49 2.01 -1.26 -5.00 115.64 116.26 2cu8 s THR 47 Ca 0.59 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.69 2cu8 s THR 47 Cb -0.08 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 2cu8 s THR 47 CO 0.38 0.53 1.94 -2.16 -0.69 0.00 0.00 174.62 174.62 2cu8 s PRO 48 N 0.32 2.55 0.00 4.92 0.04 -1.26 -3.30 135.00 138.26 2cu8 s PRO 48 Ca -0.10 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.51 2cu8 s PRO 48 Cb -0.16 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.29 2cu8 s PRO 48 CO 0.06 -3.47 0.00 0.41 0.04 0.00 0.00 177.00 174.04 2cu8 n GLY 49 N 6.69 0.54 0.00 0.56 0.00 -1.26 -4.79 105.19 106.93 2cu8 n GLY 49 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.33 3.39 -0.02 0.00 -1.21 -5.05 105.19 100.98 2cu8 n GLY 50 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 0.17 0.27 1.61 -0.00 -1.26 -4.77 115.29 111.31 2cu8 s HIS 51 Ca 0.00 -0.53 -0.04 0.00 -0.00 0.00 0.00 55.06 54.49 2cu8 s HIS 51 Cb 0.00 0.12 -0.05 0.00 -0.00 0.00 0.00 32.58 32.65 2cu8 s HIS 51 CO 0.00 -0.78 0.52 0.00 -0.00 0.00 0.00 174.74 174.48 2cu8 s ALA 52 N -3.92 3.66 0.04 -1.38 0.00 -0.98 -4.98 121.76 114.20 2cu8 s ALA 52 Ca 0.13 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.53 2cu8 s ALA 52 Cb 0.02 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 2cu8 s ALA 52 CO -0.02 0.30 -0.09 -1.83 0.00 0.00 0.00 175.76 174.11 2cu8 s GLU 53 N -3.46 0.60 -0.17 0.00 4.04 -1.26 -0.42 118.70 118.03 2cu8 s GLU 53 Ca 0.43 -0.74 -0.06 0.00 0.04 0.00 0.00 54.97 54.64 2cu8 s GLU 53 Cb -0.11 -0.44 0.08 0.00 0.02 0.00 0.00 34.13 33.68 2cu8 s GLU 53 CO 0.29 0.09 0.35 -1.58 -1.84 0.00 0.00 175.26 172.57 2cu8 s HIS 54 N -1.20 -0.62 -1.78 4.83 2.46 0.58 -4.88 115.29 114.69 2cu8 s HIS 54 Ca -0.07 1.27 0.00 0.00 0.47 0.00 0.00 55.06 56.73 2cu8 s HIS 54 Cb -0.09 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.51 2cu8 s HIS 54 CO 0.01 -0.42 0.00 -3.47 -2.47 0.00 0.00 174.74 168.39 2cu8 n ASP 55 N 5.29 -5.79 0.00 9.88 2.03 -1.26 -1.22 116.55 125.49 2cu8 n ASP 55 Ca -0.09 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2cu8 n ASP 55 Cb 0.50 -4.82 0.00 0.00 -0.72 0.00 0.00 41.12 36.08 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 -0.98 3.16 3.74 0.27 0.00 -1.26 -5.01 105.19 105.11 2cu8 n GLY 56 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.37 4.31 0.62 1.61 3.01 -0.35 -4.84 119.74 123.73 2cu8 s LYS 57 Ca 0.00 0.60 -0.16 0.00 -1.01 0.00 0.00 55.97 55.40 2cu8 s LYS 57 Cb 0.00 -3.39 -0.02 0.00 -1.01 0.00 0.00 37.83 33.41 2cu8 s LYS 57 CO 0.00 0.26 1.12 -1.25 0.51 0.00 0.00 175.35 175.98 2cu8 s PRO 58 N 0.25 2.97 -0.28 -1.68 0.04 -1.26 -0.31 135.00 134.73 2cu8 s PRO 58 Ca 0.29 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.59 2cu8 s PRO 58 Cb -0.17 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.50 2cu8 s PRO 58 CO 0.14 -1.12 0.79 -0.06 0.04 0.00 0.00 177.00 176.79 2cu8 s PHE 59 N -2.16 -0.81 1.05 0.56 0.08 0.44 -3.95 117.98 113.19 2cu8 s PHE 59 Ca 0.69 1.77 -0.17 0.00 0.12 0.00 0.00 56.93 59.34 2cu8 s PHE 59 Cb -0.22 0.43 0.04 0.00 -0.57 0.00 0.00 43.02 42.71 2cu8 s PHE 59 CO 0.37 -0.40 -0.04 0.00 -0.10 0.00 0.00 175.22 175.05 2cu8 h HIS 61 N -1.76 -0.02 0.00 0.00 3.86 -1.94 -2.47 115.15 112.83 2cu8 h HIS 61 Ca -0.49 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2cu8 h HIS 61 Cb 1.33 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.84 2cu8 h HIS 61 CO 0.22 -0.03 0.00 0.36 0.86 0.00 0.00 177.93 179.34 2cu8 n LYS 62 N -5.14 0.00 0.11 2.45 -0.00 -1.26 -3.53 118.16 110.79 2cu8 n LYS 62 Ca -0.03 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.39 2cu8 n LYS 62 Cb 0.10 0.00 0.47 0.00 -0.00 0.00 0.00 35.03 35.60 2cu8 n LYS 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2cu8 n PRO 63 N -0.04 0.17 0.00 -1.58 -0.04 -1.26 -4.86 135.00 127.39 2cu8 n PRO 63 Ca 0.00 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2cu8 n PRO 63 Cb 0.00 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 2cu8 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cu8 h TYR 65 N 0.00 0.27 -0.40 0.00 3.20 -1.53 -3.10 116.97 115.41 2cu8 h TYR 65 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2cu8 h TYR 65 Cb 0.00 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 2cu8 h TYR 65 CO -0.14 0.13 -0.28 0.00 -1.64 0.00 0.00 178.16 176.23 2cu8 h ALA 66 N 1.19 -0.35 -1.64 1.82 0.00 -0.69 0.80 119.26 120.39 2cu8 h ALA 66 Ca 0.14 0.04 0.47 0.00 0.00 0.00 0.00 54.91 55.57 2cu8 h ALA 66 Cb 0.08 1.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2cu8 h ALA 66 CO -0.12 -0.53 1.30 0.00 0.00 0.00 0.00 179.25 179.90 2cu8 h THR 67 N -0.06 0.05 0.23 0.00 1.03 -0.22 1.49 112.91 115.44 2cu8 h THR 67 Ca 0.07 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.13 2cu8 h THR 67 Cb 0.23 0.06 0.03 0.00 -1.07 0.00 0.00 68.15 67.39 2cu8 h THR 67 CO -0.41 0.00 -1.52 -0.07 -0.01 0.00 0.00 175.52 173.52 2cu8 h LEU 68 N 0.00 0.77 -7.22 0.00 3.38 0.51 -3.40 115.31 109.36 2cu8 h LEU 68 Ca 0.78 -0.87 -0.67 0.00 0.09 0.00 0.00 57.88 57.20 2cu8 h LEU 68 Cb 3.38 -0.25 -0.38 0.00 0.09 0.00 0.00 40.66 43.50 2cu8 h LEU 68 CO -0.01 1.69 -0.28 -0.36 0.09 0.00 0.00 178.44 179.57 2cu8 s PHE 69 N -2.60 3.78 0.00 1.13 0.40 0.51 -4.94 117.98 116.26 2cu8 s PHE 69 Ca -0.10 -3.16 0.00 0.00 -0.60 0.00 0.00 56.93 53.07 2cu8 s PHE 69 Cb 0.05 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.55 2cu8 s PHE 69 CO 0.93 -0.66 0.00 0.41 0.70 0.00 0.00 175.22 176.60 2cu8 n GLY 70 N 2.17 2.34 2.77 4.36 0.00 -1.14 -4.75 105.19 110.94 2cu8 n GLY 70 Ca 0.21 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 3.83 0.00 1.61 0.01 -1.26 -4.70 113.70 113.18 2cu8 s SER 71 Ca 0.00 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.81 2cu8 s SER 71 Cb 0.00 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.34 2cu8 s SER 71 CO 0.00 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2cu8 n GLY 72 N 4.83 0.58 0.21 3.44 0.00 -1.26 -5.00 105.19 107.99 2cu8 n GLY 72 Ca -0.04 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 2cu8 n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cu8 h PRO 73 N 0.00 0.38 -2.47 1.61 0.13 -1.98 -3.42 132.00 126.25 2cu8 h PRO 73 Ca 0.00 -0.20 -0.08 0.00 -0.87 0.00 0.00 66.00 64.85 2cu8 h PRO 73 Cb 0.00 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 30.90 2cu8 h PRO 73 CO 0.00 0.75 -0.16 -1.54 -0.23 0.00 0.00 178.00 176.83 2cu8 s SER 74 N -6.87 -0.60 -1.25 1.44 1.04 -1.26 -4.92 113.70 101.28 2cu8 s SER 74 Ca -0.06 1.06 -0.07 0.00 0.48 0.00 0.00 55.95 57.37 2cu8 s SER 74 Cb 0.13 1.01 0.01 0.00 0.10 0.00 0.00 66.02 67.26 2cu8 s SER 74 CO 0.80 -0.19 1.09 -1.20 0.98 0.00 0.00 173.24 174.71 2cu8 n SER 75 N 3.56 -5.29 0.00 7.02 7.64 -1.26 -5.25 113.62 120.03 2cu8 n SER 75 Ca -0.18 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.17 2cu8 n SER 75 Cb 0.56 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 2cu8 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64