#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu8 n SER 2 N 0.00 5.00 -4.64 1.61 2.88 -1.26 -5.04 113.62 112.18 2cu8 n SER 2 Ca 0.00 -3.75 -0.43 0.00 -1.33 0.00 0.00 58.87 53.37 2cu8 n SER 2 Cb 0.00 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.04 2cu8 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cu8 s SER 3 N -3.50 6.38 -0.45 -3.46 0.01 -1.26 -4.88 113.70 106.54 2cu8 s SER 3 Ca 0.51 1.85 0.03 0.00 1.31 0.00 0.00 55.95 59.64 2cu8 s SER 3 Cb 0.41 -2.53 0.23 0.00 0.21 0.00 0.00 66.02 64.34 2cu8 s SER 3 CO -0.02 -1.22 0.95 0.61 0.41 0.00 0.00 173.24 173.97 2cu8 n GLY 4 N 4.61 -0.70 3.28 3.44 0.00 -1.26 -5.16 105.19 109.41 2cu8 n GLY 4 Ca 0.19 0.54 -0.09 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.47 0.08 0.27 1.61 1.04 -1.26 -5.18 113.70 109.80 2cu8 s SER 5 Ca 0.29 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.93 2cu8 s SER 5 Cb 0.16 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 2cu8 s SER 5 CO -0.15 -0.83 0.21 -0.55 0.98 0.00 0.00 173.24 172.90 2cu8 s SER 6 N -2.94 0.99 -0.04 7.02 0.15 -1.26 -5.13 113.70 112.49 2cu8 s SER 6 Ca 0.14 -1.59 -0.30 0.00 0.70 0.00 0.00 55.95 54.90 2cu8 s SER 6 Cb 0.04 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.80 2cu8 s SER 6 CO -0.03 -0.96 1.03 -0.83 1.20 0.00 0.00 173.24 173.65 2cu8 s GLY 7 N -3.28 2.56 -0.24 9.45 0.00 -1.26 -5.03 107.32 109.53 2cu8 s GLY 7 Ca 0.40 0.51 -0.04 0.00 0.00 0.00 0.00 44.72 45.59 2cu8 s GLY 7 CO 0.20 1.87 -0.02 1.06 0.00 0.00 0.00 173.10 176.21 2cu8 s MET 8 N 1.53 3.23 0.26 2.90 1.00 -1.26 -5.08 119.30 121.88 2cu8 s MET 8 Ca 0.52 -0.73 -0.03 0.00 0.00 0.00 0.00 55.69 55.44 2cu8 s MET 8 Cb -0.21 -3.09 0.01 0.00 0.00 0.00 0.00 34.83 31.55 2cu8 s MET 8 CO 0.24 -0.28 0.40 0.00 0.00 0.00 0.00 175.02 175.37 2cu8 n ALA 9 N 4.79 -0.44 -2.16 3.03 0.00 -1.26 -5.14 120.51 119.33 2cu8 n ALA 9 Ca -0.17 -1.14 -0.41 0.00 0.00 0.00 0.00 53.44 51.72 2cu8 n ALA 9 Cb 0.50 0.92 -0.04 0.00 0.00 0.00 0.00 19.45 20.82 2cu8 n ALA 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2cu8 s SER 10 N -2.57 7.25 0.76 0.00 1.04 -1.26 -4.85 113.70 114.07 2cu8 s SER 10 Ca 0.19 2.05 -0.03 0.00 0.48 0.00 0.00 55.95 58.64 2cu8 s SER 10 Cb -0.01 -2.60 0.14 0.00 0.10 0.00 0.00 66.02 63.65 2cu8 s SER 10 CO 0.14 -0.26 1.05 -0.54 0.98 0.00 0.00 173.24 174.62 2cu8 s LYS 11 N -0.06 1.49 -0.17 4.02 3.01 -1.26 0.04 119.74 126.81 2cu8 s LYS 11 Ca 0.51 -1.00 -0.01 0.00 -1.01 0.00 0.00 55.97 54.45 2cu8 s LYS 11 Cb -0.29 -2.25 -0.01 0.00 -1.01 0.00 0.00 37.83 34.28 2cu8 s LYS 11 CO 0.33 -1.62 -0.11 0.00 0.51 0.00 0.00 175.35 174.47 2cu8 n PRO 13 N 4.13 0.49 -0.08 0.00 -0.04 -1.26 0.13 135.00 138.37 2cu8 n PRO 13 Ca -0.19 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.12 2cu8 n PRO 13 Cb 0.52 -1.20 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.70 0.41 -0.14 0.54 3.00 -1.26 -4.73 118.16 115.28 2cu8 n LYS 14 Ca 0.05 0.17 0.06 0.00 -0.00 0.00 0.00 58.31 58.59 2cu8 n LYS 14 Cb 0.02 -1.19 0.12 0.00 0.00 0.00 0.00 35.03 33.98 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 -0.68 0.76 -4.52 0.00 2.03 0.35 -4.91 116.55 109.59 2cu8 n ASP 16 Ca 0.12 -1.28 -0.30 0.00 0.52 0.00 0.00 54.79 53.85 2cu8 n ASP 16 Cb 0.54 -1.60 -0.11 0.00 -0.72 0.00 0.00 41.12 39.23 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 -7.37 1.94 -0.95 -0.67 -0.14 -1.24 -4.74 119.74 106.57 2cu8 s LYS 17 Ca 0.06 -1.10 -0.24 0.00 -1.36 0.00 0.00 55.97 53.32 2cu8 s LYS 17 Cb -0.03 -2.19 -0.07 0.00 -1.68 0.00 0.00 37.83 33.85 2cu8 s LYS 17 CO 1.00 0.50 2.01 0.99 -0.76 0.00 0.00 175.35 179.09 2cu8 s THR 18 N -1.14 3.40 0.38 2.17 2.01 -1.26 -0.41 115.64 120.79 2cu8 s THR 18 Ca 0.19 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.49 2cu8 s THR 18 Cb -0.11 -4.00 -0.11 0.00 0.01 0.00 0.00 72.50 68.29 2cu8 s THR 18 CO 0.11 -0.81 1.29 0.52 -0.69 0.00 0.00 174.62 175.04 2cu8 n VAL 19 N 8.02 2.26 -4.41 3.82 0.31 0.11 -4.94 118.33 123.50 2cu8 n VAL 19 Ca 0.42 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 64.00 2cu8 n VAL 19 Cb 0.46 -1.59 -0.10 0.00 -0.91 0.00 0.00 33.84 31.70 2cu8 n VAL 19 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2cu8 s TYR 20 N -1.15 2.40 0.55 3.52 2.02 -1.26 -4.20 117.35 119.22 2cu8 s TYR 20 Ca 0.58 -0.31 0.44 0.00 -0.37 0.00 0.00 57.07 57.41 2cu8 s TYR 20 Cb -0.53 -1.10 1.65 0.00 -0.40 0.00 0.00 41.96 41.57 2cu8 s TYR 20 CO 0.60 0.61 1.67 0.35 -1.57 0.00 0.00 175.55 177.21 2cu8 h PHE 21 N 2.58 0.03 -0.35 2.71 3.57 -1.95 0.73 116.94 124.27 2cu8 h PHE 21 Ca -0.43 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.14 2cu8 h PHE 21 Cb 1.24 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.88 2cu8 h PHE 21 CO 0.74 -0.01 -0.35 0.00 -2.23 0.00 0.00 178.31 176.46 2cu8 h ALA 22 N 1.20 -0.27 0.00 2.41 0.00 -2.01 -3.02 119.26 117.57 2cu8 h ALA 22 Ca 0.79 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.78 2cu8 h ALA 22 Cb 3.13 0.73 0.00 0.00 0.00 0.00 0.00 17.79 21.64 2cu8 h ALA 22 CO -0.03 -0.77 -0.02 0.39 0.00 0.00 0.00 179.25 178.82 2cu8 n GLU 23 N -5.42 1.48 -1.86 0.00 1.02 0.15 -4.99 120.64 111.02 2cu8 n GLU 23 Ca -0.00 -2.31 -0.33 0.00 -0.02 0.00 0.00 57.16 54.50 2cu8 n GLU 23 Cb 0.34 -1.36 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.40 2.35 -0.28 3.49 2.20 0.23 -4.12 119.74 121.21 2cu8 s LYS 24 Ca 0.25 0.66 -0.04 0.00 -0.36 0.00 0.00 55.97 56.48 2cu8 s LYS 24 Cb 0.22 -4.60 0.02 0.00 -1.51 0.00 0.00 37.83 31.96 2cu8 s LYS 24 CO 0.02 -3.19 0.02 0.54 -0.36 0.00 0.00 175.35 172.38 2cu8 s VAL 25 N 10.76 3.41 -0.61 4.02 0.11 -1.16 -4.91 120.40 132.02 2cu8 s VAL 25 Ca 0.79 -0.93 -0.27 0.00 -2.93 0.00 0.00 61.98 58.63 2cu8 s VAL 25 Cb -0.13 -2.78 -0.00 0.00 -1.53 0.00 0.00 36.38 31.94 2cu8 s VAL 25 CO 0.17 0.09 1.66 -0.94 -3.33 0.00 0.00 175.10 172.75 2cu8 s SER 26 N 1.39 5.63 -0.23 3.54 1.04 -1.26 -2.06 113.70 121.76 2cu8 s SER 26 Ca 0.00 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.68 2cu8 s SER 26 Cb -0.17 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.46 2cu8 s SER 26 CO -0.01 -2.12 -0.12 -0.55 0.98 0.00 0.00 173.24 171.43 2cu8 s SER 27 N 6.47 3.87 -1.55 7.02 0.15 0.12 -4.46 113.70 125.31 2cu8 s SER 27 Ca 0.59 -1.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.08 2cu8 s SER 27 Cb -0.12 -1.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.78 2cu8 s SER 27 CO 0.21 -0.15 0.66 0.18 1.20 0.00 0.00 173.24 175.34 2cu8 n LEU 28 N 4.56 -2.77 0.00 3.45 4.32 -1.26 -1.37 117.00 123.93 2cu8 n LEU 28 Ca -0.15 -0.31 0.00 0.00 -0.02 0.00 0.00 56.01 55.53 2cu8 n LEU 28 Cb 0.45 -3.00 0.00 0.00 -1.62 0.00 0.00 43.42 39.25 2cu8 n LEU 28 CO 0.21 0.27 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 2cu8 n GLY 29 N -1.58 2.93 3.88 -0.72 0.00 -1.26 -4.99 105.19 103.45 2cu8 n GLY 29 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.13 3.61 -0.31 1.61 3.01 -0.47 -5.04 119.74 122.02 2cu8 s LYS 30 Ca 0.00 -0.02 -0.17 0.00 -1.01 0.00 0.00 55.97 54.76 2cu8 s LYS 30 Cb 0.00 -3.08 -0.02 0.00 -1.01 0.00 0.00 37.83 33.72 2cu8 s LYS 30 CO 0.00 0.64 0.47 -0.51 0.51 0.00 0.00 175.35 176.46 2cu8 s ASP 31 N -1.66 6.32 0.24 2.83 1.11 -1.26 0.12 116.67 124.37 2cu8 s ASP 31 Ca 0.28 0.16 0.01 0.00 0.18 0.00 0.00 52.55 53.17 2cu8 s ASP 31 Cb -0.13 -2.25 0.01 0.00 1.07 0.00 0.00 42.92 41.61 2cu8 s ASP 31 CO 0.16 -0.35 0.05 0.79 1.18 0.00 0.00 175.17 176.99 2cu8 n TRP 32 N 5.57 0.10 -4.36 4.23 7.02 -0.87 -4.01 117.44 125.12 2cu8 n TRP 32 Ca -0.06 -1.14 -0.35 0.00 -1.02 0.00 0.00 57.50 54.94 2cu8 n TRP 32 Cb 0.50 -0.17 -0.10 0.00 -2.42 0.00 0.00 31.31 29.11 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 -1.68 3.12 0.34 -5.99 3.76 -1.26 -2.97 115.29 110.61 2cu8 s HIS 33 Ca 0.04 0.06 0.16 0.00 -0.15 0.00 0.00 55.06 55.16 2cu8 s HIS 33 Cb -0.00 -1.85 0.85 0.00 1.11 0.00 0.00 32.58 32.69 2cu8 s HIS 33 CO 0.02 0.31 1.41 0.87 -0.85 0.00 0.00 174.74 176.51 2cu8 h LYS 34 N 5.67 0.00 0.00 1.40 1.57 -1.97 1.01 116.57 124.25 2cu8 h LYS 34 Ca -0.45 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 2cu8 h LYS 34 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 2cu8 h LYS 34 CO 0.58 0.00 -2.00 1.19 -0.57 0.00 0.00 179.45 178.65 2cu8 n PHE 35 N -2.35 0.00 0.11 -1.35 3.01 -1.26 -4.46 117.46 111.17 2cu8 n PHE 35 Ca -0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 2cu8 n PHE 35 Cb 0.47 -0.59 -0.14 0.00 -0.01 0.00 0.00 39.48 39.21 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 -3.74 0.58 -3.62 0.00 7.94 -0.03 -4.77 117.00 113.35 2cu8 n LEU 37 Ca -0.14 -2.02 -0.12 0.00 -1.11 0.00 0.00 56.01 52.62 2cu8 n LEU 37 Cb 1.03 -1.43 -0.11 0.00 0.53 0.00 0.00 43.42 43.44 2cu8 n LEU 37 CO 0.59 -3.00 -0.08 -0.54 -1.11 0.00 0.00 177.39 173.25 2cu8 s LYS 38 N 7.83 0.23 0.47 1.96 -0.14 -1.26 -3.76 119.74 125.06 2cu8 s LYS 38 Ca 0.70 0.78 -0.14 0.00 -1.36 0.00 0.00 55.97 55.95 2cu8 s LYS 38 Cb -0.09 -0.04 -0.12 0.00 -1.68 0.00 0.00 37.83 35.89 2cu8 s LYS 38 CO 0.15 -0.34 -0.21 0.00 -0.76 0.00 0.00 175.35 174.20 2cu8 n GLU 40 N 1.34 0.37 -0.10 0.00 4.07 -1.07 -3.05 120.64 122.19 2cu8 n GLU 40 Ca 0.05 -0.10 -0.14 0.00 -0.06 0.00 0.00 57.16 56.90 2cu8 n GLU 40 Cb 0.38 -1.52 -0.05 0.00 -0.06 0.00 0.00 31.44 30.20 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 -1.94 0.54 0.13 5.31 0.63 -1.26 -4.63 116.66 115.44 2cu8 n ARG 41 Ca -0.00 0.22 0.12 0.00 -0.92 0.00 0.00 57.85 57.26 2cu8 n ARG 41 Cb 0.46 -1.44 0.06 0.00 0.45 0.00 0.00 32.46 32.00 2cu8 n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cu8 n SER 43 N -2.71 -5.71 -4.33 0.00 2.88 -1.17 -4.99 113.62 97.60 2cu8 n SER 43 Ca 0.01 -0.62 -0.33 0.00 -1.33 0.00 0.00 58.87 56.61 2cu8 n SER 43 Cb 0.53 -4.70 -0.15 0.00 -0.75 0.00 0.00 64.21 59.14 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 -6.37 3.16 0.62 -1.46 2.20 -1.26 -4.76 119.74 111.87 2cu8 s LYS 44 Ca 0.58 -0.76 -0.16 0.00 -0.36 0.00 0.00 55.97 55.28 2cu8 s LYS 44 Cb -0.27 -2.48 -0.13 0.00 -1.51 0.00 0.00 37.83 33.43 2cu8 s LYS 44 CO 0.76 0.25 -0.34 -2.37 -0.36 0.00 0.00 175.35 173.29 2cu8 n THR 45 N 3.38 0.00 -4.29 3.43 5.66 -1.26 -3.19 114.28 118.00 2cu8 n THR 45 Ca -0.18 -0.45 -0.16 0.00 -3.05 0.00 0.00 64.05 60.21 2cu8 n THR 45 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 2cu8 n THR 45 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2cu8 s LEU 46 N 5.50 1.74 -0.21 1.09 1.43 -1.25 -4.82 118.68 122.17 2cu8 s LEU 46 Ca 0.45 -1.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.05 2cu8 s LEU 46 Cb -0.34 0.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 2cu8 s LEU 46 CO 0.65 -0.69 0.49 -0.89 0.23 0.00 0.00 176.35 176.14 2cu8 s THR 47 N -3.74 5.12 -1.05 5.49 2.01 -1.26 -4.99 115.64 117.22 2cu8 s THR 47 Ca 0.34 0.88 -0.24 0.00 0.31 0.00 0.00 61.69 62.99 2cu8 s THR 47 Cb 0.07 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 2cu8 s THR 47 CO 0.11 0.18 1.94 -2.16 -0.69 0.00 0.00 174.62 174.00 2cu8 s PRO 48 N 1.67 2.52 0.00 4.92 0.04 -1.26 -3.19 135.00 139.70 2cu8 s PRO 48 Ca 0.22 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.53 2cu8 s PRO 48 Cb -0.15 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2cu8 s PRO 48 CO 0.09 -3.69 0.00 0.41 0.04 0.00 0.00 177.00 173.85 2cu8 n GLY 49 N 6.32 0.57 0.00 0.56 0.00 -1.26 -4.81 105.19 106.57 2cu8 n GLY 49 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 3.33 -0.02 0.00 -1.19 -5.00 105.19 102.30 2cu8 n GLY 50 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 1.58 0.25 1.61 -3.43 -1.26 -4.83 115.29 109.21 2cu8 s HIS 51 Ca 0.00 -1.35 0.07 0.00 -0.80 0.00 0.00 55.06 52.98 2cu8 s HIS 51 Cb 0.00 -0.86 -0.04 0.00 -1.43 0.00 0.00 32.58 30.26 2cu8 s HIS 51 CO 0.00 -0.50 0.22 0.00 -2.00 0.00 0.00 174.74 172.45 2cu8 s ALA 52 N -3.63 3.63 0.00 -1.38 0.00 -1.17 -4.98 121.76 114.23 2cu8 s ALA 52 Ca 0.36 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 2cu8 s ALA 52 Cb 0.05 -1.36 -0.00 0.00 0.00 0.00 0.00 23.12 21.81 2cu8 s ALA 52 CO 0.17 0.26 0.06 -1.83 0.00 0.00 0.00 175.76 174.42 2cu8 s GLU 53 N -3.83 0.33 -0.25 0.00 -1.05 -1.26 -0.36 118.70 112.28 2cu8 s GLU 53 Ca 0.33 -0.36 -0.02 0.00 -0.15 0.00 0.00 54.97 54.77 2cu8 s GLU 53 Cb -0.08 0.13 0.13 0.00 -0.44 0.00 0.00 34.13 33.87 2cu8 s GLU 53 CO 0.25 -0.07 0.35 -1.58 0.95 0.00 0.00 175.26 175.16 2cu8 s HIS 54 N -1.08 -0.72 -0.55 4.83 2.46 0.10 -4.87 115.29 115.45 2cu8 s HIS 54 Ca -0.12 0.58 0.00 0.00 0.47 0.00 0.00 55.06 55.99 2cu8 s HIS 54 Cb -0.07 -0.11 0.00 0.00 -0.13 0.00 0.00 32.58 32.27 2cu8 s HIS 54 CO 0.00 -0.75 0.00 -3.47 -2.47 0.00 0.00 174.74 168.05 2cu8 n ASP 55 N 5.35 -2.88 0.00 9.88 2.03 -1.26 -2.97 116.55 126.70 2cu8 n ASP 55 Ca -0.03 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2cu8 n ASP 55 Cb 0.50 -1.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 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 -1.47 3.08 3.71 0.27 0.00 -1.26 -5.02 105.19 104.50 2cu8 n GLY 56 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.33 4.33 0.44 1.61 3.01 -1.16 -4.86 119.74 122.78 2cu8 s LYS 57 Ca 0.00 0.56 -0.24 0.00 -1.01 0.00 0.00 55.97 55.28 2cu8 s LYS 57 Cb 0.00 -3.47 -0.08 0.00 -1.01 0.00 0.00 37.83 33.27 2cu8 s LYS 57 CO 0.00 0.05 1.18 -1.25 0.51 0.00 0.00 175.35 175.84 2cu8 s PRO 58 N 0.94 3.87 -0.13 -1.68 0.04 -1.26 -0.72 135.00 136.05 2cu8 s PRO 58 Ca 0.29 1.82 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 2cu8 s PRO 58 Cb -0.16 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.92 2cu8 s PRO 58 CO 0.12 -0.47 0.29 -0.06 0.04 0.00 0.00 177.00 176.91 2cu8 s PHE 59 N -1.48 -0.44 0.98 0.56 0.08 0.52 -2.61 117.98 115.59 2cu8 s PHE 59 Ca 0.61 0.99 -0.15 0.00 0.12 0.00 0.00 56.93 58.49 2cu8 s PHE 59 Cb -0.30 0.06 -0.07 0.00 -0.57 0.00 0.00 43.02 42.13 2cu8 s PHE 59 CO 0.37 -0.32 -0.32 0.00 -0.10 0.00 0.00 175.22 174.85 2cu8 h HIS 61 N -1.23 1.09 0.00 0.00 3.86 -1.93 -0.79 115.15 116.16 2cu8 h HIS 61 Ca -0.44 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2cu8 h HIS 61 Cb 1.29 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2cu8 h HIS 61 CO 0.28 0.42 0.00 0.36 0.86 0.00 0.00 177.93 179.85 2cu8 n LYS 62 N -4.61 0.00 0.19 2.45 2.85 -1.26 -3.29 118.16 114.49 2cu8 n LYS 62 Ca 0.19 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.59 2cu8 n LYS 62 Cb 0.38 0.00 0.58 0.00 -0.65 0.00 0.00 35.03 35.34 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 0.25 -0.65 0.00 5.03 -1.24 -2.69 116.97 117.66 2cu8 h TYR 65 Ca 0.00 0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.38 2cu8 h TYR 65 Cb 0.00 -0.07 -0.08 0.00 1.55 0.00 0.00 36.73 38.13 2cu8 h TYR 65 CO -0.14 0.14 -0.39 0.00 -1.32 0.00 0.00 178.16 176.45 2cu8 n ALA 66 N -2.23 -0.42 0.29 1.82 0.00 0.48 -0.39 120.51 120.07 2cu8 n ALA 66 Ca -0.01 0.56 -0.17 0.00 0.00 0.00 0.00 53.44 53.81 2cu8 n ALA 66 Cb 0.07 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.10 0.00 2.02 -0.43 -2.12 112.91 111.28 2cu8 h THR 67 Ca 0.10 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.70 2cu8 h THR 67 Cb 0.27 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.51 2cu8 h THR 67 CO -0.61 0.00 0.64 -0.07 0.37 0.00 0.00 175.52 175.84 2cu8 h LEU 68 N -0.97 0.32 -7.27 2.58 3.38 -1.02 -2.68 115.31 109.65 2cu8 h LEU 68 Ca -0.07 0.22 -0.66 0.00 0.09 0.00 0.00 57.88 57.47 2cu8 h LEU 68 Cb 0.83 0.22 -0.39 0.00 0.09 0.00 0.00 40.66 41.41 2cu8 h LEU 68 CO -0.03 -0.34 -0.42 -0.36 0.09 0.00 0.00 178.44 177.38 2cu8 s PHE 69 N -5.47 3.57 0.00 1.13 0.40 0.48 -4.94 117.98 113.15 2cu8 s PHE 69 Ca -0.09 -3.14 0.00 0.00 -0.60 0.00 0.00 56.93 53.10 2cu8 s PHE 69 Cb 0.33 -2.95 0.00 0.00 0.51 0.00 0.00 43.02 40.91 2cu8 s PHE 69 CO 0.79 -0.67 0.00 0.41 0.70 0.00 0.00 175.22 176.45 2cu8 n GLY 70 N 2.48 0.98 3.52 4.36 0.00 -1.01 -4.73 105.19 110.80 2cu8 n GLY 70 Ca 0.16 0.38 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 2cu8 n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cu8 n SER 71 N 0.00 1.15 -3.79 1.61 7.64 -1.26 -4.87 113.62 114.09 2cu8 n SER 71 Ca 0.00 -0.26 -0.13 0.00 1.01 0.00 0.00 58.87 59.50 2cu8 n SER 71 Cb 0.00 -1.23 -0.12 0.00 -1.01 0.00 0.00 64.21 61.86 2cu8 n SER 71 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cu8 s GLY 72 N 10.01 -0.17 -0.72 0.23 0.00 -1.26 -5.10 107.32 110.31 2cu8 s GLY 72 Ca 1.17 0.63 -0.26 0.00 0.00 0.00 0.00 44.72 46.26 2cu8 s GLY 72 CO 0.37 0.53 1.89 2.56 0.00 0.00 0.00 173.10 178.46 2cu8 s PRO 73 N 0.03 2.60 -0.66 2.90 0.04 -1.26 -4.91 135.00 133.73 2cu8 s PRO 73 Ca -0.01 0.28 -0.26 0.00 0.04 0.00 0.00 61.00 61.05 2cu8 s PRO 73 Cb -0.02 -4.64 -0.07 0.00 0.04 0.00 0.00 34.50 29.81 2cu8 s PRO 73 CO 0.00 -2.97 2.18 -1.12 0.04 0.00 0.00 177.00 175.14 2cu8 s SER 74 N 8.09 4.65 0.81 6.66 0.01 -1.26 -4.91 113.70 127.74 2cu8 s SER 74 Ca 0.68 0.34 -0.17 0.00 1.31 0.00 0.00 55.95 58.11 2cu8 s SER 74 Cb -0.10 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.45 2cu8 s SER 74 CO 0.13 -2.96 -0.56 -0.24 0.41 0.00 0.00 173.24 170.02 2cu8 n SER 75 N 15.39 -5.08 -0.82 2.44 2.88 -1.26 -5.35 113.62 121.83 2cu8 n SER 75 Ca 0.35 0.32 0.10 0.00 -1.33 0.00 0.00 58.87 58.32 2cu8 n SER 75 Cb 0.50 -0.76 0.08 0.00 -0.75 0.00 0.00 64.21 63.29 2cu8 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42