#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1off s SER 3 N 0.00 1.89 0.16 0.00 0.15 -1.26 -0.41 113.70 114.22 1off s SER 3 Ca 0.00 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.30 1off s SER 3 Cb 0.00 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1off s SER 3 CO 0.00 0.09 -0.21 -0.31 1.20 0.00 0.00 173.24 174.01 1off s TYR 4 N -0.75 1.98 -0.21 3.44 2.02 0.30 -4.93 117.35 119.20 1off s TYR 4 Ca 0.04 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.12 1off s TYR 4 Cb -0.08 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 1off s TYR 4 CO 0.01 0.36 0.57 0.99 -1.57 0.00 0.00 175.55 175.91 1off s THR 5 N -1.72 5.06 -0.28 -0.71 2.01 -1.26 -0.40 115.64 118.34 1off s THR 5 Ca 0.15 1.05 -0.03 0.00 0.31 0.00 0.00 61.69 63.17 1off s THR 5 Cb -0.07 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.58 1off s THR 5 CO 0.07 0.13 0.00 -0.69 -0.69 0.00 0.00 174.62 173.44 1off s VAL 6 N 1.89 3.26 -0.08 3.82 1.01 0.74 -1.66 120.40 129.39 1off s VAL 6 Ca 0.26 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 1off s VAL 6 Cb -0.16 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1off s VAL 6 CO 0.10 0.07 0.72 -0.75 0.00 0.00 0.00 175.10 175.23 1off s LYS 7 N 1.36 4.41 -0.16 2.72 2.20 0.39 -0.71 119.74 129.95 1off s LYS 7 Ca -0.01 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 1off s LYS 7 Cb -0.18 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1off s LYS 7 CO -0.01 0.00 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.31 1off s LEU 8 N 1.00 2.42 -0.37 5.43 1.43 0.28 -0.82 118.68 128.06 1off s LEU 8 Ca 0.38 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1off s LEU 8 Cb -0.18 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.55 1off s LEU 8 CO 0.17 0.07 0.16 -0.63 0.23 0.00 0.00 176.35 176.35 1off s ILE 9 N 0.90 3.88 0.43 -0.59 1.01 -0.49 -0.52 121.20 125.82 1off s ILE 9 Ca -0.04 -1.27 0.08 0.00 0.00 0.00 0.00 60.65 59.42 1off s ILE 9 Cb -0.15 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1off s ILE 9 CO -0.02 -0.31 0.51 0.42 0.00 0.00 0.00 174.94 175.54 1off s THR 10 N 1.39 2.78 0.64 2.92 -4.23 0.06 -0.26 115.64 118.93 1off s THR 10 Ca 0.00 -1.15 0.33 0.00 -1.18 0.00 0.00 61.69 59.70 1off s THR 10 Cb -0.21 -2.92 0.36 0.00 1.34 0.00 0.00 72.50 71.07 1off s THR 10 CO 0.02 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 175.53 1off h PRO 11 N 0.76 0.00 0.06 3.99 0.11 -1.95 -2.65 132.00 132.32 1off h PRO 11 Ca -0.40 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.42 1off h PRO 11 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1off h PRO 11 CO 0.50 0.00 -1.58 -0.44 -0.21 0.00 0.00 178.00 176.27 1off h ASP 12 N 0.00 0.20 0.00 -2.05 3.32 -2.00 -3.51 116.42 112.39 1off h ASP 12 Ca 0.04 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1off h ASP 12 Cb 0.49 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1off h ASP 12 CO -0.00 1.28 0.00 0.61 -1.72 0.00 0.00 179.24 179.41 1off n GLY 13 N 1.63 -0.76 2.91 2.75 0.00 -1.00 -5.15 105.19 105.56 1off n GLY 13 Ca -0.16 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 1off n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1off s GLU 14 N -1.11 0.61 0.14 1.61 2.02 -1.26 -0.76 118.70 119.95 1off s GLU 14 Ca 0.00 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 54.89 1off s GLU 14 Cb 0.00 -0.63 -0.04 0.00 0.10 0.00 0.00 34.13 33.55 1off s GLU 14 CO 0.00 -0.01 -0.01 -1.12 0.02 0.00 0.00 175.26 174.14 1off s SER 15 N 0.54 1.00 -0.04 -0.19 0.01 0.32 -4.98 113.70 110.36 1off s SER 15 Ca -0.07 -1.13 0.02 0.00 1.31 0.00 0.00 55.95 56.08 1off s SER 15 Cb -0.10 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.29 1off s SER 15 CO -0.00 -0.58 -0.09 -0.44 0.41 0.00 0.00 173.24 172.54 1off s SER 16 N -3.11 1.34 0.15 2.44 0.01 -1.26 0.10 113.70 113.38 1off s SER 16 Ca 0.20 -0.21 0.07 0.00 1.31 0.00 0.00 55.95 57.32 1off s SER 16 Cb 0.06 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 1off s SER 16 CO 0.01 0.04 -0.15 0.27 0.41 0.00 0.00 173.24 173.82 1off s ILE 17 N 0.41 1.53 -0.02 1.44 -4.36 0.11 -4.95 121.20 115.36 1off s ILE 17 Ca -0.07 -1.92 -0.18 0.00 -0.26 0.00 0.00 60.65 58.22 1off s ILE 17 Cb -0.11 -1.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.78 1off s ILE 17 CO 0.01 -0.46 0.52 -1.61 0.24 0.00 0.00 174.94 173.63 1off s GLU 18 N -3.03 4.22 -0.08 0.37 0.41 -1.26 -0.18 118.70 119.15 1off s GLU 18 Ca 0.15 0.58 -0.03 0.00 -0.41 0.00 0.00 54.97 55.26 1off s GLU 18 Cb -0.03 -3.33 0.04 0.00 -1.78 0.00 0.00 34.13 29.03 1off s GLU 18 CO 0.05 0.42 0.13 0.00 -0.49 0.00 0.00 175.26 175.37 1off s SER 20 N 2.25 4.06 0.22 0.00 0.01 -1.26 -0.54 113.70 118.45 1off s SER 20 Ca 0.04 2.27 0.18 0.00 1.31 0.00 0.00 55.95 59.75 1off s SER 20 Cb -0.12 -2.58 0.87 0.00 0.21 0.00 0.00 66.02 64.40 1off s SER 20 CO -0.05 -2.35 1.54 -0.90 0.41 0.00 0.00 173.24 171.89 1off n ASP 21 N -3.00 0.44 -0.99 2.44 5.68 0.45 -1.67 116.55 119.90 1off n ASP 21 Ca 0.13 0.67 0.02 0.00 -0.50 0.00 0.00 54.79 55.11 1off n ASP 21 Cb 0.51 -0.74 0.23 0.00 -1.14 0.00 0.00 41.12 39.97 1off n ASP 21 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1off n ASP 22 N -2.05 3.20 -4.29 -1.12 5.75 -1.26 -4.67 116.55 112.10 1off n ASP 22 Ca 0.00 -3.36 -0.32 0.00 -0.01 0.00 0.00 54.79 51.10 1off n ASP 22 Cb 0.09 -0.58 -0.16 0.00 -1.03 0.00 0.00 41.12 39.44 1off n ASP 22 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1off s THR 23 N -3.02 2.36 0.52 2.12 2.01 -0.67 -5.12 115.64 113.84 1off s THR 23 Ca 0.43 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 1off s THR 23 Cb 0.37 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 1off s THR 23 CO 0.05 0.56 1.24 -0.31 -0.69 0.00 0.00 174.62 175.46 1off s TYR 24 N 0.10 2.55 0.22 4.92 2.02 -1.26 -4.34 117.35 121.56 1off s TYR 24 Ca -0.10 1.48 -0.09 0.00 -0.37 0.00 0.00 57.07 57.99 1off s TYR 24 Cb -0.16 -3.54 0.21 0.00 -0.40 0.00 0.00 41.96 38.08 1off s TYR 24 CO 0.06 -2.14 1.87 0.82 -1.57 0.00 0.00 175.55 174.59 1off h ILE 25 N 1.46 1.15 -0.75 2.71 2.04 -0.55 0.11 117.51 123.68 1off h ILE 25 Ca -0.50 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.02 1off h ILE 25 Cb 1.28 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1off h ILE 25 CO 0.58 0.19 0.50 0.25 0.00 0.00 0.00 178.15 179.66 1off h LEU 26 N 1.02 0.86 -0.38 1.44 5.85 -1.48 -0.56 115.31 122.06 1off h LEU 26 Ca 0.31 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 1off h LEU 26 Cb -0.04 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1off h LEU 26 CO -0.10 0.62 0.03 0.44 -0.34 0.00 0.00 178.44 179.10 1off h ASP 27 N 1.01 0.63 -0.92 1.25 3.32 -1.52 -0.50 116.42 119.70 1off h ASP 27 Ca 0.28 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1off h ASP 27 Cb -0.11 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.21 1off h ASP 27 CO -0.06 0.76 0.60 0.00 -1.72 0.00 0.00 179.24 178.82 1off h ALA 28 N 0.90 1.46 -0.32 3.45 0.00 -0.74 -0.12 119.26 123.88 1off h ALA 28 Ca 0.11 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1off h ALA 28 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1off h ALA 28 CO 0.01 0.42 -0.19 0.00 0.00 0.00 0.00 179.25 179.49 1off h ALA 29 N 1.48 0.46 -0.94 0.00 0.00 -0.45 -2.03 119.26 117.79 1off h ALA 29 Ca 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1off h ALA 29 Cb 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1off h ALA 29 CO -0.14 0.40 0.59 0.93 0.00 0.00 0.00 179.25 181.03 1off h GLU 30 N 0.46 1.25 -0.79 0.00 5.08 -0.85 -2.02 114.58 117.72 1off h GLU 30 Ca 0.07 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1off h GLU 30 Cb 0.74 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1off h GLU 30 CO 0.05 0.86 0.48 0.93 -1.00 0.00 0.00 179.01 180.33 1off h GLU 31 N 1.28 1.07 0.00 2.33 5.08 -0.71 -0.58 114.58 123.05 1off h GLU 31 Ca 0.34 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1off h GLU 31 Cb -0.10 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.92 1off h GLU 31 CO -0.07 0.75 -0.34 0.00 -1.00 0.00 0.00 179.01 178.35 1off h ALA 32 N 1.44 1.20 0.00 3.43 0.00 -0.91 -3.46 119.26 120.96 1off h ALA 32 Ca 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1off h ALA 32 Cb -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1off h ALA 32 CO -0.05 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1off n GLY 33 N -0.22 1.08 3.84 0.00 0.00 -0.23 -5.12 105.19 104.55 1off n GLY 33 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1off n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1off s LEU 34 N 0.00 3.12 -0.54 0.99 1.43 -0.81 -4.99 118.68 117.90 1off s LEU 34 Ca 0.00 1.49 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 1off s LEU 34 Cb 0.00 -4.41 0.13 0.00 0.03 0.00 0.00 46.19 41.94 1off s LEU 34 CO 0.00 -1.24 0.28 -0.62 0.23 0.00 0.00 176.35 175.00 1off s ASP 35 N -3.99 4.34 0.19 2.29 2.15 -1.26 -4.16 116.67 116.24 1off s ASP 35 Ca 0.57 -3.09 -0.01 0.00 0.43 0.00 0.00 52.55 50.45 1off s ASP 35 Cb -0.13 -1.63 -0.04 0.00 -0.30 0.00 0.00 42.92 40.82 1off s ASP 35 CO 0.54 -0.22 0.39 -0.76 -0.17 0.00 0.00 175.17 174.95 1off s LEU 36 N -0.40 4.23 0.56 -1.34 1.43 -1.26 -5.09 118.68 116.82 1off s LEU 36 Ca 0.18 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.52 1off s LEU 36 Cb -0.24 -3.19 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 1off s LEU 36 CO -0.02 -0.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.47 1off s PRO 37 N -3.23 3.34 0.02 1.29 0.04 -1.26 -5.06 135.00 130.14 1off s PRO 37 Ca 0.39 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 1off s PRO 37 Cb -0.11 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1off s PRO 37 CO 0.29 -0.83 0.97 1.52 0.04 0.00 0.00 177.00 178.98 1off s TYR 38 N -2.02 -0.24 0.00 0.56 -0.85 -1.26 -4.12 117.35 109.42 1off s TYR 38 Ca 0.69 0.06 0.00 0.00 -0.52 0.00 0.00 57.07 57.30 1off s TYR 38 Cb -0.21 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.70 1off s TYR 38 CO 0.30 -0.58 0.00 0.45 -1.52 0.00 0.00 175.55 174.20 1off n SER 39 N -0.32 0.00 0.22 -0.18 2.88 -1.26 -4.94 113.62 110.02 1off n SER 39 Ca -0.07 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.54 1off n SER 39 Cb 0.61 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.56 1off n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1off n ARG 41 N -3.79 -2.64 -0.17 0.00 1.74 -1.26 -4.82 116.66 105.71 1off n ARG 41 Ca -0.01 0.32 0.01 0.00 -0.77 0.00 0.00 57.85 57.39 1off n ARG 41 Cb 0.37 -4.89 0.01 0.00 -1.02 0.00 0.00 32.46 26.93 1off n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1off n ALA 42 N -2.63 1.56 -1.02 7.54 0.00 -1.26 -4.87 120.51 119.83 1off n ALA 42 Ca -0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 53.44 52.46 1off n ALA 42 Cb 0.55 -0.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 1off n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1off n GLY 43 N -0.19 0.48 0.77 0.00 0.00 -1.26 -4.83 105.19 100.16 1off n GLY 43 Ca 0.01 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.68 1off n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1off n ALA 44 N 1.01 2.56 -3.00 4.61 0.00 -1.26 -0.44 120.51 123.99 1off n ALA 44 Ca -0.01 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.76 1off n ALA 44 Cb 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1off n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1off n SER 46 N -1.46 1.34 -0.28 0.00 3.41 -1.26 -4.75 113.62 110.61 1off n SER 46 Ca 0.00 -1.47 0.04 0.00 -0.26 0.00 0.00 58.87 57.18 1off n SER 46 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 1off n SER 46 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1off h THR 47 N 0.27 0.83 -0.49 6.66 2.02 -1.95 -2.10 112.91 118.16 1off h THR 47 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1off h THR 47 Cb 0.33 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1off h THR 47 CO 0.00 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.01 1off n ALA 49 N 0.82 2.01 -2.38 0.00 0.00 -0.79 -2.68 120.51 117.49 1off n ALA 49 Ca 0.19 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.79 1off n ALA 49 Cb 0.63 -2.38 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 1off n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1off s GLY 50 N 0.14 2.13 -0.14 0.00 0.00 0.17 -1.82 107.32 107.80 1off s GLY 50 Ca 0.60 -1.71 -0.00 0.00 0.00 0.00 0.00 44.72 43.61 1off s GLY 50 CO 0.55 -1.66 -0.10 1.25 0.00 0.00 0.00 173.10 173.14 1off s LYS 51 N -3.83 1.88 -0.01 2.90 2.20 0.65 -1.01 119.74 122.53 1off s LYS 51 Ca 0.34 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 1off s LYS 51 Cb 0.05 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.41 1off s LYS 51 CO 0.16 -0.29 1.11 -1.50 -0.36 0.00 0.00 175.35 174.48 1off s ILE 52 N 1.58 4.43 -0.03 5.43 2.07 0.56 -0.26 121.20 134.98 1off s ILE 52 Ca 0.04 1.74 0.10 0.00 -1.41 0.00 0.00 60.65 61.13 1off s ILE 52 Cb -0.13 -4.12 -0.16 0.00 0.13 0.00 0.00 42.46 38.18 1off s ILE 52 CO -0.09 0.08 0.20 0.35 -1.91 0.00 0.00 174.94 173.56 1off n THR 53 N 4.21 0.12 -3.80 4.00 -2.24 -0.24 -4.70 114.28 111.63 1off n THR 53 Ca 0.09 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1off n THR 53 Cb 0.48 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 1off n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1off s ALA 54 N -2.65 -0.61 0.00 6.98 0.00 -1.23 -4.98 121.76 119.28 1off s ALA 54 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1off s ALA 54 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1off s ALA 54 CO 0.43 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.39 1off n GLY 55 N 1.63 -2.05 3.15 0.00 0.00 -1.26 -1.77 105.19 104.90 1off n GLY 55 Ca -0.20 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 1off n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1off s SER 56 N -3.90 0.23 0.33 1.61 1.04 -1.26 -4.95 113.70 106.79 1off s SER 56 Ca 0.00 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.78 1off s SER 56 Cb 0.00 0.27 -0.07 0.00 0.10 0.00 0.00 66.02 66.33 1off s SER 56 CO 0.00 -0.64 0.03 0.68 0.98 0.00 0.00 173.24 174.29 1off s VAL 57 N -3.52 1.42 -0.38 5.02 -7.23 -1.26 -0.96 120.40 113.49 1off s VAL 57 Ca 0.03 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 1off s VAL 57 Cb 0.04 -2.75 0.09 0.00 0.56 0.00 0.00 36.38 34.32 1off s VAL 57 CO -0.09 -0.07 0.16 -0.62 -0.31 0.00 0.00 175.10 174.18 1off s ASP 58 N -3.51 5.23 -0.44 4.85 2.15 0.11 -4.74 116.67 120.33 1off s ASP 58 Ca 0.35 -1.74 0.04 0.00 0.43 0.00 0.00 52.55 51.62 1off s ASP 58 Cb 0.08 -1.83 0.45 0.00 -0.30 0.00 0.00 42.92 41.32 1off s ASP 58 CO 0.15 -0.47 1.47 0.00 -0.17 0.00 0.00 175.17 176.15 1off n GLN 59 N 4.66 3.29 0.18 4.34 10.64 -1.26 -0.76 117.38 138.47 1off n GLN 59 Ca -0.06 -3.91 0.16 0.00 -1.83 0.00 0.00 57.00 51.36 1off n GLN 59 Cb 0.42 -2.28 0.78 0.00 -0.86 0.00 0.00 30.24 28.30 1off n GLN 59 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1off h SER 60 N 2.19 0.00 0.01 2.61 4.64 -1.94 0.12 113.55 121.18 1off h SER 60 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1off h SER 60 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1off h SER 60 CO 1.05 0.00 -0.01 0.47 -0.87 0.00 0.00 176.83 177.47 1off n ASP 61 N -4.02 1.03 -4.77 4.97 8.00 -1.26 -4.86 116.55 115.63 1off n ASP 61 Ca 0.02 -1.31 -0.39 0.00 0.71 0.00 0.00 54.79 53.82 1off n ASP 61 Cb 0.33 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.42 1off n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1off s GLN 62 N -2.03 3.97 0.00 -1.24 1.03 0.03 -4.61 119.66 116.82 1off s GLN 62 Ca 0.40 2.07 0.00 0.00 0.04 0.00 0.00 55.36 57.88 1off s GLN 62 Cb 0.21 -2.73 0.00 0.00 0.03 0.00 0.00 33.01 30.52 1off s GLN 62 CO 0.35 -0.46 0.84 -1.13 -2.54 0.00 0.00 175.29 172.35 1off n SER 63 N 0.10 0.00 -0.09 12.60 3.41 0.41 -4.91 113.62 125.14 1off n SER 63 Ca 0.04 -1.68 -0.12 0.00 -0.26 0.00 0.00 58.87 56.85 1off n SER 63 Cb 0.44 -0.14 -0.09 0.00 -0.26 0.00 0.00 64.21 64.16 1off n SER 63 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1off n PHE 64 N 0.00 0.00 -2.64 7.33 7.35 -1.11 -4.90 117.46 123.49 1off n PHE 64 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1off n PHE 64 Cb 0.64 -0.72 -0.04 0.00 0.35 0.00 0.00 39.48 39.70 1off n PHE 64 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1off s LEU 65 N -5.91 4.48 0.86 -2.13 1.43 -1.26 -5.02 118.68 111.14 1off s LEU 65 Ca -0.22 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1off s LEU 65 Cb 0.06 -3.59 0.14 0.00 0.03 0.00 0.00 46.19 42.83 1off s LEU 65 CO 0.46 -0.15 1.21 1.51 0.23 0.00 0.00 176.35 179.62 1off s ASP 66 N 0.07 3.89 0.28 2.29 1.47 -1.26 -4.85 116.67 118.56 1off s ASP 66 Ca 0.49 0.43 -0.01 0.00 1.18 0.00 0.00 52.55 54.63 1off s ASP 66 Cb -0.25 -0.72 0.40 0.00 -0.34 0.00 0.00 42.92 42.01 1off s ASP 66 CO 0.31 -2.25 1.83 0.44 0.68 0.00 0.00 175.17 176.18 1off h ASP 67 N -1.24 0.77 -0.35 2.11 3.32 -1.99 -0.68 116.42 118.36 1off h ASP 67 Ca -0.44 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.31 1off h ASP 67 Cb 1.28 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1off h ASP 67 CO 0.51 0.75 -0.41 0.44 -1.72 0.00 0.00 179.24 178.81 1off h ASP 68 N 0.80 0.97 -0.75 6.45 3.32 -1.99 -0.62 116.42 124.59 1off h ASP 68 Ca 0.18 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 1off h ASP 68 Cb 0.29 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1off h ASP 68 CO -0.00 1.26 0.35 1.56 -1.72 0.00 0.00 179.24 180.68 1off h GLN 69 N 0.71 1.11 -0.30 3.56 4.20 -1.79 -1.07 115.11 121.52 1off h GLN 69 Ca 0.05 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1off h GLN 69 Cb 1.00 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1off h GLN 69 CO 0.10 0.87 0.12 0.82 -0.67 0.00 0.00 178.83 180.07 1off h ILE 70 N 1.10 1.18 -0.73 2.54 2.04 -1.01 -1.42 117.51 121.20 1off h ILE 70 Ca 0.26 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 65.68 1off h ILE 70 Cb 0.14 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1off h ILE 70 CO -0.03 0.19 0.37 -0.08 0.00 0.00 0.00 178.15 178.59 1off h GLU 71 N 0.34 0.59 0.00 2.37 4.57 -0.63 -0.55 114.58 121.27 1off h GLU 71 Ca 0.10 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1off h GLU 71 Cb 0.18 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1off h GLU 71 CO -0.01 0.39 0.00 0.00 -1.18 0.00 0.00 179.01 178.21 1off n ALA 72 N -2.42 1.76 -0.05 2.92 0.00 -0.45 -4.86 120.51 117.42 1off n ALA 72 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1off n ALA 72 Cb 0.29 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1off n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1off n GLY 73 N -0.19 0.89 3.76 0.00 0.00 -0.22 -4.89 105.19 104.54 1off n GLY 73 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1off n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1off s TYR 74 N -2.02 3.44 0.06 1.61 2.02 -0.55 -0.33 117.35 121.58 1off s TYR 74 Ca 0.00 1.59 0.03 0.00 -0.37 0.00 0.00 57.07 58.32 1off s TYR 74 Cb 0.00 -3.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.13 1off s TYR 74 CO 0.00 -0.95 -0.09 0.14 -1.57 0.00 0.00 175.55 173.07 1off s VAL 75 N -0.96 0.74 -0.50 0.71 -7.23 -0.18 -4.57 120.40 108.41 1off s VAL 75 Ca 0.47 -1.33 -0.14 0.00 -1.81 0.00 0.00 61.98 59.17 1off s VAL 75 Cb -0.34 -0.97 0.11 0.00 0.56 0.00 0.00 36.38 35.75 1off s VAL 75 CO 0.43 -0.45 0.42 -0.76 -0.31 0.00 0.00 175.10 174.43 1off s LEU 76 N -1.96 5.89 0.66 1.32 1.43 -1.26 -0.66 118.68 124.10 1off s LEU 76 Ca -0.03 -1.72 0.40 0.00 -1.03 0.00 0.00 54.13 51.74 1off s LEU 76 Cb -0.07 -2.14 2.18 0.00 0.03 0.00 0.00 46.19 46.20 1off s LEU 76 CO 0.00 -0.76 2.26 0.71 0.23 0.00 0.00 176.35 178.79 1off h THR 77 N 5.95 0.07 0.00 5.49 1.35 -1.85 -2.25 112.91 121.66 1off h THR 77 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1off h THR 77 Cb 1.09 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1off h THR 77 CO 0.95 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.22 1off n VAL 79 N -2.65 0.99 -3.79 0.00 0.24 -0.88 -4.84 118.33 107.40 1off n VAL 79 Ca 0.03 -1.14 -0.36 0.00 -2.04 0.00 0.00 64.34 60.83 1off n VAL 79 Cb 0.39 0.26 -0.11 0.00 -1.47 0.00 0.00 33.84 32.90 1off n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1off s ALA 80 N -1.40 3.37 0.01 2.33 0.00 -1.02 -4.35 121.76 120.71 1off s ALA 80 Ca 0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1off s ALA 80 Cb 0.12 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1off s ALA 80 CO 0.01 -0.26 0.23 0.71 0.00 0.00 0.00 175.76 176.46 1off s TYR 81 N 1.19 3.56 0.35 0.00 1.51 0.06 -0.17 117.35 123.85 1off s TYR 81 Ca 0.05 0.46 -0.26 0.00 -1.01 0.00 0.00 57.07 56.32 1off s TYR 81 Cb -0.14 -1.91 -0.09 0.00 -0.11 0.00 0.00 41.96 39.71 1off s TYR 81 CO 0.04 0.62 1.07 -1.25 -1.11 0.00 0.00 175.55 174.92 1off s PRO 82 N -1.91 4.36 0.00 -1.71 0.04 -1.26 0.09 135.00 134.61 1off s PRO 82 Ca 0.28 1.64 0.03 0.00 0.04 0.00 0.00 61.00 62.98 1off s PRO 82 Cb -0.13 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.63 1off s PRO 82 CO 0.18 0.00 0.68 0.25 0.04 0.00 0.00 177.00 178.15 1off n THR 83 N 0.45 0.21 -3.87 1.26 -2.24 -0.13 -4.61 114.28 105.35 1off n THR 83 Ca 0.02 -0.60 -0.09 0.00 -2.27 0.00 0.00 64.05 61.11 1off n THR 83 Cb 0.48 0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1off n THR 83 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1off s SER 84 N -0.38 0.03 0.37 3.42 1.04 -1.18 -4.89 113.70 112.11 1off s SER 84 Ca 0.04 -1.03 -0.28 0.00 0.48 0.00 0.00 55.95 55.16 1off s SER 84 Cb 0.02 0.78 -0.11 0.00 0.10 0.00 0.00 66.02 66.81 1off s SER 84 CO 0.03 -1.52 1.51 -1.81 0.98 0.00 0.00 173.24 172.43 1off s ASP 85 N -3.05 6.32 0.20 7.02 1.01 -1.26 -4.59 116.67 122.33 1off s ASP 85 Ca 0.16 3.06 -0.11 0.00 0.71 0.00 0.00 52.55 56.38 1off s ASP 85 Cb -0.04 -2.67 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 1off s ASP 85 CO 0.11 -0.90 0.37 0.00 0.21 0.00 0.00 175.17 174.97 1off s THR 87 N -4.00 1.22 -0.07 0.00 2.01 -0.73 -0.46 115.64 113.61 1off s THR 87 Ca 0.20 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1off s THR 87 Cb 0.02 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.41 1off s THR 87 CO 0.04 0.38 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.66 1off s ILE 88 N 0.97 0.78 -0.12 1.82 1.01 -0.00 -1.08 121.20 124.58 1off s ILE 88 Ca -0.08 -0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.13 1off s ILE 88 Cb -0.15 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1off s ILE 88 CO -0.00 0.30 0.72 -1.61 0.00 0.00 0.00 174.94 174.35 1off s GLU 89 N 1.30 4.35 0.55 2.79 2.02 0.64 -1.39 118.70 128.96 1off s GLU 89 Ca -0.04 0.86 0.06 0.00 0.02 0.00 0.00 54.97 55.86 1off s GLU 89 Cb -0.14 -3.51 0.06 0.00 0.10 0.00 0.00 34.13 30.65 1off s GLU 89 CO -0.03 -0.10 0.76 0.95 0.02 0.00 0.00 175.26 176.86 1off s THR 90 N 1.38 2.48 -1.19 3.63 -4.23 0.64 -0.25 115.64 118.10 1off s THR 90 Ca 0.36 -0.87 -0.07 0.00 -1.18 0.00 0.00 61.69 59.93 1off s THR 90 Cb -0.17 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.07 1off s THR 90 CO 0.15 0.00 1.03 1.41 -0.54 0.00 0.00 174.62 176.67 1off n HIS 91 N -2.25 -2.48 0.14 3.99 8.25 -1.21 -4.64 115.22 117.01 1off n HIS 91 Ca 0.12 0.90 0.11 0.00 -0.26 0.00 0.00 57.72 58.59 1off n HIS 91 Cb 0.60 -4.64 0.27 0.00 1.12 0.00 0.00 29.99 27.35 1off n HIS 91 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1off n LYS 92 N -4.41 2.48 -0.23 -0.41 4.76 -0.75 -4.60 118.16 114.99 1off n LYS 92 Ca -0.03 -2.27 0.03 0.00 -2.87 0.00 0.00 58.31 53.17 1off n LYS 92 Cb 0.57 -1.51 0.14 0.00 -1.84 0.00 0.00 35.03 32.39 1off n LYS 92 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1off h GLU 93 N 4.01 0.13 -0.21 1.97 4.81 -1.78 -1.45 114.58 122.07 1off h GLU 93 Ca 0.00 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1off h GLU 93 Cb 0.90 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1off h GLU 93 CO 0.00 0.09 0.20 1.05 -0.73 0.00 0.00 179.01 179.62 1off h GLU 94 N 0.14 0.00 -0.29 1.92 4.11 -1.92 0.34 114.58 118.88 1off h GLU 94 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 1off h GLU 94 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1off h GLU 94 CO -0.58 0.00 0.19 -0.44 0.07 0.00 0.00 179.01 178.25 1off h ASP 95 N 0.00 0.33 0.00 3.06 5.19 -1.61 -3.56 116.42 119.82 1off h ASP 95 Ca 0.10 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1off h ASP 95 Cb 0.50 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1off h ASP 95 CO -0.00 0.24 0.00 0.18 -3.12 0.00 0.00 179.24 176.53