#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5o s SER 2 N 0.00 -0.25 -1.65 1.61 0.01 -1.26 -4.90 113.70 107.26 1x5o s SER 2 Ca 0.00 0.74 -0.15 0.00 1.31 0.00 0.00 55.95 57.85 1x5o s SER 2 Cb 0.00 0.74 0.13 0.00 0.21 0.00 0.00 66.02 67.10 1x5o s SER 2 CO 0.00 -0.20 0.72 -1.20 0.41 0.00 0.00 173.24 172.97 1x5o n SER 3 N 4.62 -2.77 -1.34 2.44 7.64 -1.26 -3.99 113.62 118.96 1x5o n SER 3 Ca -0.19 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.68 1x5o n SER 3 Cb 0.53 -2.79 0.00 0.00 -1.01 0.00 0.00 64.21 60.94 1x5o n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5o n GLY 4 N -1.52 -2.57 0.36 0.23 0.00 -1.26 -4.89 105.19 95.53 1x5o n GLY 4 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.65 1x5o n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x5o h SER 5 N 0.00 -1.15 -3.21 1.61 0.87 -1.92 -3.38 113.55 106.37 1x5o h SER 5 Ca 0.00 0.29 -0.53 0.00 -1.23 0.00 0.00 61.79 60.32 1x5o h SER 5 Cb 0.00 0.65 0.04 0.00 -0.44 0.00 0.00 62.40 62.65 1x5o h SER 5 CO 0.00 -0.30 0.72 -0.55 -0.53 0.00 0.00 176.83 176.17 1x5o s SER 6 N -5.29 6.80 0.00 6.23 0.15 -1.26 -4.75 113.70 115.58 1x5o s SER 6 Ca -0.14 2.45 0.00 0.00 0.70 0.00 0.00 55.95 58.95 1x5o s SER 6 Cb 0.22 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x5o s SER 6 CO 0.74 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1x5o n GLY 7 N 2.83 2.08 2.84 9.45 0.00 -1.26 -5.12 105.19 116.01 1x5o n GLY 7 Ca 0.09 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 1x5o n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5o s LEU 8 N 0.00 0.94 -0.17 0.99 1.43 -1.26 -5.08 118.68 115.53 1x5o s LEU 8 Ca 0.00 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1x5o s LEU 8 Cb 0.00 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 1x5o s LEU 8 CO 0.00 -0.16 0.08 -1.59 0.23 0.00 0.00 176.35 174.91 1x5o s LYS 9 N 1.83 3.84 0.32 1.70 -2.85 -1.26 -5.10 119.74 118.22 1x5o s LYS 9 Ca 0.04 -0.29 0.09 0.00 -1.00 0.00 0.00 55.97 54.81 1x5o s LYS 9 Cb -0.13 -3.21 -0.06 0.00 -2.06 0.00 0.00 37.83 32.37 1x5o s LYS 9 CO -0.07 0.41 -0.09 0.00 0.10 0.00 0.00 175.35 175.70 1x5o s ALA 10 N 0.01 2.78 0.56 0.59 0.00 -1.26 -5.12 121.76 119.33 1x5o s ALA 10 Ca 0.07 -2.03 -0.20 0.00 0.00 0.00 0.00 51.96 49.80 1x5o s ALA 10 Cb -0.12 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1x5o s ALA 10 CO 0.00 0.05 1.20 -1.54 0.00 0.00 0.00 175.76 175.48 1x5o s SER 11 N -3.56 5.40 0.00 0.00 1.04 -1.26 -4.89 113.70 110.43 1x5o s SER 11 Ca 0.32 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.13 1x5o s SER 11 Cb 0.02 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1x5o s SER 11 CO 0.15 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1x5o n GLY 12 N 0.47 -1.04 3.76 7.32 0.00 -1.26 -5.15 105.19 109.28 1x5o n GLY 12 Ca 0.12 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 1x5o n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5o s VAL 13 N 0.00 4.53 -0.12 1.61 0.11 -1.26 -5.06 120.40 120.21 1x5o s VAL 13 Ca 0.00 1.73 -0.22 0.00 -2.93 0.00 0.00 61.98 60.56 1x5o s VAL 13 Cb 0.00 -4.16 0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1x5o s VAL 13 CO 0.00 0.43 0.54 -1.58 -3.33 0.00 0.00 175.10 171.16 1x5o s GLN 14 N -0.54 0.78 -0.03 1.54 -0.44 -1.26 -5.17 119.66 114.54 1x5o s GLN 14 Ca 0.38 0.43 0.02 0.00 -2.50 0.00 0.00 55.36 53.69 1x5o s GLN 14 Cb -0.22 0.37 0.01 0.00 -1.64 0.00 0.00 33.01 31.53 1x5o s GLN 14 CO 0.25 -0.17 -0.06 0.00 0.50 0.00 0.00 175.29 175.81 1x5o s ALA 15 N -0.48 0.72 0.11 1.58 0.00 -1.26 -5.06 121.76 117.37 1x5o s ALA 15 Ca -0.06 -0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.41 1x5o s ALA 15 Cb -0.03 -0.36 -0.12 0.00 0.00 0.00 0.00 23.12 22.62 1x5o s ALA 15 CO 0.04 0.06 1.57 1.96 0.00 0.00 0.00 175.76 179.39 1x5o h GLN 16 N 6.80 -0.66 -4.46 0.00 7.50 -2.05 -3.44 115.11 118.80 1x5o h GLN 16 Ca -0.35 0.05 -0.21 0.00 0.50 0.00 0.00 58.65 58.63 1x5o h GLN 16 Cb 1.16 0.15 -0.18 0.00 0.05 0.00 0.00 27.48 28.67 1x5o h GLN 16 CO 0.48 -0.44 -0.71 -1.64 -1.50 0.00 0.00 178.83 175.03 1x5o s MET 17 N -5.84 0.63 1.18 1.46 -1.94 -1.26 -5.16 119.30 108.38 1x5o s MET 17 Ca -0.16 -1.04 -0.14 0.00 -1.71 0.00 0.00 55.69 52.64 1x5o s MET 17 Cb 0.07 -0.11 0.29 0.00 2.01 0.00 0.00 34.83 37.09 1x5o s MET 17 CO 0.62 -0.02 1.02 0.00 -0.01 0.00 0.00 175.02 176.64 1x5o s ALA 18 N -2.70 -0.47 0.36 3.03 0.00 -1.26 -5.06 121.76 115.65 1x5o s ALA 18 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.78 1x5o s ALA 18 Cb -0.01 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1x5o s ALA 18 CO -0.04 -3.88 -0.01 0.15 0.00 0.00 0.00 175.76 171.98 1x5o s LYS 19 N -4.55 1.79 0.88 0.00 -0.14 -1.26 -5.12 119.74 111.34 1x5o s LYS 19 Ca 0.68 -1.98 -0.16 0.00 -1.36 0.00 0.00 55.97 53.16 1x5o s LYS 19 Cb -0.24 -1.40 -0.07 0.00 -1.68 0.00 0.00 37.83 34.44 1x5o s LYS 19 CO 0.64 -0.03 -0.08 0.00 -0.76 0.00 0.00 175.35 175.13 1x5o n GLN 20 N -0.81 -0.03 -3.58 1.68 10.64 -1.26 -4.93 117.38 119.09 1x5o n GLN 20 Ca -0.04 0.02 -0.40 0.00 -1.83 0.00 0.00 57.00 54.75 1x5o n GLN 20 Cb 0.66 -1.44 -0.11 0.00 -0.86 0.00 0.00 30.24 28.48 1x5o n GLN 20 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1x5o s GLN 21 N -2.57 3.47 -0.19 2.61 -0.21 -1.26 -5.01 119.66 116.50 1x5o s GLN 21 Ca 0.52 -0.65 -0.07 0.00 0.02 0.00 0.00 55.36 55.19 1x5o s GLN 21 Cb -0.26 -3.71 0.09 0.00 1.00 0.00 0.00 33.01 30.13 1x5o s GLN 21 CO 0.71 -0.41 0.41 -1.21 -2.12 0.00 0.00 175.29 172.66 1x5o s GLU 22 N 1.69 0.31 -1.26 2.91 0.41 -1.26 -5.08 118.70 116.41 1x5o s GLU 22 Ca 0.06 1.00 -0.16 0.00 -0.41 0.00 0.00 54.97 55.45 1x5o s GLU 22 Cb -0.17 0.28 0.11 0.00 -1.78 0.00 0.00 34.13 32.57 1x5o s GLU 22 CO 0.09 -0.25 1.62 1.14 -0.49 0.00 0.00 175.26 177.38 1x5o s GLN 23 N 2.51 4.03 -0.90 1.61 -2.07 -1.26 -4.06 119.66 119.51 1x5o s GLN 23 Ca -0.02 -2.21 -0.00 0.00 -1.82 0.00 0.00 55.36 51.30 1x5o s GLN 23 Cb -0.12 -5.36 0.28 0.00 -1.09 0.00 0.00 33.01 26.73 1x5o s GLN 23 CO -0.12 -2.07 1.17 -3.47 -1.32 0.00 0.00 175.29 169.47 1x5o n ASP 24 N 7.37 5.31 0.00 12.60 2.03 -1.26 -4.83 116.55 137.77 1x5o n ASP 24 Ca 0.44 -3.42 0.07 0.00 0.52 0.00 0.00 54.79 52.41 1x5o n ASP 24 Cb 0.45 -1.03 0.33 0.00 -0.72 0.00 0.00 41.12 40.15 1x5o n ASP 24 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x5o n PRO 25 N 1.17 0.09 -0.08 -0.67 -0.04 -1.26 -3.22 135.00 130.99 1x5o n PRO 25 Ca 0.27 0.21 0.21 0.00 -0.04 0.00 0.00 63.50 64.16 1x5o n PRO 25 Cb 0.36 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 32.98 1x5o n PRO 25 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1x5o h THR 26 N 0.00 0.70 -4.20 0.52 1.35 -1.88 -3.42 112.91 105.98 1x5o h THR 26 Ca 0.00 -0.03 -0.48 0.00 -0.55 0.00 0.00 66.41 65.35 1x5o h THR 26 Cb 0.20 0.60 0.02 0.00 -1.73 0.00 0.00 68.15 67.24 1x5o h THR 26 CO 0.00 0.02 0.38 0.20 -0.25 0.00 0.00 175.52 175.86 1x5o s ASN 27 N -6.00 6.48 -0.04 5.36 -0.87 -1.20 -1.60 114.94 117.07 1x5o s ASN 27 Ca -0.06 1.60 0.01 0.00 -1.57 0.00 0.00 52.86 52.85 1x5o s ASN 27 Cb 0.20 -2.51 0.02 0.00 -0.02 0.00 0.00 41.25 38.95 1x5o s ASN 27 CO 0.75 -0.69 -0.04 -0.76 -2.57 0.00 0.00 177.10 173.79 1x5o s LEU 28 N -4.18 1.34 -0.68 0.60 1.43 -0.96 -4.08 118.68 112.15 1x5o s LEU 28 Ca 0.59 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.31 1x5o s LEU 28 Cb -0.11 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.71 1x5o s LEU 28 CO 0.33 -0.05 1.13 -0.47 0.23 0.00 0.00 176.35 177.52 1x5o s TYR 29 N 0.90 2.49 -0.25 0.29 6.14 -0.37 -3.74 117.35 122.81 1x5o s TYR 29 Ca -0.11 -0.17 -0.04 0.00 0.64 0.00 0.00 57.07 57.39 1x5o s TYR 29 Cb -0.14 -4.45 0.01 0.00 0.42 0.00 0.00 41.96 37.79 1x5o s TYR 29 CO 0.00 -1.82 -0.01 0.42 0.64 0.00 0.00 175.55 174.78 1x5o s ILE 30 N 4.94 3.36 0.28 3.14 1.01 -1.15 -1.96 121.20 130.81 1x5o s ILE 30 Ca 0.31 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1x5o s ILE 30 Cb -0.11 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1x5o s ILE 30 CO 0.15 0.24 0.00 -1.20 0.00 0.00 0.00 174.94 174.12 1x5o n SER 31 N 4.77 2.77 -3.03 3.58 7.64 -0.76 -0.36 113.62 128.23 1x5o n SER 31 Ca -0.16 -2.22 -0.18 0.00 1.01 0.00 0.00 58.87 57.31 1x5o n SER 31 Cb 0.49 0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.95 1x5o n SER 31 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1x5o n ASN 32 N -1.17 -4.70 -4.87 6.43 4.13 0.56 -3.16 115.26 112.48 1x5o n ASN 32 Ca -0.12 -0.46 -0.28 0.00 1.68 0.00 0.00 54.58 55.40 1x5o n ASN 32 Cb 0.35 -4.24 -0.05 0.00 -1.54 0.00 0.00 39.78 34.30 1x5o n ASN 32 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5o s LEU 33 N -6.03 4.10 0.26 3.41 1.43 0.08 -4.66 118.68 117.27 1x5o s LEU 33 Ca 0.36 0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 1x5o s LEU 33 Cb -0.16 -2.71 -0.09 0.00 0.03 0.00 0.00 46.19 43.26 1x5o s LEU 33 CO 0.60 0.11 1.26 -2.16 0.23 0.00 0.00 176.35 176.39 1x5o s PRO 34 N -2.85 4.43 0.53 1.29 0.04 -1.26 -3.95 135.00 133.23 1x5o s PRO 34 Ca 0.33 2.05 0.21 0.00 0.04 0.00 0.00 61.00 63.62 1x5o s PRO 34 Cb -0.12 -3.15 1.35 0.00 0.04 0.00 0.00 34.50 32.62 1x5o s PRO 34 CO 0.26 -0.13 2.08 -0.07 0.04 0.00 0.00 177.00 179.18 1x5o h LEU 35 N 4.41 0.00 -0.01 -3.56 3.38 -1.94 0.24 115.31 117.83 1x5o h LEU 35 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1x5o h LEU 35 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1x5o h LEU 35 CO 0.71 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 178.04 1x5o n SER 36 N -4.43 0.01 -4.75 -0.43 7.64 -1.26 -4.56 113.62 105.84 1x5o n SER 36 Ca 0.03 -1.91 -0.33 0.00 1.01 0.00 0.00 58.87 57.66 1x5o n SER 36 Cb 0.32 -0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.59 1x5o n SER 36 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1x5o s MET 37 N -2.00 2.45 0.02 1.43 0.00 0.83 -5.01 119.30 117.01 1x5o s MET 37 Ca 0.04 1.51 0.01 0.00 0.00 0.00 0.00 55.69 57.25 1x5o s MET 37 Cb 0.02 -1.90 -0.02 0.00 0.00 0.00 0.00 34.83 32.94 1x5o s MET 37 CO 0.03 -1.55 -0.04 0.16 0.00 0.00 0.00 175.02 173.62 1x5o s ASP 38 N -2.45 0.42 0.44 1.11 -4.77 -1.26 -5.02 116.67 105.14 1x5o s ASP 38 Ca 0.69 -0.45 0.31 0.00 -3.30 0.00 0.00 52.55 49.80 1x5o s ASP 38 Cb -0.23 0.06 1.45 0.00 -1.09 0.00 0.00 42.92 43.11 1x5o s ASP 38 CO 0.44 -0.23 1.61 -0.33 0.70 0.00 0.00 175.17 177.37 1x5o h GLU 39 N 4.81 0.06 0.39 2.11 3.07 -1.97 0.34 114.58 123.39 1x5o h GLU 39 Ca -0.32 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 1x5o h GLU 39 Cb 1.21 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1x5o h GLU 39 CO 0.42 0.04 -0.19 0.37 -1.40 0.00 0.00 179.01 178.25 1x5o h GLN 40 N 0.06 -0.51 -0.18 2.33 4.15 -1.97 -3.00 115.11 115.99 1x5o h GLN 40 Ca 0.84 0.03 0.05 0.00 0.77 0.00 0.00 58.65 60.34 1x5o h GLN 40 Cb 2.67 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 30.42 1x5o h GLN 40 CO -0.44 -0.25 -0.14 1.49 -1.93 0.00 0.00 178.83 177.57 1x5o h GLU 41 N -0.70 -0.14 -0.86 1.69 4.81 -0.76 0.26 114.58 118.87 1x5o h GLU 41 Ca -0.05 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.43 1x5o h GLU 41 Cb 0.50 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1x5o h GLU 41 CO 0.09 -0.10 0.78 1.25 -0.73 0.00 0.00 179.01 180.30 1x5o h LEU 42 N -0.15 0.00 0.08 1.64 5.85 -1.33 0.19 115.31 121.58 1x5o h LEU 42 Ca 0.11 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.47 1x5o h LEU 42 Cb 0.31 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1x5o h LEU 42 CO -0.27 0.00 -2.09 1.21 -0.34 0.00 0.00 178.44 176.95 1x5o n GLU 43 N -3.78 0.72 -0.29 1.25 2.13 -0.02 -3.92 120.64 116.73 1x5o n GLU 43 Ca 0.18 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.35 1x5o n GLU 43 Cb 1.07 -1.67 0.36 0.00 0.27 0.00 0.00 31.44 31.48 1x5o n GLU 43 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1x5o h ASN 44 N 0.04 0.69 0.13 4.31 -0.26 0.25 1.25 115.58 121.99 1x5o h ASN 44 Ca -0.45 0.05 -0.15 0.00 -0.56 0.00 0.00 56.30 55.19 1x5o h ASN 44 Cb 2.01 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 39.17 1x5o h ASN 44 CO 0.04 0.34 -0.53 0.00 -1.06 0.00 0.00 177.43 176.22 1x5o h MET 45 N 0.72 0.44 -0.01 0.81 -0.00 -1.49 -2.92 114.93 112.48 1x5o h MET 45 Ca 0.47 -0.27 0.00 0.00 -0.00 0.00 0.00 59.70 59.90 1x5o h MET 45 Cb 0.73 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.36 1x5o h MET 45 CO -0.23 0.86 -0.29 1.28 -0.00 0.00 0.00 176.91 178.53 1x5o n LEU 46 N -3.95 1.20 0.49 -0.10 4.77 0.07 -4.32 117.00 115.16 1x5o n LEU 46 Ca -0.03 -0.35 -0.19 0.00 -0.03 0.00 0.00 56.01 55.41 1x5o n LEU 46 Cb 0.58 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1x5o n LEU 46 CO 0.46 0.22 0.50 0.11 -1.33 0.00 0.00 177.39 177.35 1x5o h LYS 47 N 1.43 -1.22 0.00 3.23 1.57 0.17 -1.31 116.57 120.44 1x5o h LYS 47 Ca 0.00 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1x5o h LYS 47 Cb 0.55 0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1x5o h LYS 47 CO 0.00 -0.81 0.00 -0.35 -0.57 0.00 0.00 179.45 177.72 1x5o n PRO 48 N -5.61 0.49 -0.13 3.15 -0.04 -1.26 -2.62 135.00 128.99 1x5o n PRO 48 Ca -0.16 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.13 1x5o n PRO 48 Cb 0.50 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 1x5o n PRO 48 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x5o n PHE 49 N -0.89 0.00 -4.02 0.54 3.01 -0.99 -5.10 117.46 110.01 1x5o n PHE 49 Ca 0.09 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.58 1x5o n PHE 49 Cb 0.04 -0.98 0.01 0.00 -0.01 0.00 0.00 39.48 38.54 1x5o n PHE 49 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x5o n GLY 50 N 2.24 0.20 3.60 1.37 0.00 -0.53 -4.97 105.19 107.11 1x5o n GLY 50 Ca -0.44 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 1x5o n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5o s GLN 51 N -2.00 3.53 -0.15 1.61 2.00 -1.26 -4.38 119.66 119.01 1x5o s GLN 51 Ca 0.21 0.98 -0.29 0.00 -2.00 0.00 0.00 55.36 54.26 1x5o s GLN 51 Cb -0.00 -4.05 -0.01 0.00 0.80 0.00 0.00 33.01 29.75 1x5o s GLN 51 CO -0.02 -1.62 1.09 0.08 -0.50 0.00 0.00 175.29 174.33 1x5o s VAL 52 N 5.65 4.57 -0.16 1.34 1.01 -1.26 -2.53 120.40 129.02 1x5o s VAL 52 Ca 0.63 1.88 -0.16 0.00 0.00 0.00 0.00 61.98 64.34 1x5o s VAL 52 Cb -0.15 -4.21 -0.13 0.00 0.00 0.00 0.00 36.38 31.90 1x5o s VAL 52 CO 0.33 -0.09 0.18 0.40 0.00 0.00 0.00 175.10 175.92 1x5o h ILE 53 N 5.28 0.68 -2.84 2.22 1.08 -1.66 -3.48 117.51 118.79 1x5o h ILE 53 Ca -0.26 -1.68 -0.10 0.00 -0.39 0.00 0.00 64.86 62.42 1x5o h ILE 53 Cb 1.11 1.46 -0.20 0.00 -3.07 0.00 0.00 36.82 36.12 1x5o h ILE 53 CO 0.92 0.23 -0.17 -0.94 -0.69 0.00 0.00 178.15 177.50 1x5o s SER 54 N -6.19 -0.29 -0.00 1.72 1.04 -1.21 -5.00 113.70 103.77 1x5o s SER 54 Ca -0.18 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.46 1x5o s SER 54 Cb 0.02 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 1x5o s SER 54 CO 0.41 -0.50 -0.05 0.42 0.98 0.00 0.00 173.24 174.50 1x5o s THR 55 N -1.41 0.40 -0.00 2.02 -4.23 -1.26 -0.58 115.64 110.58 1x5o s THR 55 Ca -0.12 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.09 1x5o s THR 55 Cb -0.04 -0.35 -0.00 0.00 1.34 0.00 0.00 72.50 73.45 1x5o s THR 55 CO 0.05 0.08 0.07 -0.60 -0.54 0.00 0.00 174.62 173.68 1x5o s ARG 56 N -0.20 0.34 -0.15 3.99 3.52 0.07 -5.00 118.95 121.53 1x5o s ARG 56 Ca 0.01 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1x5o s ARG 56 Cb -0.02 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.53 1x5o s ARG 56 CO -0.00 -0.07 -0.13 0.42 -0.81 0.00 0.00 175.30 174.71 1x5o s ILE 57 N -1.09 1.49 0.48 4.11 -1.09 -1.26 0.18 121.20 124.03 1x5o s ILE 57 Ca -0.12 -0.61 -0.24 0.00 -2.23 0.00 0.00 60.65 57.45 1x5o s ILE 57 Cb -0.07 -1.43 -0.07 0.00 -1.58 0.00 0.00 42.46 39.30 1x5o s ILE 57 CO 0.00 0.42 1.40 0.18 -1.23 0.00 0.00 174.94 175.71 1x5o n LEU 58 N 4.79 5.14 -4.19 2.97 4.77 -0.69 -4.95 117.00 124.85 1x5o n LEU 58 Ca -0.16 1.08 -0.22 0.00 -0.03 0.00 0.00 56.01 56.68 1x5o n LEU 58 Cb 0.50 -1.59 -0.13 0.00 -2.33 0.00 0.00 43.42 39.87 1x5o n LEU 58 CO 0.21 -0.33 -0.48 -0.13 -1.33 0.00 0.00 177.39 175.33 1x5o s ARG 59 N -2.55 1.05 1.27 3.23 0.52 -1.26 -2.16 118.95 119.04 1x5o s ARG 59 Ca 0.64 -0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 54.78 1x5o s ARG 59 Cb -0.44 -1.11 0.32 0.00 0.52 0.00 0.00 34.95 34.24 1x5o s ARG 59 CO 0.55 0.27 1.10 0.34 0.02 0.00 0.00 175.30 177.58 1x5o s ASP 60 N -1.28 0.34 0.00 0.23 2.15 1.00 -4.79 116.67 114.31 1x5o s ASP 60 Ca 0.03 0.52 0.12 0.00 0.43 0.00 0.00 52.55 53.65 1x5o s ASP 60 Cb -0.08 -0.66 0.63 0.00 -0.30 0.00 0.00 42.92 42.51 1x5o s ASP 60 CO 0.02 -4.47 1.29 -1.54 -0.17 0.00 0.00 175.17 170.30 1x5o n SER 61 N -4.98 0.00 -0.00 -0.34 3.41 -1.26 -1.68 113.62 108.77 1x5o n SER 61 Ca 0.15 0.06 0.06 0.00 -0.26 0.00 0.00 58.87 58.88 1x5o n SER 61 Cb 0.60 -0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 1x5o n SER 61 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5o n SER 62 N -1.26 1.71 0.00 4.04 7.64 -1.26 -5.00 113.62 119.49 1x5o n SER 62 Ca 0.06 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1x5o n SER 62 Cb 0.09 1.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 1x5o n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5o n GLY 63 N 1.64 1.67 3.36 0.23 0.00 -0.68 -5.11 105.19 106.31 1x5o n GLY 63 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1x5o n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5o s THR 64 N -2.00 3.20 0.46 2.61 2.01 -1.26 -4.76 115.64 115.90 1x5o s THR 64 Ca 0.00 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.21 1x5o s THR 64 Cb 0.00 -2.38 -0.15 0.00 0.01 0.00 0.00 72.50 69.98 1x5o s THR 64 CO 0.00 0.50 -0.01 -0.24 -0.69 0.00 0.00 174.62 174.18 1x5o n SER 65 N 3.87 -3.21 -0.90 3.53 2.88 -1.26 -0.00 113.62 118.52 1x5o n SER 65 Ca -0.18 0.73 0.07 0.00 -1.33 0.00 0.00 58.87 58.16 1x5o n SER 65 Cb 0.52 -0.88 0.25 0.00 -0.75 0.00 0.00 64.21 63.36 1x5o n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x5o n ARG 66 N 1.38 2.79 -2.05 -1.46 1.74 -0.92 -4.63 116.66 113.52 1x5o n ARG 66 Ca 0.10 -2.87 -0.14 0.00 -0.77 0.00 0.00 57.85 54.17 1x5o n ARG 66 Cb 0.44 -1.84 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 1x5o n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x5o n GLY 67 N -0.59 0.20 2.83 -0.13 0.00 -1.25 -4.85 105.19 101.39 1x5o n GLY 67 Ca 0.22 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1x5o n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5o s VAL 68 N -2.65 -0.02 -0.00 1.61 1.01 -1.26 -0.32 120.40 118.77 1x5o s VAL 68 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1x5o s VAL 68 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 36.38 36.33 1x5o s VAL 68 CO 0.00 0.04 -0.01 -0.83 0.00 0.00 0.00 175.10 174.30 1x5o s GLY 69 N 0.47 0.10 -0.26 4.51 0.00 0.52 -1.70 107.32 110.96 1x5o s GLY 69 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.58 1x5o s GLY 69 CO -0.01 0.04 0.06 -1.36 0.00 0.00 0.00 173.10 171.83 1x5o s PHE 70 N 0.11 3.09 -0.09 1.90 0.08 0.13 -2.92 117.98 120.28 1x5o s PHE 70 Ca -0.01 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.47 1x5o s PHE 70 Cb -0.02 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1x5o s PHE 70 CO -0.00 -0.43 -0.18 0.00 -0.10 0.00 0.00 175.22 174.51 1x5o s ALA 71 N 1.58 2.46 -0.45 5.36 0.00 -1.24 -0.75 121.76 128.72 1x5o s ALA 71 Ca 0.05 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 1x5o s ALA 71 Cb -0.16 -0.96 0.06 0.00 0.00 0.00 0.00 23.12 22.07 1x5o s ALA 71 CO 0.03 0.38 0.34 0.50 0.00 0.00 0.00 175.76 177.01 1x5o s ARG 72 N -0.08 2.91 0.49 0.00 3.52 0.25 -2.27 118.95 123.77 1x5o s ARG 72 Ca -0.04 -1.30 -0.19 0.00 -0.13 0.00 0.00 55.73 54.07 1x5o s ARG 72 Cb -0.14 -4.02 -0.08 0.00 -1.56 0.00 0.00 34.95 29.14 1x5o s ARG 72 CO 0.04 -0.95 1.01 -1.64 -0.81 0.00 0.00 175.30 172.95 1x5o s MET 73 N 1.61 3.87 0.50 5.12 -1.94 -0.63 -1.75 119.30 126.09 1x5o s MET 73 Ca 0.04 1.19 0.33 0.00 -1.71 0.00 0.00 55.69 55.54 1x5o s MET 73 Cb -0.23 -2.12 1.46 0.00 2.01 0.00 0.00 34.83 35.96 1x5o s MET 73 CO 0.06 -0.35 1.76 1.05 -0.01 0.00 0.00 175.02 177.54 1x5o h GLU 74 N 1.35 0.09 0.00 2.03 -0.00 -1.82 -3.45 114.58 112.78 1x5o h GLU 74 Ca -0.48 -0.01 0.16 0.00 -0.00 0.00 0.00 59.36 59.03 1x5o h GLU 74 Cb 1.20 -0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 29.90 1x5o h GLU 74 CO 0.60 0.06 0.51 0.45 -0.00 0.00 0.00 179.01 180.63 1x5o n SER 75 N -4.30 -1.16 -0.06 3.06 2.88 -1.26 -5.05 113.62 107.74 1x5o n SER 75 Ca 0.28 -1.52 -0.14 0.00 -1.33 0.00 0.00 58.87 56.16 1x5o n SER 75 Cb 1.25 1.86 -0.07 0.00 -0.75 0.00 0.00 64.21 66.50 1x5o n SER 75 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1x5o h THR 76 N 1.73 1.34 -1.10 2.46 2.02 -1.89 -2.99 112.91 114.49 1x5o h THR 76 Ca -0.19 -1.56 0.42 0.00 0.77 0.00 0.00 66.41 65.85 1x5o h THR 76 Cb 0.88 1.91 -0.15 0.00 -1.74 0.00 0.00 68.15 69.05 1x5o h THR 76 CO 0.26 0.47 0.65 1.21 0.37 0.00 0.00 175.52 178.48 1x5o n GLU 77 N -4.34 -0.05 -0.07 6.66 2.13 -1.26 0.13 120.64 123.85 1x5o n GLU 77 Ca -0.06 1.24 -0.16 0.00 0.66 0.00 0.00 57.16 58.84 1x5o n GLU 77 Cb 0.49 -2.32 -0.13 0.00 0.27 0.00 0.00 31.44 29.75 1x5o n GLU 77 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1x5o h LYS 78 N 0.00 0.02 -0.96 5.31 1.79 -1.95 -3.36 116.57 117.43 1x5o h LYS 78 Ca 0.81 -0.04 0.20 0.00 -2.18 0.00 0.00 60.65 59.44 1x5o h LYS 78 Cb 2.36 0.02 -0.18 0.00 -1.58 0.00 0.00 32.23 32.84 1x5o h LYS 78 CO -0.59 1.02 -0.21 0.00 -1.08 0.00 0.00 179.45 178.59 1x5o h GLU 80 N 0.00 0.02 -0.24 0.00 5.08 -1.50 -1.00 114.58 116.93 1x5o h GLU 80 Ca 0.48 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.88 1x5o h GLU 80 Cb 0.76 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1x5o h GLU 80 CO -0.98 0.01 -0.04 0.00 -1.00 0.00 0.00 179.01 177.01 1x5o h ALA 81 N 1.54 0.18 0.14 3.43 0.00 -0.02 -1.30 119.26 123.24 1x5o h ALA 81 Ca 0.27 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1x5o h ALA 81 Cb 0.41 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1x5o h ALA 81 CO -0.55 -0.45 -0.15 0.28 0.00 0.00 0.00 179.25 178.38 1x5o h VAL 82 N 0.03 0.00 -0.71 0.00 2.07 -0.76 -0.38 116.25 116.50 1x5o h VAL 82 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.73 1x5o h VAL 82 Cb 0.17 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.82 1x5o h VAL 82 CO -0.23 0.00 -0.46 0.40 0.02 0.00 0.00 177.57 177.30 1x5o h ILE 83 N -0.29 0.05 -0.74 4.57 2.04 -1.22 1.62 117.51 123.54 1x5o h ILE 83 Ca -0.02 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.01 1x5o h ILE 83 Cb 0.25 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1x5o h ILE 83 CO -0.02 0.00 0.51 1.23 0.00 0.00 0.00 178.15 179.87 1x5o h GLY 84 N -0.16 0.49 0.00 5.37 0.00 -1.15 -0.16 103.07 107.46 1x5o h GLY 84 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1x5o h GLY 84 CO -0.78 0.03 0.00 1.42 0.00 0.00 0.00 176.54 177.21 1x5o n HIS 85 N -4.44 0.00 -0.33 5.60 8.25 0.18 -4.48 115.22 120.01 1x5o n HIS 85 Ca 0.15 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.69 1x5o n HIS 85 Cb 0.63 -0.17 0.17 0.00 1.12 0.00 0.00 29.99 31.74 1x5o n HIS 85 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1x5o n PHE 86 N -1.97 0.41 -1.50 4.41 3.01 0.50 -4.24 117.46 118.08 1x5o n PHE 86 Ca 0.00 1.12 -0.34 0.00 1.01 0.00 0.00 57.45 59.24 1x5o n PHE 86 Cb 0.00 -1.08 -0.18 0.00 -0.01 0.00 0.00 39.48 38.21 1x5o n PHE 86 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1x5o n ASN 87 N -5.46 -0.35 -0.10 4.37 2.85 -0.07 0.23 115.26 116.74 1x5o n ASN 87 Ca 0.17 -0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1x5o n ASN 87 Cb 0.53 -0.78 0.00 0.00 1.24 0.00 0.00 39.78 40.77 1x5o n ASN 87 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5o n GLY 88 N 6.14 0.90 3.45 8.20 0.00 -1.09 -4.98 105.19 117.81 1x5o n GLY 88 Ca 0.67 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1x5o n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5o s LYS 89 N -3.18 1.93 -0.36 1.61 2.47 0.64 -4.85 119.74 118.00 1x5o s LYS 89 Ca 0.00 -1.07 -0.05 0.00 -1.56 0.00 0.00 55.97 53.30 1x5o s LYS 89 Cb 0.00 -2.13 0.07 0.00 -1.46 0.00 0.00 37.83 34.30 1x5o s LYS 89 CO 0.00 0.52 0.12 -0.06 0.16 0.00 0.00 175.35 176.09 1x5o s PHE 90 N -0.98 3.35 0.94 4.03 0.40 -1.26 -1.99 117.98 122.46 1x5o s PHE 90 Ca 0.15 -1.81 -0.14 0.00 -0.60 0.00 0.00 56.93 54.54 1x5o s PHE 90 Cb -0.10 -2.57 0.16 0.00 0.51 0.00 0.00 43.02 41.02 1x5o s PHE 90 CO 0.06 -0.83 1.19 0.96 0.70 0.00 0.00 175.22 177.30 1x5o s ILE 91 N 1.30 1.95 0.58 0.64 -4.36 -1.26 -5.09 121.20 114.96 1x5o s ILE 91 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 60.65 60.48 1x5o s ILE 91 Cb -0.21 -2.83 0.08 0.00 1.25 0.00 0.00 42.46 40.76 1x5o s ILE 91 CO -0.00 0.00 0.69 2.29 0.24 0.00 0.00 174.94 178.16 1x5o n LYS 92 N -3.81 0.62 -4.16 0.37 2.85 -1.26 -4.82 118.16 107.95 1x5o n LYS 92 Ca 0.10 -3.28 -0.13 0.00 -1.05 0.00 0.00 58.31 53.96 1x5o n LYS 92 Cb 0.60 -0.05 -0.11 0.00 -0.65 0.00 0.00 35.03 34.82 1x5o n LYS 92 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1x5o s THR 93 N -2.69 0.80 0.99 0.58 -4.23 -1.26 -5.01 115.64 104.82 1x5o s THR 93 Ca 0.52 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 59.20 1x5o s THR 93 Cb -0.04 -1.41 0.18 0.00 1.34 0.00 0.00 72.50 72.57 1x5o s THR 93 CO 0.33 -0.67 1.09 -2.16 -0.54 0.00 0.00 174.62 172.67 1x5o s PRO 94 N -3.09 0.49 -0.56 3.99 0.04 -1.26 -4.92 135.00 129.69 1x5o s PRO 94 Ca 0.07 0.55 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 1x5o s PRO 94 Cb -0.00 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 1x5o s PRO 94 CO -0.02 -2.70 1.83 -1.25 0.04 0.00 0.00 177.00 174.90 1x5o s PRO 95 N -4.96 2.79 0.00 0.56 0.04 -1.26 -2.67 135.00 129.51 1x5o s PRO 95 Ca 0.65 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1x5o s PRO 95 Cb -0.19 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.02 1x5o s PRO 95 CO 0.58 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.49 1x5o n GLY 96 N 5.62 0.31 3.22 0.56 0.00 -1.26 -5.14 105.19 108.51 1x5o n GLY 96 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 1x5o n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5o s VAL 97 N -1.13 1.29 -0.19 1.61 1.01 -1.09 -5.13 120.40 116.78 1x5o s VAL 97 Ca 0.00 -1.57 -0.21 0.00 0.00 0.00 0.00 61.98 60.20 1x5o s VAL 97 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1x5o s VAL 97 CO 0.00 -0.33 0.63 -0.94 0.00 0.00 0.00 175.10 174.46 1x5o s SER 98 N -2.17 6.70 0.39 3.32 1.04 -1.26 -4.81 113.70 116.91 1x5o s SER 98 Ca 0.05 0.85 -0.27 0.00 0.48 0.00 0.00 55.95 57.07 1x5o s SER 98 Cb -0.07 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.61 1x5o s SER 98 CO 0.03 -0.25 1.31 0.00 0.98 0.00 0.00 173.24 175.31 1x5o s ALA 99 N 1.80 3.33 0.90 5.32 0.00 -1.26 -4.90 121.76 126.95 1x5o s ALA 99 Ca 0.29 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.40 1x5o s ALA 99 Cb -0.16 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.60 1x5o s ALA 99 CO 0.11 -0.80 1.09 -1.25 0.00 0.00 0.00 175.76 174.91 1x5o s PRO 100 N -2.14 1.19 -0.09 0.00 0.04 -1.26 -5.01 135.00 127.73 1x5o s PRO 100 Ca 0.55 0.80 0.10 0.00 0.04 0.00 0.00 61.00 62.49 1x5o s PRO 100 Cb -0.39 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 1x5o s PRO 100 CO 0.51 -2.28 0.08 0.25 0.04 0.00 0.00 177.00 175.59 1x5o n THR 101 N -3.91 0.59 -3.16 1.26 -2.24 -1.26 -5.01 114.28 100.55 1x5o n THR 101 Ca 0.07 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 1x5o n THR 101 Cb 0.55 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 1x5o n THR 101 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x5o s GLU 102 N -2.36 3.79 0.21 -0.78 2.02 -1.26 -5.09 118.70 115.23 1x5o s GLU 102 Ca -0.05 0.35 -0.03 0.00 0.02 0.00 0.00 54.97 55.26 1x5o s GLU 102 Cb 0.04 -2.52 0.05 0.00 0.10 0.00 0.00 34.13 31.80 1x5o s GLU 102 CO 0.44 0.15 0.18 -0.35 0.02 0.00 0.00 175.26 175.70 1x5o n PRO 103 N -0.74 -1.38 -3.87 0.39 -0.04 -1.26 -4.92 135.00 123.18 1x5o n PRO 103 Ca 0.01 -0.29 -0.36 0.00 -0.04 0.00 0.00 63.50 62.82 1x5o n PRO 103 Cb 0.53 -0.28 -0.13 0.00 -0.04 0.00 0.00 33.50 33.58 1x5o n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x5o s LEU 104 N 0.00 3.69 -0.33 1.53 1.43 -0.84 -4.68 118.68 119.48 1x5o s LEU 104 Ca 0.12 -0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 52.01 1x5o s LEU 104 Cb -0.01 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1x5o s LEU 104 CO 0.09 -0.20 0.82 -0.22 0.23 0.00 0.00 176.35 177.07 1x5o s LEU 105 N 1.36 4.07 -0.06 1.79 2.96 -1.19 -2.67 118.68 124.95 1x5o s LEU 105 Ca -0.01 0.62 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 1x5o s LEU 105 Cb -0.18 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 1x5o s LEU 105 CO -0.01 -0.68 -0.16 0.00 -1.32 0.00 0.00 176.35 174.17 1x5o s LYS 107 N -0.52 0.78 -0.48 0.00 -2.85 -0.83 -4.89 119.74 110.95 1x5o s LYS 107 Ca 0.07 1.07 -0.29 0.00 -1.00 0.00 0.00 55.97 55.81 1x5o s LYS 107 Cb -0.12 0.30 -0.10 0.00 -2.06 0.00 0.00 37.83 35.86 1x5o s LYS 107 CO 0.01 -0.12 2.37 1.19 0.10 0.00 0.00 175.35 178.90 1x5o n PHE 108 N 3.29 1.45 0.00 1.78 3.72 -1.26 -1.24 117.46 125.19 1x5o n PHE 108 Ca -0.16 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1x5o n PHE 108 Cb 0.56 -2.59 0.00 0.00 -0.94 0.00 0.00 39.48 36.51 1x5o n PHE 108 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x5o n SER 109 N 12.89 0.00 0.00 4.37 2.88 -1.26 -4.88 113.62 127.62 1x5o n SER 109 Ca 0.41 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1x5o n SER 109 Cb 0.38 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1x5o n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5o n GLY 110 N -0.88 -1.46 0.23 0.46 0.00 -1.26 -4.24 105.19 98.05 1x5o n GLY 110 Ca 0.00 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.49 1x5o n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5o h PRO 111 N 0.00 0.00 -6.88 1.61 0.13 -1.85 -3.45 132.00 121.56 1x5o h PRO 111 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1x5o h PRO 111 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1x5o h PRO 111 CO 0.00 0.20 0.13 -1.12 -0.23 0.00 0.00 178.00 176.98 1x5o s SER 112 N -6.18 6.47 0.01 1.44 0.01 -1.26 -5.01 113.70 109.18 1x5o s SER 112 Ca -0.00 1.11 -0.27 0.00 1.31 0.00 0.00 55.95 58.10 1x5o s SER 112 Cb 0.11 -2.32 0.07 0.00 0.21 0.00 0.00 66.02 64.09 1x5o s SER 112 CO 0.62 -0.45 0.62 -0.55 0.41 0.00 0.00 173.24 173.90 1x5o s SER 113 N -3.36 -0.59 0.00 2.44 0.15 -1.26 -4.91 113.70 106.18 1x5o s SER 113 Ca 0.51 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1x5o s SER 113 Cb -0.10 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1x5o s SER 113 CO 0.34 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.69