#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4y s SER 2 N 0.00 5.61 -0.19 1.61 1.04 -1.26 -5.11 113.70 115.40 1x4y s SER 2 Ca 0.00 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.99 1x4y s SER 2 Cb 0.00 -0.65 0.04 0.00 0.10 0.00 0.00 66.02 65.51 1x4y s SER 2 CO 0.00 -0.75 -0.13 -0.55 0.98 0.00 0.00 173.24 172.78 1x4y s SER 3 N -4.33 3.30 0.00 7.02 0.15 -1.26 -4.89 113.70 113.68 1x4y s SER 3 Ca 0.54 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1x4y s SER 3 Cb -0.09 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1x4y s SER 3 CO 0.33 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.28 1x4y n GLY 4 N 4.66 -1.46 2.90 9.45 0.00 -1.26 -5.10 105.19 114.38 1x4y n GLY 4 Ca -0.16 0.52 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 1x4y n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4y s SER 5 N -1.73 3.43 0.44 1.61 0.01 -1.26 -5.13 113.70 111.07 1x4y s SER 5 Ca 0.00 -0.98 -0.00 0.00 1.31 0.00 0.00 55.95 56.28 1x4y s SER 5 Cb 0.00 -1.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.19 1x4y s SER 5 CO 0.00 -0.23 0.67 -0.55 0.41 0.00 0.00 173.24 173.54 1x4y s SER 6 N 1.53 5.95 0.00 2.44 0.15 -1.26 -4.99 113.70 117.52 1x4y s SER 6 Ca -0.03 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1x4y s SER 6 Cb -0.18 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1x4y s SER 6 CO -0.07 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.35 1x4y n GLY 7 N -2.06 -3.07 3.57 9.45 0.00 -1.26 -3.98 105.19 107.84 1x4y n GLY 7 Ca 0.00 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1x4y n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 8 N -0.86 3.01 -0.18 1.61 0.04 -1.26 -4.84 135.00 132.52 1x4y s PRO 8 Ca 0.00 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 61.85 1x4y s PRO 8 Cb 0.00 -4.27 -0.21 0.00 0.04 0.00 0.00 34.50 30.06 1x4y s PRO 8 CO 0.00 -2.26 0.21 1.33 0.04 0.00 0.00 177.00 176.33 1x4y n VAL 9 N 7.27 1.63 -0.26 -0.36 0.24 -1.26 -3.53 118.33 122.05 1x4y n VAL 9 Ca 0.21 -0.31 0.25 0.00 -2.04 0.00 0.00 64.34 62.45 1x4y n VAL 9 Cb 0.50 -1.89 0.46 0.00 -1.47 0.00 0.00 33.84 31.44 1x4y n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4y n ALA 10 N -3.32 0.83 -1.60 2.33 0.00 -1.26 -3.10 120.51 114.38 1x4y n ALA 10 Ca -0.34 0.78 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1x4y n ALA 10 Cb 0.85 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1x4y n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4y n GLY 11 N -1.22 -4.14 3.74 0.00 0.00 -1.26 -4.82 105.19 97.48 1x4y n GLY 11 Ca 0.30 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1x4y n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 12 N -5.35 1.63 -0.08 1.61 0.04 -1.26 -4.75 135.00 126.83 1x4y s PRO 12 Ca 0.00 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 61.98 1x4y s PRO 12 Cb 0.00 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1x4y s PRO 12 CO 0.00 -2.02 -0.02 -0.47 0.04 0.00 0.00 177.00 174.53 1x4y s TYR 13 N -2.92 0.87 -0.04 0.56 5.04 -0.95 -4.48 117.35 115.42 1x4y s TYR 13 Ca 0.63 -0.31 -0.30 0.00 -2.44 0.00 0.00 57.07 54.65 1x4y s TYR 13 Cb -0.18 -0.90 -0.05 0.00 0.35 0.00 0.00 41.96 41.18 1x4y s TYR 13 CO 0.57 -0.37 1.42 0.42 -1.34 0.00 0.00 175.55 176.25 1x4y s ILE 14 N 1.86 3.79 0.00 3.14 1.01 -1.26 -1.39 121.20 128.34 1x4y s ILE 14 Ca 0.04 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.79 1x4y s ILE 14 Cb -0.12 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1x4y s ILE 14 CO -0.06 -0.04 0.91 0.35 0.00 0.00 0.00 174.94 176.11 1x4y n THR 15 N 4.93 0.82 -3.67 2.92 -2.24 -1.01 -4.97 114.28 111.06 1x4y n THR 15 Ca 0.14 -0.84 -0.09 0.00 -2.27 0.00 0.00 64.05 60.99 1x4y n THR 15 Cb 0.44 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.16 1x4y n THR 15 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x4y s PHE 16 N -0.82 -0.73 -0.20 4.78 5.36 -1.13 -4.98 117.98 120.25 1x4y s PHE 16 Ca 0.00 1.45 -0.04 0.00 -0.96 0.00 0.00 56.93 57.38 1x4y s PHE 16 Cb 0.00 0.30 0.09 0.00 -0.34 0.00 0.00 43.02 43.07 1x4y s PHE 16 CO 0.00 -0.43 0.22 0.95 -1.46 0.00 0.00 175.22 174.50 1x4y s THR 17 N 2.09 -0.32 0.05 0.12 -4.23 -1.26 -1.77 115.64 110.33 1x4y s THR 17 Ca -0.05 -0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.32 1x4y s THR 17 Cb -0.10 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 1x4y s THR 17 CO -0.13 -0.21 -0.01 -0.62 -0.54 0.00 0.00 174.62 173.11 1x4y s ASP 18 N 2.32 0.44 -0.38 3.99 2.15 -0.36 -4.93 116.67 119.91 1x4y s ASP 18 Ca 0.07 -0.95 -0.13 0.00 0.43 0.00 0.00 52.55 51.97 1x4y s ASP 18 Cb -0.16 0.21 0.01 0.00 -0.30 0.00 0.00 42.92 42.69 1x4y s ASP 18 CO -0.12 -0.60 0.25 0.00 -0.17 0.00 0.00 175.17 174.52 1x4y s ALA 19 N -3.83 3.40 0.31 3.66 0.00 -1.26 0.05 121.76 124.09 1x4y s ALA 19 Ca 0.06 -1.62 0.13 0.00 0.00 0.00 0.00 51.96 50.53 1x4y s ALA 19 Cb 0.07 -2.71 0.61 0.00 0.00 0.00 0.00 23.12 21.10 1x4y s ALA 19 CO -0.10 -1.28 1.75 0.28 0.00 0.00 0.00 175.76 176.41 1x4y h VAL 20 N 5.68 1.26 -2.58 0.00 2.07 -1.65 -3.46 116.25 117.57 1x4y h VAL 20 Ca -0.28 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 1x4y h VAL 20 Cb 1.13 1.87 0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1x4y h VAL 20 CO 0.68 0.44 0.17 0.59 0.02 0.00 0.00 177.57 179.48 1x4y n ASN 21 N -3.91 -1.38 0.29 0.57 3.02 -0.69 -4.92 115.26 108.25 1x4y n ASN 21 Ca -0.01 -1.95 0.18 0.00 -0.03 0.00 0.00 54.58 52.77 1x4y n ASN 21 Cb 0.49 2.29 0.78 0.00 -0.61 0.00 0.00 39.78 42.74 1x4y n ASN 21 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1x4y h GLU 22 N 0.00 0.00 0.00 3.52 9.09 -1.88 -2.97 114.58 122.35 1x4y h GLU 22 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.21 1x4y h GLU 22 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 1x4y h GLU 22 CO 0.26 0.02 -0.10 0.25 0.05 0.00 0.00 179.01 179.48 1x4y n THR 23 N -3.14 0.68 -4.21 -1.06 -2.24 -1.26 -2.65 114.28 100.40 1x4y n THR 23 Ca -0.00 -0.76 -0.17 0.00 -2.27 0.00 0.00 64.05 60.84 1x4y n THR 23 Cb 0.26 0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 68.86 1x4y n THR 23 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x4y s THR 24 N -0.89 0.89 -0.05 4.28 2.01 -1.13 -2.15 115.64 118.59 1x4y s THR 24 Ca 0.07 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 1x4y s THR 24 Cb 0.06 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1x4y s THR 24 CO 0.01 -0.15 0.12 -0.63 -0.69 0.00 0.00 174.62 173.27 1x4y s ILE 25 N -1.04 -0.02 -0.21 1.82 1.01 -0.16 -1.70 121.20 120.90 1x4y s ILE 25 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 1x4y s ILE 25 Cb -0.08 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.19 1x4y s ILE 25 CO 0.01 0.03 -0.06 -0.32 0.00 0.00 0.00 174.94 174.60 1x4y s MET 26 N 0.52 3.36 -0.02 2.79 -2.45 0.11 -0.01 119.30 123.60 1x4y s MET 26 Ca -0.04 -0.64 0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1x4y s MET 26 Cb -0.05 -2.94 -0.00 0.00 1.25 0.00 0.00 34.83 33.09 1x4y s MET 26 CO -0.02 -0.15 -0.09 -0.48 1.05 0.00 0.00 175.02 175.33 1x4y s LEU 27 N 1.34 1.86 -0.05 4.11 2.34 -1.09 -1.22 118.68 125.97 1x4y s LEU 27 Ca 0.04 -0.17 0.06 0.00 0.06 0.00 0.00 54.13 54.12 1x4y s LEU 27 Cb -0.14 -0.51 -0.02 0.00 -0.56 0.00 0.00 46.19 44.96 1x4y s LEU 27 CO -0.03 0.08 -0.24 -0.54 -1.06 0.00 0.00 176.35 174.56 1x4y s LYS 28 N 0.06 2.41 0.28 1.48 1.02 -0.73 -2.85 119.74 121.41 1x4y s LYS 28 Ca -0.01 -0.88 0.10 0.00 0.02 0.00 0.00 55.97 55.20 1x4y s LYS 28 Cb -0.07 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1x4y s LYS 28 CO 0.00 0.47 -0.02 1.67 -0.92 0.00 0.00 175.35 176.55 1x4y s TRP 29 N -0.37 2.63 0.28 3.18 -2.14 -1.00 -2.41 118.94 119.11 1x4y s TRP 29 Ca 0.03 -0.26 0.12 0.00 2.66 0.00 0.00 56.10 58.64 1x4y s TRP 29 Cb -0.12 -1.21 -0.05 0.00 -3.10 0.00 0.00 33.47 28.99 1x4y s TRP 29 CO 0.02 0.61 -0.17 0.00 -2.66 0.00 0.00 176.95 174.74 1x4y s MET 30 N -3.67 1.75 -0.11 3.25 0.23 -0.49 -4.84 119.30 115.43 1x4y s MET 30 Ca 0.32 -1.74 0.03 0.00 -1.03 0.00 0.00 55.69 53.27 1x4y s MET 30 Cb -0.06 -1.81 0.00 0.00 -1.53 0.00 0.00 34.83 31.44 1x4y s MET 30 CO 0.19 0.32 -0.22 -0.47 -2.03 0.00 0.00 175.02 172.82 1x4y s TYR 31 N -2.50 2.45 -0.61 3.16 5.04 -1.26 -2.25 117.35 121.39 1x4y s TYR 31 Ca 0.30 -1.06 -0.11 0.00 -2.44 0.00 0.00 57.07 53.76 1x4y s TYR 31 Cb -0.05 -1.66 0.16 0.00 0.35 0.00 0.00 41.96 40.76 1x4y s TYR 31 CO 0.16 -0.45 0.51 0.42 -1.34 0.00 0.00 175.55 174.84 1x4y s ILE 32 N 0.51 4.77 0.24 3.14 1.09 -1.26 -4.92 121.20 124.77 1x4y s ILE 32 Ca -0.15 -2.06 0.01 0.00 -1.10 0.00 0.00 60.65 57.34 1x4y s ILE 32 Cb -0.17 -4.05 -0.00 0.00 -1.06 0.00 0.00 42.46 37.17 1x4y s ILE 32 CO 0.05 -0.88 1.60 1.55 -0.10 0.00 0.00 174.94 177.16 1x4y h PRO 33 N 8.18 0.46 -0.35 2.79 0.13 -1.98 -3.33 132.00 137.90 1x4y h PRO 33 Ca -0.12 -0.24 0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1x4y h PRO 33 Cb 1.05 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1x4y h PRO 33 CO 0.86 0.82 -0.21 0.00 -0.23 0.00 0.00 178.00 179.23 1x4y n ALA 34 N -2.50 -0.23 -1.09 -0.56 0.00 -1.26 0.63 120.51 115.51 1x4y n ALA 34 Ca -0.02 0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.50 1x4y n ALA 34 Cb 0.53 0.19 0.03 0.00 0.00 0.00 0.00 19.45 20.20 1x4y n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x4y n SER 35 N -3.77 6.76 -4.51 0.00 2.88 -1.25 -4.91 113.62 108.82 1x4y n SER 35 Ca 0.01 -3.25 -0.24 0.00 -1.33 0.00 0.00 58.87 54.05 1x4y n SER 35 Cb 0.09 -1.07 -0.10 0.00 -0.75 0.00 0.00 64.21 62.39 1x4y n SER 35 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1x4y s ASN 36 N -0.25 3.78 -0.43 -3.46 3.04 0.20 -4.52 114.94 113.30 1x4y s ASN 36 Ca 0.42 -0.98 0.02 0.00 0.04 0.00 0.00 52.86 52.37 1x4y s ASN 36 Cb 0.32 -0.40 0.54 0.00 -1.54 0.00 0.00 41.25 40.17 1x4y s ASN 36 CO -0.04 0.00 1.85 0.59 -3.04 0.00 0.00 177.10 176.46 1x4y n ASN 37 N -0.69 4.50 -4.14 -4.21 4.13 -1.26 -4.89 115.26 108.70 1x4y n ASN 37 Ca -0.05 -3.44 -0.33 0.00 1.68 0.00 0.00 54.58 52.44 1x4y n ASN 37 Cb 0.60 -0.84 -0.08 0.00 -1.54 0.00 0.00 39.78 37.92 1x4y n ASN 37 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1x4y n ASN 38 N -0.86 -0.42 -4.85 6.41 5.15 -1.26 -4.89 115.26 114.55 1x4y n ASN 38 Ca 0.53 -1.11 -0.36 0.00 -0.60 0.00 0.00 54.58 53.03 1x4y n ASN 38 Cb 1.32 -1.40 -0.06 0.00 -0.53 0.00 0.00 39.78 39.11 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1x4y s THR 39 N -3.58 5.31 0.25 -0.44 -1.32 -1.26 -5.08 115.64 109.52 1x4y s THR 39 Ca 0.38 0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.66 1x4y s THR 39 Cb -0.22 -3.32 -0.09 0.00 -1.51 0.00 0.00 72.50 67.36 1x4y s THR 39 CO 0.89 0.59 1.27 -2.16 -2.21 0.00 0.00 174.62 173.00 1x4y s PRO 40 N -1.09 4.43 -0.10 7.08 0.04 -1.26 -4.97 135.00 139.13 1x4y s PRO 40 Ca 0.16 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 1x4y s PRO 40 Cb -0.12 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1x4y s PRO 40 CO 0.05 -0.15 0.12 0.42 0.04 0.00 0.00 177.00 177.49 1x4y s ILE 41 N -0.46 5.31 0.09 0.56 1.01 -1.26 -4.64 121.20 121.81 1x4y s ILE 41 Ca 0.52 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 61.11 1x4y s ILE 41 Cb -0.36 -3.33 -0.14 0.00 0.01 0.00 0.00 42.46 38.64 1x4y s ILE 41 CO 0.43 0.57 1.32 0.45 0.00 0.00 0.00 174.94 177.71 1x4y h HIS 42 N 4.84 0.93 0.00 3.97 3.86 -1.53 -3.43 115.15 123.79 1x4y h HIS 42 Ca -0.54 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.30 1x4y h HIS 42 Cb 1.22 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1x4y h HIS 42 CO 0.73 1.17 0.00 0.41 0.86 0.00 0.00 177.93 181.10 1x4y n GLY 43 N 0.55 1.87 3.27 2.45 0.00 -1.22 -3.79 105.19 108.32 1x4y n GLY 43 Ca -0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1x4y n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x4y s PHE 44 N 0.07 -0.81 -0.00 1.61 0.08 0.48 -4.12 117.98 115.28 1x4y s PHE 44 Ca 0.00 1.53 -0.09 0.00 0.12 0.00 0.00 56.93 58.49 1x4y s PHE 44 Cb 0.00 0.31 -0.05 0.00 -0.57 0.00 0.00 43.02 42.71 1x4y s PHE 44 CO 0.00 -0.49 0.30 0.71 -0.10 0.00 0.00 175.22 175.63 1x4y s TYR 45 N 2.62 3.61 -0.08 0.36 2.02 0.80 0.13 117.35 126.80 1x4y s TYR 45 Ca -0.01 0.69 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 1x4y s TYR 45 Cb -0.12 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1x4y s TYR 45 CO -0.13 0.62 -0.06 0.42 -1.57 0.00 0.00 175.55 174.83 1x4y s ILE 46 N -1.23 0.84 0.03 2.71 1.01 -0.22 -0.30 121.20 124.04 1x4y s ILE 46 Ca 0.26 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1x4y s ILE 46 Cb -0.14 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1x4y s ILE 46 CO 0.14 0.32 0.07 -0.31 0.00 0.00 0.00 174.94 175.16 1x4y s TYR 47 N 1.42 3.22 0.03 3.97 1.51 -0.08 -0.73 117.35 126.69 1x4y s TYR 47 Ca -0.02 0.13 -0.26 0.00 -1.01 0.00 0.00 57.07 55.92 1x4y s TYR 47 Cb -0.13 -1.68 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 1x4y s TYR 47 CO -0.04 0.53 0.60 1.52 -1.11 0.00 0.00 175.55 177.05 1x4y s TYR 48 N -1.26 -0.55 -0.27 2.71 1.13 -1.25 -2.73 117.35 115.12 1x4y s TYR 48 Ca 0.25 0.73 -0.26 0.00 -1.41 0.00 0.00 57.07 56.38 1x4y s TYR 48 Cb -0.12 0.41 0.17 0.00 -1.10 0.00 0.00 41.96 41.32 1x4y s TYR 48 CO 0.17 -0.67 1.27 -0.98 -2.51 0.00 0.00 175.55 172.83 1x4y s ARG 49 N -2.12 0.24 0.41 -3.49 1.04 -1.26 -2.18 118.95 111.60 1x4y s ARG 49 Ca -0.07 0.20 -0.25 0.00 -1.04 0.00 0.00 55.73 54.58 1x4y s ARG 49 Cb -0.01 0.12 -0.08 0.00 -2.04 0.00 0.00 34.95 32.94 1x4y s ARG 49 CO 0.01 -0.05 1.18 -1.25 -0.04 0.00 0.00 175.30 175.16 1x4y s PRO 50 N -0.26 3.98 0.66 3.89 0.04 -1.26 -4.21 135.00 137.84 1x4y s PRO 50 Ca 0.05 1.86 0.41 0.00 0.04 0.00 0.00 61.00 63.36 1x4y s PRO 50 Cb -0.04 -2.63 2.24 0.00 0.04 0.00 0.00 34.50 34.11 1x4y s PRO 50 CO -0.10 -0.39 2.28 0.00 0.04 0.00 0.00 177.00 178.83 1x4y h THR 51 N 2.24 0.06 0.00 1.26 1.03 -1.94 0.13 112.91 115.69 1x4y h THR 51 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1x4y h THR 51 Cb 1.24 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 69.26 1x4y h THR 51 CO 0.62 0.00 0.00 -0.78 -0.01 0.00 0.00 175.52 175.35 1x4y h ASP 52 N 0.00 0.00 -2.30 0.00 1.82 -1.93 -3.45 116.42 110.56 1x4y h ASP 52 Ca 0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.30 1x4y h ASP 52 Cb 0.13 0.00 0.19 0.00 0.68 0.00 0.00 39.33 40.33 1x4y h ASP 52 CO -0.00 0.00 -0.54 -1.20 -1.61 0.00 0.00 179.24 175.89 1x4y n SER 53 N -2.79 -2.91 -0.11 2.28 7.64 0.46 -5.00 113.62 113.19 1x4y n SER 53 Ca 0.02 -0.37 -0.20 0.00 1.01 0.00 0.00 58.87 59.34 1x4y n SER 53 Cb 0.34 -0.90 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 1x4y n SER 53 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x4y n ASP 54 N -2.37 1.94 -3.45 6.43 2.03 -1.26 -5.08 116.55 114.78 1x4y n ASP 54 Ca 0.05 0.36 -0.11 0.00 0.52 0.00 0.00 54.79 55.61 1x4y n ASP 54 Cb 0.50 -0.80 -0.03 0.00 -0.72 0.00 0.00 41.12 40.07 1x4y n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x4y s ASN 55 N -6.72 0.33 0.54 1.67 4.22 -1.26 -5.01 114.94 108.71 1x4y s ASN 55 Ca -0.33 -1.19 0.44 0.00 -2.14 0.00 0.00 52.86 49.65 1x4y s ASN 55 Cb 0.09 0.68 1.65 0.00 1.28 0.00 0.00 41.25 44.95 1x4y s ASN 55 CO 0.46 -1.34 1.64 -0.78 -2.04 0.00 0.00 177.10 175.03 1x4y h ASP 56 N 2.13 0.04 -1.11 3.54 1.82 -1.98 0.13 116.42 120.99 1x4y h ASP 56 Ca -0.28 0.02 0.32 0.00 -0.39 0.00 0.00 57.03 56.70 1x4y h ASP 56 Cb 1.25 0.02 -0.04 0.00 0.68 0.00 0.00 39.33 41.23 1x4y h ASP 56 CO 0.37 -0.03 1.24 -1.28 -1.61 0.00 0.00 179.24 177.93 1x4y h SER 57 N 0.02 0.00 0.14 2.28 0.87 -2.03 1.43 113.55 116.26 1x4y h SER 57 Ca 0.84 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 61.12 1x4y h SER 57 Cb 3.24 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 65.21 1x4y h SER 57 CO -0.08 0.00 -1.37 0.44 -0.53 0.00 0.00 176.83 175.30 1x4y h ASP 58 N 0.00 0.46 -0.76 6.23 5.19 -1.14 -3.47 116.42 122.92 1x4y h ASP 58 Ca 0.53 -0.89 -0.64 0.00 -0.62 0.00 0.00 57.03 55.41 1x4y h ASP 58 Cb 2.99 -0.15 0.02 0.00 0.18 0.00 0.00 39.33 42.37 1x4y h ASP 58 CO -0.01 1.61 0.31 -1.22 -3.12 0.00 0.00 179.24 176.82 1x4y n TYR 59 N -3.90 0.97 -2.73 4.55 4.01 0.49 -4.89 117.16 115.66 1x4y n TYR 59 Ca -0.23 0.85 -0.11 0.00 -0.16 0.00 0.00 57.90 58.25 1x4y n TYR 59 Cb 0.92 -1.66 0.05 0.00 -0.31 0.00 0.00 39.34 38.34 1x4y n TYR 59 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1x4y n LYS 60 N 2.21 0.52 -3.68 -0.72 5.02 -0.92 -4.88 118.16 115.71 1x4y n LYS 60 Ca 0.20 -1.51 -0.14 0.00 -2.02 0.00 0.00 58.31 54.84 1x4y n LYS 60 Cb 0.00 -0.23 -0.14 0.00 -0.02 0.00 0.00 35.03 34.64 1x4y n LYS 60 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1x4y s LYS 61 N -3.58 0.13 -0.24 1.97 2.20 -1.25 -3.88 119.74 115.10 1x4y s LYS 61 Ca 0.33 0.65 0.03 0.00 -0.36 0.00 0.00 55.97 56.62 1x4y s LYS 61 Cb -0.02 -0.10 0.05 0.00 -1.51 0.00 0.00 37.83 36.25 1x4y s LYS 61 CO 0.21 -0.26 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.31 1x4y s ASP 62 N 2.11 4.16 0.36 1.43 1.11 0.09 -4.86 116.67 121.06 1x4y s ASP 62 Ca -0.01 -1.24 -0.26 0.00 0.18 0.00 0.00 52.55 51.22 1x4y s ASP 62 Cb -0.12 -1.52 -0.09 0.00 1.07 0.00 0.00 42.92 42.26 1x4y s ASP 62 CO -0.08 -0.15 1.06 -0.32 1.18 0.00 0.00 175.17 176.85 1x4y s MET 63 N 1.15 4.32 -0.04 8.23 1.75 -1.26 -1.05 119.30 132.41 1x4y s MET 63 Ca -0.06 1.59 -0.05 0.00 -1.25 0.00 0.00 55.69 55.92 1x4y s MET 63 Cb -0.19 -2.75 0.01 0.00 2.84 0.00 0.00 34.83 34.75 1x4y s MET 63 CO -0.07 -0.02 0.12 0.08 -0.65 0.00 0.00 175.02 174.48 1x4y s VAL 64 N -1.51 0.02 0.26 10.11 1.01 0.35 -4.89 120.40 125.75 1x4y s VAL 64 Ca 0.53 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.12 1x4y s VAL 64 Cb -0.25 -0.22 -0.16 0.00 0.00 0.00 0.00 36.38 35.75 1x4y s VAL 64 CO 0.31 -0.08 0.37 -0.62 0.00 0.00 0.00 175.10 175.09 1x4y n GLU 65 N 2.72 0.00 0.26 2.72 1.02 -1.26 0.18 120.64 126.28 1x4y n GLU 65 Ca -0.14 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.17 1x4y n GLU 65 Cb 0.58 -0.97 0.73 0.00 -0.02 0.00 0.00 31.44 31.76 1x4y n GLU 65 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x4y h GLY 66 N 0.77 0.00 -1.26 0.62 0.00 -1.77 -1.90 103.07 99.52 1x4y h GLY 66 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1x4y h GLY 66 CO 0.52 0.00 -0.03 1.22 0.00 0.00 0.00 176.54 178.26 1x4y n ASP 67 N -2.90 2.32 -4.76 0.19 8.00 -1.26 -4.89 116.55 113.25 1x4y n ASP 67 Ca 0.00 -1.75 -0.37 0.00 0.71 0.00 0.00 54.79 53.38 1x4y n ASP 67 Cb 0.24 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.30 1x4y n ASP 67 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1x4y s ARG 68 N -2.03 4.11 -0.10 -1.24 6.06 -0.71 -4.97 118.95 120.07 1x4y s ARG 68 Ca 0.31 0.11 0.13 0.00 -2.50 0.00 0.00 55.73 53.78 1x4y s ARG 68 Cb 0.20 -3.37 0.30 0.00 0.06 0.00 0.00 34.95 32.14 1x4y s ARG 68 CO 0.33 0.37 1.21 0.66 -2.50 0.00 0.00 175.30 175.37 1x4y n TYR 69 N 3.13 0.33 -3.95 5.12 4.02 -1.26 -4.84 117.16 119.71 1x4y n TYR 69 Ca -0.13 -0.78 -0.10 0.00 -0.01 0.00 0.00 57.90 56.88 1x4y n TYR 69 Cb 0.52 -0.16 -0.11 0.00 -0.02 0.00 0.00 39.34 39.58 1x4y n TYR 69 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 176.86 177.52 1x4y s TRP 70 N -2.18 0.19 -0.26 -0.72 1.48 -1.26 -2.38 118.94 113.81 1x4y s TRP 70 Ca 0.27 -0.39 -0.16 0.00 -1.06 0.00 0.00 56.10 54.76 1x4y s TRP 70 Cb 0.21 -0.14 0.07 0.00 -1.16 0.00 0.00 33.47 32.45 1x4y s TRP 70 CO 0.06 -0.19 0.64 -1.58 -4.06 0.00 0.00 176.95 171.82 1x4y s HIS 71 N -1.30 -0.96 -0.42 1.66 2.46 -1.13 -5.03 115.29 110.57 1x4y s HIS 71 Ca -0.14 1.96 -0.09 0.00 0.47 0.00 0.00 55.06 57.26 1x4y s HIS 71 Cb -0.09 0.54 0.08 0.00 -0.13 0.00 0.00 32.58 32.98 1x4y s HIS 71 CO -0.00 -0.48 0.26 -1.54 -2.47 0.00 0.00 174.74 170.51 1x4y s SER 72 N 1.47 5.66 0.52 9.88 1.04 -1.26 -2.67 113.70 128.34 1x4y s SER 72 Ca -0.09 -1.48 -0.19 0.00 0.48 0.00 0.00 55.95 54.67 1x4y s SER 72 Cb -0.06 -2.00 -0.07 0.00 0.10 0.00 0.00 66.02 64.00 1x4y s SER 72 CO -0.17 -0.54 1.05 -0.63 0.98 0.00 0.00 173.24 173.93 1x4y s ILE 73 N 1.44 3.74 0.22 -1.02 1.01 0.99 -4.83 121.20 122.75 1x4y s ILE 73 Ca 0.03 1.01 0.05 0.00 0.00 0.00 0.00 60.65 61.75 1x4y s ILE 73 Cb -0.23 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1x4y s ILE 73 CO 0.02 -0.30 0.18 -1.20 0.00 0.00 0.00 174.94 173.64 1x4y n SER 74 N -1.27 -0.42 -3.57 3.58 7.64 -1.26 -0.99 113.62 117.33 1x4y n SER 74 Ca 0.09 -2.45 -0.20 0.00 1.01 0.00 0.00 58.87 57.32 1x4y n SER 74 Cb 0.52 1.10 0.07 0.00 -1.01 0.00 0.00 64.21 64.89 1x4y n SER 74 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1x4y n HIS 75 N -0.43 -2.20 -4.27 1.43 8.25 -0.92 -4.93 115.22 112.15 1x4y n HIS 75 Ca 0.05 0.92 -0.29 0.00 -0.26 0.00 0.00 57.72 58.14 1x4y n HIS 75 Cb 0.40 -4.78 -0.04 0.00 1.12 0.00 0.00 29.99 26.68 1x4y n HIS 75 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x4y s LEU 76 N -6.65 2.57 0.05 2.41 1.43 -1.11 -5.08 118.68 112.29 1x4y s LEU 76 Ca 0.13 -1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 51.71 1x4y s LEU 76 Cb -0.06 -1.02 -0.06 0.00 0.03 0.00 0.00 46.19 45.08 1x4y s LEU 76 CO 0.76 -0.95 0.40 -1.10 0.23 0.00 0.00 176.35 175.69 1x4y s GLN 77 N -4.08 3.81 0.53 1.70 -0.21 -1.26 -4.53 119.66 115.62 1x4y s GLN 77 Ca 0.23 0.25 -0.20 0.00 0.02 0.00 0.00 55.36 55.66 1x4y s GLN 77 Cb -0.00 -3.07 -0.06 0.00 1.00 0.00 0.00 33.01 30.87 1x4y s GLN 77 CO 0.14 0.61 1.13 -1.25 -2.12 0.00 0.00 175.29 173.80 1x4y s PRO 78 N -1.61 3.40 -1.32 2.91 0.04 -1.09 -3.44 135.00 133.90 1x4y s PRO 78 Ca 0.30 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1x4y s PRO 78 Cb -0.15 -2.05 0.12 0.00 0.04 0.00 0.00 34.50 32.46 1x4y s PRO 78 CO 0.16 -0.81 0.29 -0.85 0.04 0.00 0.00 177.00 175.83 1x4y n GLU 79 N -1.21 -0.84 -3.78 4.56 0.28 0.45 -4.84 120.64 115.26 1x4y n GLU 79 Ca 0.11 0.09 -0.37 0.00 -0.16 0.00 0.00 57.16 56.84 1x4y n GLU 79 Cb 0.51 -3.22 -0.12 0.00 1.43 0.00 0.00 31.44 30.04 1x4y n GLU 79 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1x4y s THR 80 N -3.15 3.40 -0.60 3.84 2.01 -1.22 -4.89 115.64 115.03 1x4y s THR 80 Ca 0.41 -1.73 -0.28 0.00 0.31 0.00 0.00 61.69 60.39 1x4y s THR 80 Cb -0.24 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.12 1x4y s THR 80 CO 0.76 -0.49 1.33 -0.55 -0.69 0.00 0.00 174.62 174.98 1x4y s SER 81 N 1.71 6.22 0.13 3.53 0.15 -1.26 -3.89 113.70 120.29 1x4y s SER 81 Ca 0.04 0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.85 1x4y s SER 81 Cb -0.22 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 1x4y s SER 81 CO -0.02 -1.67 -0.12 -0.72 1.20 0.00 0.00 173.24 171.91 1x4y s TYR 82 N 5.71 1.28 0.49 3.44 -0.85 -1.26 -4.49 117.35 121.68 1x4y s TYR 82 Ca 0.47 -0.65 -0.20 0.00 -0.52 0.00 0.00 57.07 56.17 1x4y s TYR 82 Cb -0.09 -0.66 -0.08 0.00 0.38 0.00 0.00 41.96 41.50 1x4y s TYR 82 CO 0.23 0.10 1.03 -0.51 -1.52 0.00 0.00 175.55 174.89 1x4y s ASP 83 N -2.75 6.33 0.01 -0.18 1.01 -1.26 -3.46 116.67 116.37 1x4y s ASP 83 Ca 0.11 1.89 -0.01 0.00 0.71 0.00 0.00 52.55 55.26 1x4y s ASP 83 Cb -0.02 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1x4y s ASP 83 CO 0.02 -0.79 0.01 -0.63 0.21 0.00 0.00 175.17 173.98 1x4y s ILE 84 N -2.06 0.07 0.27 0.77 1.01 0.15 -4.11 121.20 117.30 1x4y s ILE 84 Ca 0.66 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 1x4y s ILE 84 Cb -0.16 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.13 1x4y s ILE 84 CO 0.21 -0.31 0.64 -1.59 0.00 0.00 0.00 174.94 173.89 1x4y s LYS 85 N -0.93 1.72 0.29 2.79 -2.85 -1.11 -0.56 119.74 119.09 1x4y s LYS 85 Ca -0.10 -1.10 -0.11 0.00 -1.00 0.00 0.00 55.97 53.66 1x4y s LYS 85 Cb -0.06 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1x4y s LYS 85 CO -0.00 -0.77 0.53 0.00 0.10 0.00 0.00 175.35 175.21 1x4y s MET 86 N -3.90 1.75 -0.19 1.78 0.23 -1.26 -0.90 119.30 116.81 1x4y s MET 86 Ca 0.15 -1.41 -0.28 0.00 -1.03 0.00 0.00 55.69 53.13 1x4y s MET 86 Cb -0.04 0.49 0.10 0.00 -1.53 0.00 0.00 34.83 33.85 1x4y s MET 86 CO 0.08 -0.74 0.89 -1.14 -2.03 0.00 0.00 175.02 172.08 1x4y s GLN 87 N -3.52 0.71 0.42 3.16 0.74 0.59 -2.33 119.66 119.43 1x4y s GLN 87 Ca 0.23 0.46 0.06 0.00 0.05 0.00 0.00 55.36 56.16 1x4y s GLN 87 Cb -0.01 0.34 0.01 0.00 1.10 0.00 0.00 33.01 34.44 1x4y s GLN 87 CO 0.12 -0.16 0.59 0.00 -0.55 0.00 0.00 175.29 175.29 1x4y s PHE 89 N -2.39 -0.28 0.19 0.00 -0.71 -1.26 -0.90 117.98 112.63 1x4y s PHE 89 Ca 0.53 0.01 -0.23 0.00 -1.04 0.00 0.00 56.93 56.20 1x4y s PHE 89 Cb -0.10 0.32 0.05 0.00 -1.21 0.00 0.00 43.02 42.08 1x4y s PHE 89 CO 0.34 -0.72 0.68 0.54 -1.34 0.00 0.00 175.22 174.72 1x4y s ASN 90 N -2.73 -0.42 0.28 1.98 4.22 -1.20 -1.24 114.94 115.83 1x4y s ASN 90 Ca 0.02 -0.25 0.16 0.00 -2.14 0.00 0.00 52.86 50.65 1x4y s ASN 90 Cb 0.01 0.63 1.02 0.00 1.28 0.00 0.00 41.25 44.19 1x4y s ASN 90 CO -0.11 -1.09 1.19 1.21 -2.04 0.00 0.00 177.10 176.26 1x4y n GLU 91 N -0.41 -0.04 0.31 3.55 2.13 -1.26 0.55 120.64 125.47 1x4y n GLU 91 Ca -0.11 1.04 -0.16 0.00 0.66 0.00 0.00 57.16 58.59 1x4y n GLU 91 Cb 0.62 -1.86 -0.08 0.00 0.27 0.00 0.00 31.44 30.38 1x4y n GLU 91 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1x4y h GLY 92 N 0.00 -0.80 0.00 8.31 0.00 -1.90 -3.49 103.07 105.19 1x4y h GLY 92 Ca 0.64 0.30 0.00 0.00 0.00 0.00 0.00 47.33 48.27 1x4y h GLY 92 CO -0.58 -0.29 0.00 0.61 0.00 0.00 0.00 176.54 176.28 1x4y n GLY 93 N -1.04 1.92 3.76 4.60 0.00 0.19 -4.64 105.19 109.98 1x4y n GLY 93 Ca -0.12 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 1x4y n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x4y s GLU 94 N -2.00 3.56 0.87 1.61 2.02 -1.26 -3.26 118.70 120.24 1x4y s GLU 94 Ca 0.00 2.06 -0.09 0.00 0.02 0.00 0.00 54.97 56.96 1x4y s GLU 94 Cb 0.00 -2.43 0.19 0.00 0.10 0.00 0.00 34.13 31.98 1x4y s GLU 94 CO 0.00 -0.80 1.19 -1.13 0.02 0.00 0.00 175.26 174.54 1x4y n SER 95 N -0.55 0.72 -4.62 -0.19 3.41 -0.08 -4.82 113.62 107.50 1x4y n SER 95 Ca 0.08 -1.81 -0.29 0.00 -0.26 0.00 0.00 58.87 56.58 1x4y n SER 95 Cb 0.46 -0.85 0.20 0.00 -0.26 0.00 0.00 64.21 63.75 1x4y n SER 95 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4y s GLU 96 N -5.56 0.11 -0.32 4.33 0.41 -1.18 -4.79 118.70 111.70 1x4y s GLU 96 Ca 0.72 0.73 -0.23 0.00 -0.41 0.00 0.00 54.97 55.78 1x4y s GLU 96 Cb -0.03 -1.68 0.00 0.00 -1.78 0.00 0.00 34.13 30.64 1x4y s GLU 96 CO 0.49 -3.01 0.76 -0.06 -0.49 0.00 0.00 175.26 172.96 1x4y s PHE 97 N -2.77 3.19 0.83 1.61 0.40 -1.26 -4.64 117.98 115.35 1x4y s PHE 97 Ca 0.66 0.73 -0.11 0.00 -0.60 0.00 0.00 56.93 57.61 1x4y s PHE 97 Cb -0.21 -3.22 0.18 0.00 0.51 0.00 0.00 43.02 40.28 1x4y s PHE 97 CO 0.60 -0.58 0.40 -1.13 0.70 0.00 0.00 175.22 175.20 1x4y n SER 98 N 6.19 -2.82 -4.88 1.36 3.41 -0.99 -4.96 113.62 110.93 1x4y n SER 98 Ca 0.03 -0.40 -0.30 0.00 -0.26 0.00 0.00 58.87 57.94 1x4y n SER 98 Cb 0.48 -0.61 0.02 0.00 -0.26 0.00 0.00 64.21 63.83 1x4y n SER 98 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4y s ASN 99 N -2.09 6.05 -0.43 4.04 6.03 -1.26 -4.84 114.94 122.45 1x4y s ASN 99 Ca 0.31 1.25 -0.23 0.00 -1.03 0.00 0.00 52.86 53.15 1x4y s ASN 99 Cb -0.05 -2.29 0.02 0.00 -3.03 0.00 0.00 41.25 35.90 1x4y s ASN 99 CO 0.26 -0.93 0.80 -0.69 -2.03 0.00 0.00 177.10 174.51 1x4y s VAL 100 N -3.14 4.65 -0.21 3.54 1.01 -1.26 -4.56 120.40 120.44 1x4y s VAL 100 Ca 0.54 0.60 -0.07 0.00 0.00 0.00 0.00 61.98 63.06 1x4y s VAL 100 Cb -0.11 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1x4y s VAL 100 CO 0.52 -0.65 0.05 -0.04 0.00 0.00 0.00 175.10 174.98 1x4y s MET 101 N 3.29 3.79 -0.57 2.72 1.00 0.27 -4.88 119.30 124.93 1x4y s MET 101 Ca 0.31 -0.43 -0.20 0.00 0.00 0.00 0.00 55.69 55.38 1x4y s MET 101 Cb -0.12 -3.23 0.08 0.00 0.00 0.00 0.00 34.83 31.57 1x4y s MET 101 CO 0.21 0.06 0.72 0.42 0.00 0.00 0.00 175.02 176.43 1x4y s ILE 102 N 0.93 4.77 -0.37 2.53 1.01 -1.26 -0.67 121.20 128.13 1x4y s ILE 102 Ca 0.03 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 1x4y s ILE 102 Cb -0.14 -4.46 0.06 0.00 0.01 0.00 0.00 42.46 37.93 1x4y s ILE 102 CO 0.03 -1.07 0.17 0.00 0.00 0.00 0.00 174.94 174.07 1x4y s GLU 104 N 1.39 4.39 0.93 0.00 2.12 -1.26 -4.34 118.70 121.93 1x4y s GLU 104 Ca 0.01 1.35 -0.16 0.00 0.36 0.00 0.00 54.97 56.53 1x4y s GLU 104 Cb -0.21 -3.56 0.23 0.00 0.26 0.00 0.00 34.13 30.86 1x4y s GLU 104 CO 0.02 -0.35 0.74 0.25 -0.54 0.00 0.00 175.26 175.38 1x4y n THR 105 N 4.65 0.00 -3.44 -1.70 -2.24 -1.25 -4.53 114.28 105.78 1x4y n THR 105 Ca 0.09 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 1x4y n THR 105 Cb 0.48 -1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 67.64 1x4y n THR 105 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1x4y s LYS 106 N -4.70 3.65 0.25 -0.78 1.02 -1.15 -4.09 119.74 113.94 1x4y s LYS 106 Ca 0.50 0.00 -0.30 0.00 0.02 0.00 0.00 55.97 56.20 1x4y s LYS 106 Cb -0.06 -2.70 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 1x4y s LYS 106 CO 0.39 0.29 1.32 0.00 -0.92 0.00 0.00 175.35 176.43 1x4y s ALA 107 N -1.95 3.53 -1.20 5.17 0.00 -1.26 -0.41 121.76 125.63 1x4y s ALA 107 Ca 0.44 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 53.36 1x4y s ALA 107 Cb -0.11 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1x4y s ALA 107 CO 0.28 -0.58 1.81 -0.98 0.00 0.00 0.00 175.76 176.29 1x4y s ARG 108 N -0.66 3.23 0.98 0.00 1.70 -1.26 -4.81 118.95 118.12 1x4y s ARG 108 Ca 0.54 -1.47 -0.12 0.00 -0.47 0.00 0.00 55.73 54.22 1x4y s ARG 108 Cb -0.38 -5.37 0.18 0.00 -0.57 0.00 0.00 34.95 28.81 1x4y s ARG 108 CO 0.43 -3.07 1.08 -1.54 -1.08 0.00 0.00 175.30 171.12 1x4y s SER 109 N 5.50 2.73 0.00 -2.89 1.04 -1.26 -5.07 113.70 113.75 1x4y s SER 109 Ca 0.61 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.49 1x4y s SER 109 Cb 0.01 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1x4y s SER 109 CO 0.08 -3.10 0.00 0.61 0.98 0.00 0.00 173.24 171.81 1x4y n GLY 110 N -0.67 2.06 0.19 7.32 0.00 -1.26 -5.02 105.19 107.81 1x4y n GLY 110 Ca 0.06 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 1x4y n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4y h PRO 111 N 0.00 0.21 -5.42 1.61 0.13 -2.06 -3.42 132.00 123.06 1x4y h PRO 111 Ca 0.00 -0.11 -0.60 0.00 -0.87 0.00 0.00 66.00 64.41 1x4y h PRO 111 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.02 1x4y h PRO 111 CO 0.00 0.64 -0.15 -1.54 -0.23 0.00 0.00 178.00 176.71 1x4y s SER 112 N -6.88 6.45 0.31 1.44 1.04 -1.26 -5.07 113.70 109.72 1x4y s SER 112 Ca -0.04 0.53 -0.09 0.00 0.48 0.00 0.00 55.95 56.82 1x4y s SER 112 Cb 0.13 -2.25 -0.07 0.00 0.10 0.00 0.00 66.02 63.94 1x4y s SER 112 CO 0.77 -0.13 0.64 -0.44 0.98 0.00 0.00 173.24 175.07 1x4y s SER 113 N 1.17 6.57 0.00 7.02 0.01 -1.26 -5.13 113.70 122.08 1x4y s SER 113 Ca 0.20 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1x4y s SER 113 Cb -0.15 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x4y s SER 113 CO 0.09 -0.22 0.29 0.61 0.41 0.00 0.00 173.24 174.41