#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4d n PRO 11 N 0.00 0.21 -3.64 0.00 -0.04 -1.26 -4.75 135.00 125.52 3a4d n PRO 11 Ca 0.00 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 3a4d n PRO 11 Cb 0.00 -1.67 -0.13 0.00 -0.04 0.00 0.00 33.50 31.67 3a4d n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3a4d s LEU 12 N -3.98 -0.32 0.10 1.53 2.96 -1.25 -1.06 118.68 116.66 3a4d s LEU 12 Ca 0.09 0.53 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 3a4d s LEU 12 Cb 0.14 0.72 -0.04 0.00 0.50 0.00 0.00 46.19 47.52 3a4d s LEU 12 CO 0.66 -0.25 -0.10 -0.04 -1.32 0.00 0.00 176.35 175.31 3a4d s MET 13 N 2.43 0.85 -0.02 1.98 -1.94 -0.12 -4.42 119.30 118.06 3a4d s MET 13 Ca 0.02 -1.19 0.03 0.00 -1.71 0.00 0.00 55.69 52.84 3a4d s MET 13 Cb -0.12 -0.49 -0.00 0.00 2.01 0.00 0.00 34.83 36.22 3a4d s MET 13 CO -0.09 0.07 -0.11 0.08 -0.01 0.00 0.00 175.02 174.96 3a4d s VAL 14 N -2.62 0.87 -0.05 -6.03 1.01 -0.78 -1.15 120.40 111.65 3a4d s VAL 14 Ca 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3a4d s VAL 14 Cb -0.02 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.63 3a4d s VAL 14 CO -0.01 0.26 -0.05 -0.75 0.00 0.00 0.00 175.10 174.55 3a4d s LYS 15 N -0.04 0.92 -0.05 2.72 2.20 -0.03 -0.65 119.74 124.81 3a4d s LYS 15 Ca 0.01 -0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 3a4d s LYS 15 Cb -0.07 -0.93 0.00 0.00 -1.51 0.00 0.00 37.83 35.32 3a4d s LYS 15 CO 0.00 -0.09 -0.15 0.08 -0.36 0.00 0.00 175.35 174.82 3a4d s VAL 16 N 1.00 1.33 0.20 4.02 1.01 0.17 -1.26 120.40 126.87 3a4d s VAL 16 Ca -0.10 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.36 3a4d s VAL 16 Cb -0.14 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3a4d s VAL 16 CO -0.00 0.39 -0.22 -0.76 0.00 0.00 0.00 175.10 174.51 3a4d s LEU 17 N 0.24 2.52 -0.34 3.92 1.43 -0.17 -1.36 118.68 124.92 3a4d s LEU 17 Ca -0.08 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.11 3a4d s LEU 17 Cb -0.13 -1.23 0.03 0.00 0.03 0.00 0.00 46.19 44.90 3a4d s LEU 17 CO 0.03 0.11 0.11 -0.62 0.23 0.00 0.00 176.35 176.21 3a4d s ASP 18 N -2.75 5.33 0.00 2.29 -1.08 0.64 -0.86 116.67 120.25 3a4d s ASP 18 Ca 0.22 -1.04 0.20 0.00 -0.52 0.00 0.00 52.55 51.40 3a4d s ASP 18 Cb -0.08 -1.89 0.84 0.00 -1.46 0.00 0.00 42.92 40.33 3a4d s ASP 18 CO 0.11 -0.31 1.63 0.00 0.52 0.00 0.00 175.17 177.12 3a4d n ALA 19 N 4.84 1.90 -0.02 3.66 0.00 0.16 -1.37 120.51 129.67 3a4d n ALA 19 Ca -0.13 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 3a4d n ALA 19 Cb 0.45 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 3a4d n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a4d h VAL 20 N 0.00 0.86 0.00 0.00 2.07 -1.94 -3.38 116.25 113.86 3a4d h VAL 20 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 3a4d h VAL 20 Cb 0.34 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3a4d h VAL 20 CO 0.00 0.67 -0.89 0.54 0.02 0.00 0.00 177.57 177.91 3a4d n ARG 21 N -3.91 0.10 -2.79 1.57 1.74 -1.24 -4.99 116.66 107.14 3a4d n ARG 21 Ca -0.29 -0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.68 3a4d n ARG 21 Cb 0.89 -1.53 0.05 0.00 -1.02 0.00 0.00 32.46 30.85 3a4d n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a4d n GLY 22 N 1.45 -0.05 3.32 -0.13 0.00 -0.47 -5.02 105.19 104.30 3a4d n GLY 22 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 3a4d n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a4d s SER 23 N -3.72 -0.27 0.59 1.61 1.04 -1.07 -5.00 113.70 106.88 3a4d s SER 23 Ca 0.03 -0.19 -0.19 0.00 0.48 0.00 0.00 55.95 56.07 3a4d s SER 23 Cb -0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 3a4d s SER 23 CO 0.42 -0.79 1.06 -0.81 0.98 0.00 0.00 173.24 174.10 3a4d n PRO 24 N 0.02 1.07 -2.91 4.02 -0.04 -1.26 -0.26 135.00 135.63 3a4d n PRO 24 Ca -0.17 0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 63.27 3a4d n PRO 24 Cb 0.62 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.78 3a4d n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a4d s ALA 25 N -1.45 3.19 0.15 0.55 0.00 -0.47 -4.54 121.76 119.20 3a4d s ALA 25 Ca 0.75 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 3a4d s ALA 25 Cb -0.42 -3.71 -0.07 0.00 0.00 0.00 0.00 23.12 18.91 3a4d s ALA 25 CO 0.47 -2.48 0.64 0.42 0.00 0.00 0.00 175.76 174.81 3a4d s ILE 26 N 3.73 4.66 -1.35 0.00 1.01 -1.26 -4.33 121.20 123.66 3a4d s ILE 26 Ca 0.24 1.22 -0.04 0.00 0.00 0.00 0.00 60.65 62.06 3a4d s ILE 26 Cb -0.16 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3a4d s ILE 26 CO 0.14 0.37 0.51 -3.20 0.00 0.00 0.00 174.94 172.75 3a4d n ASN 27 N 1.18 -5.50 -4.70 3.58 5.15 -0.15 -4.92 115.26 109.90 3a4d n ASN 27 Ca -0.06 -0.24 -0.39 0.00 -0.60 0.00 0.00 54.58 53.29 3a4d n ASN 27 Cb 0.51 -4.35 -0.06 0.00 -0.53 0.00 0.00 39.78 35.35 3a4d n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3a4d s VAL 28 N -3.09 5.10 0.28 3.44 1.01 -1.26 -4.69 120.40 121.19 3a4d s VAL 28 Ca 0.25 1.13 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 3a4d s VAL 28 Cb -0.11 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 3a4d s VAL 28 CO 0.31 0.23 1.10 0.00 0.00 0.00 0.00 175.10 176.74 3a4d s ALA 29 N 1.16 3.40 -0.05 5.51 0.00 -1.26 -1.00 121.76 129.53 3a4d s ALA 29 Ca 0.29 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.17 3a4d s ALA 29 Cb -0.16 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3a4d s ALA 29 CO 0.12 -0.17 -0.04 0.08 0.00 0.00 0.00 175.76 175.74 3a4d s VAL 30 N -1.17 0.53 -0.08 0.00 1.01 -0.05 -0.53 120.40 120.11 3a4d s VAL 30 Ca 0.45 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.37 3a4d s VAL 30 Cb -0.32 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 3a4d s VAL 30 CO 0.41 0.23 -0.23 -1.00 0.00 0.00 0.00 175.10 174.51 3a4d s HIS 31 N 0.99 2.37 0.02 5.22 3.76 -0.15 -1.02 115.29 126.48 3a4d s HIS 31 Ca -0.10 -0.83 0.06 0.00 -0.15 0.00 0.00 55.06 54.04 3a4d s HIS 31 Cb -0.14 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.94 3a4d s HIS 31 CO -0.00 -0.30 -0.16 0.08 -0.85 0.00 0.00 174.74 173.50 3a4d s VAL 32 N 0.12 2.95 0.07 -0.90 1.01 0.20 -0.37 120.40 123.47 3a4d s VAL 32 Ca -0.11 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 60.86 3a4d s VAL 32 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3a4d s VAL 32 CO 0.06 0.39 -0.12 -0.36 0.00 0.00 0.00 175.10 175.07 3a4d s PHE 33 N -0.90 1.05 -0.03 5.22 0.40 0.14 0.00 117.98 123.86 3a4d s PHE 33 Ca 0.14 -0.50 0.06 0.00 -0.60 0.00 0.00 56.93 56.03 3a4d s PHE 33 Cb -0.11 -0.59 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 3a4d s PHE 33 CO 0.05 0.01 -0.19 0.50 0.70 0.00 0.00 175.22 176.29 3a4d s ARG 34 N -1.89 2.32 0.06 0.44 3.52 -0.07 -0.76 118.95 122.58 3a4d s ARG 34 Ca -0.03 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 3a4d s ARG 34 Cb -0.09 -2.23 -0.05 0.00 -1.56 0.00 0.00 34.95 31.02 3a4d s ARG 34 CO 0.01 0.59 1.16 0.21 -0.81 0.00 0.00 175.30 176.47 3a4d s LYS 35 N -0.73 4.46 0.42 5.12 2.47 -0.29 -1.41 119.74 129.79 3a4d s LYS 35 Ca 0.11 1.72 0.04 0.00 -1.56 0.00 0.00 55.97 56.28 3a4d s LYS 35 Cb -0.10 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 32.91 3a4d s LYS 35 CO 0.00 -0.20 0.60 0.00 0.16 0.00 0.00 175.35 175.91 3a4d s ALA 36 N 0.93 4.05 0.47 3.13 0.00 0.10 -4.75 121.76 125.70 3a4d s ALA 36 Ca 0.57 -1.33 0.37 0.00 0.00 0.00 0.00 51.96 51.57 3a4d s ALA 36 Cb -0.28 -1.89 1.90 0.00 0.00 0.00 0.00 23.12 22.85 3a4d s ALA 36 CO 0.30 -0.30 2.20 0.00 0.00 0.00 0.00 175.76 177.96 3a4d h ALA 37 N 0.56 1.11 -0.13 0.00 0.00 -1.95 0.71 119.26 119.56 3a4d h ALA 37 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3a4d h ALA 37 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3a4d h ALA 37 CO 0.53 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 3a4d n ASP 38 N -3.28 1.14 0.00 0.00 5.68 -1.26 -4.90 116.55 113.94 3a4d n ASP 38 Ca -0.02 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 3a4d n ASP 38 Cb 0.17 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3a4d n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3a4d n ASP 39 N -0.02 -2.05 -4.91 -1.12 8.00 0.24 -5.02 116.55 111.69 3a4d n ASP 39 Ca 0.05 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.28 3a4d n ASP 39 Cb 0.22 -1.28 0.01 0.00 -0.02 0.00 0.00 41.12 40.05 3a4d n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3a4d s THR 40 N -2.25 4.59 -0.23 -3.53 -4.23 -1.26 -4.78 115.64 103.94 3a4d s THR 40 Ca 0.00 0.17 -0.21 0.00 -1.18 0.00 0.00 61.69 60.48 3a4d s THR 40 Cb 0.00 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 3a4d s THR 40 CO 0.00 -0.77 0.64 0.26 -0.54 0.00 0.00 174.62 174.21 3a4d s TRP 41 N -2.82 3.31 -0.16 3.99 0.52 -1.26 -0.72 118.94 121.81 3a4d s TRP 41 Ca 0.49 0.87 -0.07 0.00 0.02 0.00 0.00 56.10 57.42 3a4d s TRP 41 Cb -0.10 -2.84 -0.04 0.00 -1.15 0.00 0.00 33.47 29.34 3a4d s TRP 41 CO 0.45 -0.28 0.07 -1.21 0.02 0.00 0.00 176.95 176.00 3a4d s GLU 42 N 2.33 3.75 0.26 4.98 0.41 -0.50 -4.92 118.70 125.02 3a4d s GLU 42 Ca 0.27 -0.31 -0.28 0.00 -0.41 0.00 0.00 54.97 54.24 3a4d s GLU 42 Cb -0.16 -3.16 -0.15 0.00 -1.78 0.00 0.00 34.13 28.89 3a4d s GLU 42 CO 0.09 0.43 0.91 -2.30 -0.49 0.00 0.00 175.26 173.90 3a4d n PRO 43 N 3.05 1.04 0.00 0.39 -0.02 -1.26 -0.89 135.00 137.32 3a4d n PRO 43 Ca -0.17 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3a4d n PRO 43 Cb 0.53 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3a4d n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3a4d n PHE 44 N 0.26 0.00 -3.50 6.00 7.35 0.10 -4.70 117.46 122.97 3a4d n PHE 44 Ca 0.12 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.69 3a4d n PHE 44 Cb 0.30 0.09 -0.03 0.00 0.35 0.00 0.00 39.48 40.18 3a4d n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3a4d s ALA 45 N -1.94 -1.78 0.26 3.13 0.00 -0.97 -5.00 121.76 115.45 3a4d s ALA 45 Ca 0.00 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 3a4d s ALA 45 Cb 0.00 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3a4d s ALA 45 CO 0.00 -0.57 0.67 -1.54 0.00 0.00 0.00 175.76 174.33 3a4d s SER 46 N -2.01 -0.27 0.00 0.00 1.04 -1.26 0.58 113.70 111.78 3a4d s SER 46 Ca -0.01 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3a4d s SER 46 Cb -0.01 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3a4d s SER 46 CO -0.04 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.51 3a4d n GLY 47 N -0.44 -1.24 3.27 7.32 0.00 -0.19 -4.98 105.19 108.94 3a4d n GLY 47 Ca -0.05 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 3a4d n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a4d s LYS 48 N -0.00 1.85 0.44 1.61 -0.14 -1.26 -0.87 119.74 121.38 3a4d s LYS 48 Ca 0.00 -0.87 -0.24 0.00 -1.36 0.00 0.00 55.97 53.50 3a4d s LYS 48 Cb 0.00 -1.83 -0.08 0.00 -1.68 0.00 0.00 37.83 34.24 3a4d s LYS 48 CO 0.00 0.50 1.20 0.95 -0.76 0.00 0.00 175.35 177.24 3a4d s THR 49 N -0.59 2.98 0.62 2.17 -4.23 -0.17 -4.79 115.64 111.62 3a4d s THR 49 Ca 0.09 0.78 -0.10 0.00 -1.18 0.00 0.00 61.69 61.28 3a4d s THR 49 Cb -0.09 -3.42 0.15 0.00 1.34 0.00 0.00 72.50 70.48 3a4d s THR 49 CO -0.00 0.03 0.71 -1.54 -0.54 0.00 0.00 174.62 173.28 3a4d n SER 50 N -0.26 -0.59 0.33 3.99 3.41 0.47 -0.97 113.62 119.99 3a4d n SER 50 Ca 0.06 -1.12 0.22 0.00 -0.26 0.00 0.00 58.87 57.76 3a4d n SER 50 Cb 0.47 -0.58 1.17 0.00 -0.26 0.00 0.00 64.21 65.00 3a4d n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3a4d h GLU 51 N 0.00 0.00 -0.66 4.33 5.08 -1.94 0.10 114.58 121.49 3a4d h GLU 51 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3a4d h GLU 51 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3a4d h GLU 51 CO 0.17 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.05 3a4d n SER 52 N -3.13 3.63 -0.08 1.42 3.41 -1.26 -4.81 113.62 112.80 3a4d n SER 52 Ca -0.03 -2.06 -0.01 0.00 -0.26 0.00 0.00 58.87 56.51 3a4d n SER 52 Cb 0.10 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3a4d n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a4d n GLY 53 N 1.47 0.49 3.63 5.00 0.00 0.02 -4.78 105.19 111.02 3a4d n GLY 53 Ca 0.22 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 3a4d n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a4d s GLU 54 N -1.15 2.25 -0.06 1.61 2.02 -1.26 -0.65 118.70 121.46 3a4d s GLU 54 Ca 0.00 -1.38 -0.01 0.00 0.02 0.00 0.00 54.97 53.60 3a4d s GLU 54 Cb 0.00 -2.17 0.03 0.00 0.10 0.00 0.00 34.13 32.09 3a4d s GLU 54 CO 0.00 0.38 0.02 -1.17 0.02 0.00 0.00 175.26 174.51 3a4d s LEU 55 N -3.48 0.55 0.22 1.80 2.96 0.18 -0.40 118.68 120.50 3a4d s LEU 55 Ca 0.30 -0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.28 3a4d s LEU 55 Cb -0.07 -0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.25 3a4d s LEU 55 CO 0.19 -0.19 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.84 3a4d s HIS 56 N 1.88 2.01 0.00 5.38 3.76 -1.26 -1.86 115.29 125.20 3a4d s HIS 56 Ca 0.03 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3a4d s HIS 56 Cb -0.12 -0.94 0.00 0.00 1.11 0.00 0.00 32.58 32.63 3a4d s HIS 56 CO -0.04 0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.75 3a4d n GLY 57 N -0.17 0.56 0.13 -2.22 0.00 -1.26 -4.94 105.19 97.29 3a4d n GLY 57 Ca -0.09 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 3a4d n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a4d h LEU 58 N 0.00 0.29 0.00 0.99 3.38 -1.87 -3.48 115.31 114.62 3a4d h LEU 58 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3a4d h LEU 58 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3a4d h LEU 58 CO 0.00 0.22 0.00 1.07 0.09 0.00 0.00 178.44 179.82 3a4d n THR 59 N -4.90 0.00 -4.32 0.22 5.66 -1.26 -4.79 114.28 104.88 3a4d n THR 59 Ca -0.02 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.81 3a4d n THR 59 Cb 0.03 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.71 3a4d n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3a4d s THR 60 N -2.30 1.26 0.31 1.09 -4.23 -1.26 -4.60 115.64 105.91 3a4d s THR 60 Ca 0.00 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 3a4d s THR 60 Cb 0.00 -2.14 0.26 0.00 1.34 0.00 0.00 72.50 71.96 3a4d s THR 60 CO 0.00 -0.51 1.98 -0.33 -0.54 0.00 0.00 174.62 175.22 3a4d h GLU 61 N 2.57 1.01 -0.99 3.99 5.08 -1.98 0.45 114.58 124.72 3a4d h GLU 61 Ca -0.38 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 57.97 3a4d h GLU 61 Cb 1.21 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 3a4d h GLU 61 CO 0.64 0.67 0.64 1.49 -1.00 0.00 0.00 179.01 181.45 3a4d h GLU 62 N 1.04 1.18 0.00 2.33 4.81 -2.05 -3.22 114.58 118.67 3a4d h GLU 62 Ca 0.29 -0.07 -0.25 0.00 -0.13 0.00 0.00 59.36 59.19 3a4d h GLU 62 Cb -0.09 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 28.98 3a4d h GLU 62 CO -0.07 0.78 -1.55 0.93 -0.73 0.00 0.00 179.01 178.38 3a4d h GLU 63 N 1.22 0.00 -4.41 1.92 5.08 -1.69 -3.40 114.58 113.30 3a4d h GLU 63 Ca 0.40 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 58.04 3a4d h GLU 63 Cb 0.05 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 3a4d h GLU 63 CO -0.14 0.50 2.33 0.34 -1.00 0.00 0.00 179.01 181.04 3a4d n PHE 64 N -3.05 3.87 -2.21 4.33 7.35 0.05 -4.94 117.46 122.87 3a4d n PHE 64 Ca -0.13 -2.96 -0.26 0.00 -0.76 0.00 0.00 57.45 53.34 3a4d n PHE 64 Cb 0.99 -2.35 0.07 0.00 0.35 0.00 0.00 39.48 38.55 3a4d n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3a4d s VAL 65 N 2.39 2.26 0.50 -2.13 -7.23 -1.26 -4.95 120.40 109.98 3a4d s VAL 65 Ca 0.46 -0.27 -0.23 0.00 -1.81 0.00 0.00 61.98 60.12 3a4d s VAL 65 Cb 0.08 -2.99 -0.06 0.00 0.56 0.00 0.00 36.38 33.97 3a4d s VAL 65 CO -0.01 0.00 1.36 -1.61 -0.31 0.00 0.00 175.10 174.53 3a4d s GLU 66 N -5.26 3.41 0.00 4.82 2.02 -1.26 -4.85 118.70 117.57 3a4d s GLU 66 Ca 0.61 2.24 0.00 0.00 0.02 0.00 0.00 54.97 57.84 3a4d s GLU 66 Cb -0.10 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.71 3a4d s GLU 66 CO 0.45 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 175.16 3a4d n GLY 67 N 0.65 -0.73 3.54 -1.39 0.00 -1.20 -4.98 105.19 101.09 3a4d n GLY 67 Ca 0.08 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 3a4d n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4d s ILE 68 N -2.00 4.45 0.17 -0.61 1.01 -1.26 -0.64 121.20 122.33 3a4d s ILE 68 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.60 3a4d s ILE 68 Cb 0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3a4d s ILE 68 CO 0.00 0.42 -0.15 -0.31 0.00 0.00 0.00 174.94 174.89 3a4d s TYR 69 N 0.85 2.51 -0.08 3.97 1.51 0.25 -1.14 117.35 125.24 3a4d s TYR 69 Ca 0.03 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 3a4d s TYR 69 Cb -0.14 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 3a4d s TYR 69 CO 0.02 0.49 -0.17 0.21 -1.11 0.00 0.00 175.55 174.99 3a4d s LYS 70 N -2.67 2.18 -0.23 -0.62 2.20 0.06 -1.39 119.74 119.27 3a4d s LYS 70 Ca 0.22 -0.59 -0.05 0.00 -0.36 0.00 0.00 55.97 55.20 3a4d s LYS 70 Cb -0.09 -1.73 -0.01 0.00 -1.51 0.00 0.00 37.83 34.49 3a4d s LYS 70 CO 0.13 0.10 -0.01 0.08 -0.36 0.00 0.00 175.35 175.28 3a4d s VAL 71 N 0.50 3.63 -0.20 4.02 1.01 0.87 -0.68 120.40 129.55 3a4d s VAL 71 Ca -0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3a4d s VAL 71 Cb -0.16 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3a4d s VAL 71 CO 0.05 0.39 0.00 -1.61 0.00 0.00 0.00 175.10 173.94 3a4d s GLU 72 N 1.51 3.62 -0.25 2.72 2.02 0.50 -0.34 118.70 128.49 3a4d s GLU 72 Ca 0.06 -0.52 -0.06 0.00 0.02 0.00 0.00 54.97 54.48 3a4d s GLU 72 Cb -0.15 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 30.98 3a4d s GLU 72 CO -0.01 0.00 0.02 0.42 0.02 0.00 0.00 175.26 175.71 3a4d s ILE 73 N 1.03 3.80 -1.29 -1.63 1.01 0.18 -0.97 121.20 123.33 3a4d s ILE 73 Ca 0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 3a4d s ILE 73 Cb -0.14 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.54 3a4d s ILE 73 CO 0.02 0.32 2.00 0.47 0.00 0.00 0.00 174.94 177.75 3a4d n ASP 74 N 4.85 3.97 0.09 3.58 10.43 0.31 -1.49 116.55 138.29 3a4d n ASP 74 Ca -0.17 -2.83 -0.03 0.00 2.57 0.00 0.00 54.79 54.33 3a4d n ASP 74 Cb 0.50 -1.62 0.19 0.00 1.84 0.00 0.00 41.12 42.02 3a4d n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3a4d h THR 75 N 4.77 1.33 -0.32 -3.53 1.35 -1.87 -3.17 112.91 111.48 3a4d h THR 75 Ca 0.48 -1.67 -0.05 0.00 -0.55 0.00 0.00 66.41 64.61 3a4d h THR 75 Cb 0.75 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 3a4d h THR 75 CO 1.70 0.50 -0.01 0.50 -0.25 0.00 0.00 175.52 177.96 3a4d h LYS 76 N 0.20 0.56 -0.85 4.72 3.64 -1.71 -0.75 116.57 122.38 3a4d h LYS 76 Ca 0.01 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3a4d h LYS 76 Cb 0.91 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 3a4d h LYS 76 CO 0.07 0.70 0.44 0.77 -2.27 0.00 0.00 179.45 179.17 3a4d h SER 77 N 0.36 1.08 -0.13 4.20 0.02 -1.84 -1.59 113.55 115.66 3a4d h SER 77 Ca 0.09 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3a4d h SER 77 Cb 0.46 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 3a4d h SER 77 CO 0.02 0.89 -0.11 0.22 -1.14 0.00 0.00 176.83 176.71 3a4d h TYR 78 N 1.20 -0.27 -0.41 3.45 3.20 -1.45 -2.24 116.97 120.45 3a4d h TYR 78 Ca 0.30 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.07 3a4d h TYR 78 Cb 0.07 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3a4d h TYR 78 CO 0.01 -0.17 -0.21 -1.49 -1.64 0.00 0.00 178.16 174.67 3a4d h TRP 79 N -0.13 0.91 -0.86 -3.82 4.06 -0.87 -2.99 115.95 112.25 3a4d h TRP 79 Ca 0.08 -0.20 0.01 0.00 2.06 0.00 0.00 58.89 60.84 3a4d h TRP 79 Cb 0.25 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.15 3a4d h TRP 79 CO -0.23 0.94 0.57 0.87 -3.56 0.00 0.00 178.44 177.03 3a4d h LYS 80 N 0.70 1.14 0.00 0.49 1.57 -1.20 -1.47 116.57 117.80 3a4d h LYS 80 Ca 0.10 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3a4d h LYS 80 Cb 0.72 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3a4d h LYS 80 CO 0.06 0.75 -0.21 0.00 -0.57 0.00 0.00 179.45 179.47 3a4d h ALA 81 N 1.46 1.24 -0.01 3.86 0.00 -1.28 -1.05 119.26 123.49 3a4d h ALA 81 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3a4d h ALA 81 Cb -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3a4d h ALA 81 CO -0.07 0.27 -0.07 1.28 0.00 0.00 0.00 179.25 180.66 3a4d n LEU 82 N -3.69 0.70 -0.65 0.00 4.77 -0.79 -4.94 117.00 112.40 3a4d n LEU 82 Ca -0.01 -0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.74 3a4d n LEU 82 Cb 0.33 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3a4d n LEU 82 CO 0.33 0.12 -0.07 0.61 -1.33 0.00 0.00 177.39 177.05 3a4d n GLY 83 N 1.19 0.39 3.19 -0.72 0.00 -0.40 -5.03 105.19 103.83 3a4d n GLY 83 Ca 0.18 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3a4d n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4d s ILE 84 N -2.29 2.16 -0.15 -0.61 1.01 -0.62 -5.02 121.20 115.67 3a4d s ILE 84 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 3a4d s ILE 84 Cb 0.00 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3a4d s ILE 84 CO 0.00 0.55 1.79 -0.55 0.00 0.00 0.00 174.94 176.73 3a4d s SER 85 N 0.74 6.26 0.39 3.58 0.15 -1.26 -3.88 113.70 119.67 3a4d s SER 85 Ca -0.08 1.93 0.03 0.00 0.70 0.00 0.00 55.95 58.52 3a4d s SER 85 Cb -0.16 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.61 3a4d s SER 85 CO -0.00 -1.31 0.57 -2.16 1.20 0.00 0.00 173.24 171.54 3a4d s PRO 86 N 4.86 3.15 -0.18 5.44 0.04 -1.26 -4.81 135.00 142.24 3a4d s PRO 86 Ca 0.80 -0.67 -0.19 0.00 0.04 0.00 0.00 61.00 60.98 3a4d s PRO 86 Cb -0.31 -2.68 -0.16 0.00 0.04 0.00 0.00 34.50 31.39 3a4d s PRO 86 CO 0.33 -0.07 0.21 0.35 0.04 0.00 0.00 177.00 177.86 3a4d h PHE 87 N 0.65 0.00 -3.92 0.56 3.57 -1.30 -3.49 116.94 113.01 3a4d h PHE 87 Ca -0.47 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.55 3a4d h PHE 87 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3a4d h PHE 87 CO 0.45 1.07 0.23 -1.01 -2.23 0.00 0.00 178.31 176.82 3a4d s HIS 88 N -2.28 3.43 0.06 0.41 3.76 -1.26 -4.98 115.29 114.43 3a4d s HIS 88 Ca -0.23 1.28 -0.17 0.00 -0.15 0.00 0.00 55.06 55.79 3a4d s HIS 88 Cb 0.04 -2.62 -0.15 0.00 1.11 0.00 0.00 32.58 30.95 3a4d s HIS 88 CO 0.51 -0.18 1.29 0.93 -0.85 0.00 0.00 174.74 176.44 3a4d h GLU 89 N 1.33 0.57 -2.45 1.40 4.39 -1.98 -3.37 114.58 114.48 3a4d h GLU 89 Ca -0.47 -0.41 0.14 0.00 0.34 0.00 0.00 59.36 58.96 3a4d h GLU 89 Cb 1.18 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.81 3a4d h GLU 89 CO 0.63 1.03 0.44 -3.38 -1.16 0.00 0.00 179.01 176.56 3a4d s HIS 90 N -3.89 -0.20 -0.11 4.33 -3.43 -1.26 -3.20 115.29 107.54 3a4d s HIS 90 Ca -0.13 -0.09 -0.11 0.00 -0.80 0.00 0.00 55.06 53.94 3a4d s HIS 90 Cb 0.06 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.79 3a4d s HIS 90 CO 0.83 -0.83 0.23 0.00 -2.00 0.00 0.00 174.74 172.97 3a4d s ALA 91 N -3.36 3.75 -0.08 -1.38 0.00 -0.55 -4.90 121.76 115.23 3a4d s ALA 91 Ca 0.10 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.58 3a4d s ALA 91 Cb -0.02 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.93 3a4d s ALA 91 CO 0.00 0.41 -0.17 -2.00 0.00 0.00 0.00 175.76 174.01 3a4d s GLU 92 N -0.53 2.22 -0.13 0.00 2.12 -1.26 0.52 118.70 121.63 3a4d s GLU 92 Ca 0.16 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.92 3a4d s GLU 92 Cb -0.13 -1.77 0.02 0.00 0.26 0.00 0.00 34.13 32.51 3a4d s GLU 92 CO 0.05 0.07 -0.17 0.08 -0.54 0.00 0.00 175.26 174.75 3a4d s VAL 93 N 0.60 1.69 -0.07 3.70 1.01 0.54 -4.96 120.40 122.91 3a4d s VAL 93 Ca -0.15 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3a4d s VAL 93 Cb -0.16 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.68 3a4d s VAL 93 CO 0.05 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.78 3a4d s VAL 94 N 1.12 1.39 0.18 2.92 1.01 -1.26 -0.09 120.40 125.67 3a4d s VAL 94 Ca -0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 3a4d s VAL 94 Cb -0.14 -1.23 0.05 0.00 0.00 0.00 0.00 36.38 35.05 3a4d s VAL 94 CO -0.05 0.41 0.58 0.72 0.00 0.00 0.00 175.10 176.76 3a4d s PHE 95 N 0.48 -0.37 -0.22 5.22 -0.71 -0.49 -5.00 117.98 116.89 3a4d s PHE 95 Ca -0.14 0.08 -0.08 0.00 -1.04 0.00 0.00 56.93 55.75 3a4d s PHE 95 Cb -0.16 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 3a4d s PHE 95 CO 0.05 -0.91 0.10 0.99 -1.34 0.00 0.00 175.22 174.11 3a4d s THR 96 N -3.81 4.85 0.11 -4.49 2.01 -1.26 -0.58 115.64 112.47 3a4d s THR 96 Ca 0.04 -0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.78 3a4d s THR 96 Cb -0.01 -3.23 -0.07 0.00 0.01 0.00 0.00 72.50 69.20 3a4d s THR 96 CO -0.08 0.39 0.80 0.00 -0.69 0.00 0.00 174.62 175.03 3a4d s ALA 97 N 0.95 3.39 -0.07 7.40 0.00 0.19 -4.96 121.76 128.67 3a4d s ALA 97 Ca 0.05 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.38 3a4d s ALA 97 Cb -0.14 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3a4d s ALA 97 CO 0.03 0.15 -0.09 1.21 0.00 0.00 0.00 175.76 177.07 3a4d s ASN 98 N -0.53 1.56 0.39 0.00 2.47 -1.26 -3.25 114.94 114.32 3a4d s ASN 98 Ca 0.38 -0.24 0.19 0.00 0.42 0.00 0.00 52.86 53.62 3a4d s ASN 98 Cb -0.22 -0.69 0.75 0.00 -1.45 0.00 0.00 41.25 39.64 3a4d s ASN 98 CO 0.25 -0.03 1.77 0.44 -3.72 0.00 0.00 177.10 175.82 3a4d h ASP 99 N 7.26 0.00 0.15 -4.21 3.32 -1.97 -2.53 116.42 118.44 3a4d h ASP 99 Ca -0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3a4d h ASP 99 Cb 1.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 3a4d h ASP 99 CO 0.46 0.35 -0.09 0.28 -1.72 0.00 0.00 179.24 178.52 3a4d h SER 100 N 0.00 0.00 -3.53 6.45 0.02 -2.04 -3.45 113.55 111.01 3a4d h SER 100 Ca -0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.52 3a4d h SER 100 Cb 0.83 0.00 0.19 0.00 0.14 0.00 0.00 62.40 63.56 3a4d h SER 100 CO 0.05 0.09 0.11 -0.83 -1.14 0.00 0.00 176.83 175.10 3a4d s GLY 101 N -4.15 1.55 0.94 -3.77 0.00 -0.95 -5.04 107.32 95.90 3a4d s GLY 101 Ca -0.04 -0.67 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 3a4d s GLY 101 CO 0.63 0.13 0.82 -1.05 0.00 0.00 0.00 173.10 173.63 3a4d n PRO 102 N -4.71 -0.46 0.02 2.90 -0.02 -1.26 -4.97 135.00 126.50 3a4d n PRO 102 Ca 0.09 -0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 3a4d n PRO 102 Cb 0.58 -2.15 0.09 0.00 -0.02 0.00 0.00 33.50 32.01 3a4d n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3a4d n ARG 103 N -3.18 0.19 -5.02 -0.52 1.74 -0.62 -4.73 116.66 104.53 3a4d n ARG 103 Ca 0.09 0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.91 3a4d n ARG 103 Cb 0.53 -1.58 -0.16 0.00 -1.02 0.00 0.00 32.46 30.23 3a4d n ARG 103 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3a4d s ARG 104 N -3.13 1.97 -0.16 5.56 0.52 -0.39 -4.74 118.95 118.57 3a4d s ARG 104 Ca 0.06 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 3a4d s ARG 104 Cb 0.15 -1.75 0.01 0.00 0.52 0.00 0.00 34.95 33.88 3a4d s ARG 104 CO 0.77 0.35 -0.17 0.71 0.02 0.00 0.00 175.30 176.97 3a4d s TYR 105 N -0.19 2.76 -0.21 -0.53 1.51 -0.22 -1.25 117.35 119.22 3a4d s TYR 105 Ca 0.00 -1.27 -0.03 0.00 -1.01 0.00 0.00 57.07 54.77 3a4d s TYR 105 Cb -0.11 -1.89 -0.00 0.00 -0.11 0.00 0.00 41.96 39.84 3a4d s TYR 105 CO 0.02 -0.60 -0.07 0.99 -1.11 0.00 0.00 175.55 174.77 3a4d s THR 106 N 0.99 3.16 -0.37 -0.71 2.01 -0.18 -0.94 115.64 119.59 3a4d s THR 106 Ca -0.02 -0.57 -0.16 0.00 0.31 0.00 0.00 61.69 61.25 3a4d s THR 106 Cb -0.15 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.94 3a4d s THR 106 CO -0.04 0.45 0.41 -0.63 -0.69 0.00 0.00 174.62 174.12 3a4d s ILE 107 N 1.40 5.11 0.00 1.82 -1.09 -0.30 -0.66 121.20 127.48 3a4d s ILE 107 Ca 0.05 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 3a4d s ILE 107 Cb -0.14 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 3a4d s ILE 107 CO -0.04 -0.23 0.07 0.00 -1.23 0.00 0.00 174.94 173.50 3a4d s ALA 108 N 2.13 3.53 0.01 9.38 0.00 -0.30 -0.85 121.76 135.66 3a4d s ALA 108 Ca 0.13 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 3a4d s ALA 108 Cb -0.17 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 3a4d s ALA 108 CO 0.13 0.69 -0.00 0.00 0.00 0.00 0.00 175.76 176.57 3a4d s ALA 109 N -1.19 0.03 -0.11 0.00 0.00 -0.39 -1.50 121.76 118.60 3a4d s ALA 109 Ca 0.23 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.95 3a4d s ALA 109 Cb -0.12 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3a4d s ALA 109 CO 0.14 -0.08 -0.14 -1.17 0.00 0.00 0.00 175.76 174.51 3a4d s LEU 110 N -0.68 1.63 -0.10 0.00 2.96 -0.39 -1.00 118.68 121.11 3a4d s LEU 110 Ca -0.07 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3a4d s LEU 110 Cb -0.05 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 3a4d s LEU 110 CO -0.00 -0.01 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.10 3a4d s LEU 111 N 1.13 2.62 0.28 -0.68 1.43 -0.04 -1.55 118.68 121.86 3a4d s LEU 111 Ca -0.04 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3a4d s LEU 111 Cb -0.14 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 3a4d s LEU 111 CO -0.03 0.23 -0.03 -0.44 0.23 0.00 0.00 176.35 176.31 3a4d s SER 112 N -0.03 2.52 0.24 2.29 0.01 0.26 -0.66 113.70 118.32 3a4d s SER 112 Ca -0.04 -1.22 -0.05 0.00 1.31 0.00 0.00 55.95 55.94 3a4d s SER 112 Cb -0.14 -0.12 0.33 0.00 0.21 0.00 0.00 66.02 66.30 3a4d s SER 112 CO 0.04 -0.42 1.86 -0.65 0.41 0.00 0.00 173.24 174.48 3a4d h PRO 113 N 2.29 0.96 -0.43 12.44 0.11 -1.97 -3.05 132.00 142.36 3a4d h PRO 113 Ca -0.40 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3a4d h PRO 113 Cb 1.23 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3a4d h PRO 113 CO 0.67 0.64 0.00 0.66 -0.21 0.00 0.00 178.00 179.76 3a4d n TYR 114 N -4.61 0.67 -3.65 0.65 4.02 -1.26 -0.76 117.16 112.22 3a4d n TYR 114 Ca 0.12 -0.54 -0.15 0.00 -0.01 0.00 0.00 57.90 57.33 3a4d n TYR 114 Cb 0.17 -0.06 -0.08 0.00 -0.02 0.00 0.00 39.34 39.35 3a4d n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3a4d s SER 115 N -1.08 -0.55 0.05 7.72 0.15 -1.15 -4.95 113.70 113.89 3a4d s SER 115 Ca 0.31 0.88 -0.09 0.00 0.70 0.00 0.00 55.95 57.76 3a4d s SER 115 Cb 0.18 0.88 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 3a4d s SER 115 CO 0.19 -0.34 0.18 -0.72 1.20 0.00 0.00 173.24 173.75 3a4d s TYR 116 N -0.33 0.10 0.23 3.44 -0.85 -1.26 -0.58 117.35 118.11 3a4d s TYR 116 Ca -0.05 -0.38 0.11 0.00 -0.52 0.00 0.00 57.07 56.24 3a4d s TYR 116 Cb -0.03 -0.05 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 3a4d s TYR 116 CO 0.04 -0.45 -0.21 -1.54 -1.52 0.00 0.00 175.55 171.87 3a4d s SER 117 N -2.27 3.42 -0.01 -0.18 1.04 -0.60 -4.97 113.70 110.14 3a4d s SER 117 Ca -0.03 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.44 3a4d s SER 117 Cb 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.86 3a4d s SER 117 CO -0.06 0.06 0.03 0.28 0.98 0.00 0.00 173.24 174.54 3a4d s THR 118 N -2.14 -0.00 -0.01 2.02 -1.32 -1.26 -1.26 115.64 111.66 3a4d s THR 118 Ca 0.25 0.01 0.03 0.00 -1.21 0.00 0.00 61.69 60.77 3a4d s THR 118 Cb -0.06 -0.06 -0.00 0.00 -1.51 0.00 0.00 72.50 70.87 3a4d s THR 118 CO 0.12 0.00 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.55 3a4d s THR 119 N 0.07 0.74 -0.20 5.08 2.01 -0.56 -4.98 115.64 117.79 3a4d s THR 119 Ca -0.00 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 3a4d s THR 119 Cb -0.01 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 3a4d s THR 119 CO -0.00 0.22 0.13 0.00 -0.69 0.00 0.00 174.62 174.27 3a4d s ALA 120 N -0.11 3.63 -0.25 7.40 0.00 -1.26 -1.15 121.76 130.03 3a4d s ALA 120 Ca 0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 3a4d s ALA 120 Cb -0.05 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.93 3a4d s ALA 120 CO -0.00 0.10 -0.04 0.08 0.00 0.00 0.00 175.76 175.89 3a4d s VAL 121 N 0.49 3.04 -0.21 0.00 1.01 0.17 -4.96 120.40 119.93 3a4d s VAL 121 Ca 0.07 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3a4d s VAL 121 Cb -0.12 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.78 3a4d s VAL 121 CO -0.01 0.21 -0.14 -0.69 0.00 0.00 0.00 175.10 174.48 3a4d s VAL 122 N 1.36 1.97 0.29 2.92 1.01 -1.26 -1.01 120.40 125.68 3a4d s VAL 122 Ca 0.01 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.83 3a4d s VAL 122 Cb -0.16 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3a4d s VAL 122 CO -0.04 0.24 0.16 0.42 0.00 0.00 0.00 175.10 175.88 3a4d s THR 123 N 1.26 0.31 -2.08 3.92 -4.23 -0.38 -4.84 115.64 109.60 3a4d s THR 123 Ca -0.02 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.81 3a4d s THR 123 Cb -0.16 -2.52 0.85 0.00 1.34 0.00 0.00 72.50 72.01 3a4d s THR 123 CO -0.09 0.00 2.15 0.59 -0.54 0.00 0.00 174.62 176.74