#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 0.10 -3.63 0.00 -0.04 -1.26 -4.72 135.00 125.45 3a4d n PRO 11 Ca 0.00 0.07 -0.15 0.00 -0.04 0.00 0.00 63.50 63.37 3a4d n PRO 11 Cb 0.00 -1.60 -0.14 0.00 -0.04 0.00 0.00 33.50 31.72 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 -3.53 -0.19 0.06 1.53 2.96 -1.25 -0.29 118.68 117.97 3a4d s LEU 12 Ca 0.12 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 3a4d s LEU 12 Cb 0.16 0.50 -0.03 0.00 0.50 0.00 0.00 46.19 47.32 3a4d s LEU 12 CO 0.59 -0.26 -0.06 0.00 -1.32 0.00 0.00 176.35 175.30 3a4d s MET 13 N 2.36 0.64 -0.05 1.98 0.23 -0.35 -4.38 119.30 119.73 3a4d s MET 13 Ca 0.03 -1.03 0.04 0.00 -1.03 0.00 0.00 55.69 53.70 3a4d s MET 13 Cb -0.13 -0.17 0.00 0.00 -1.53 0.00 0.00 34.83 33.00 3a4d s MET 13 CO -0.08 -0.00 -0.16 0.08 -2.03 0.00 0.00 175.02 172.82 3a4d s VAL 14 N -2.55 1.40 -0.06 5.16 1.01 -0.92 -0.79 120.40 123.64 3a4d s VAL 14 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3a4d s VAL 14 Cb -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3a4d s VAL 14 CO -0.03 0.41 -0.17 -0.75 0.00 0.00 0.00 175.10 174.56 3a4d s LYS 15 N 0.19 2.02 -0.06 2.72 2.20 0.12 -0.74 119.74 126.19 3a4d s LYS 15 Ca -0.07 -0.59 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 3a4d s LYS 15 Cb -0.13 -1.65 0.01 0.00 -1.51 0.00 0.00 37.83 34.55 3a4d s LYS 15 CO 0.03 0.14 -0.11 0.08 -0.36 0.00 0.00 175.35 175.13 3a4d s VAL 16 N 0.35 1.03 0.09 4.02 1.01 0.96 -0.88 120.40 126.98 3a4d s VAL 16 Ca -0.11 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3a4d s VAL 16 Cb -0.15 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3a4d s VAL 16 CO 0.04 0.33 -0.14 -0.76 0.00 0.00 0.00 175.10 174.57 3a4d s LEU 17 N 0.68 2.84 -0.40 3.92 1.43 -0.23 -1.13 118.68 125.79 3a4d s LEU 17 Ca -0.14 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 3a4d s LEU 17 Cb -0.15 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3a4d s LEU 17 CO 0.03 0.20 0.27 -0.62 0.23 0.00 0.00 176.35 176.47 3a4d s ASP 18 N -1.97 6.02 0.28 2.29 -1.08 0.67 -0.71 116.67 122.17 3a4d s ASP 18 Ca 0.18 -0.90 0.25 0.00 -0.52 0.00 0.00 52.55 51.57 3a4d s ASP 18 Cb -0.11 -2.13 0.92 0.00 -1.46 0.00 0.00 42.92 40.15 3a4d s ASP 18 CO 0.10 -0.42 1.75 0.00 0.52 0.00 0.00 175.17 177.12 3a4d h ALA 19 N 8.58 1.00 0.00 3.66 0.00 -1.22 0.09 119.26 131.37 3a4d h ALA 19 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3a4d h ALA 19 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3a4d h ALA 19 CO 0.71 0.00 -0.08 0.28 0.00 0.00 0.00 179.25 180.16 3a4d h VAL 20 N 0.00 1.63 0.00 0.00 2.07 -1.94 -3.38 116.25 114.63 3a4d h VAL 20 Ca 0.00 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.55 3a4d h VAL 20 Cb 0.54 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3a4d h VAL 20 CO 0.00 0.52 -1.07 0.54 0.02 0.00 0.00 177.57 177.58 3a4d n ARG 21 N -4.63 0.28 -2.96 1.57 1.74 -1.22 -4.99 116.66 106.45 3a4d n ARG 21 Ca -0.10 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.85 3a4d n ARG 21 Cb 0.44 -1.58 0.06 0.00 -1.02 0.00 0.00 32.46 30.36 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 1.37 -0.50 3.46 -0.13 0.00 -0.00 -5.04 105.19 104.34 3a4d n GLY 22 Ca 0.02 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.60 -0.16 0.66 1.61 1.04 -1.08 -5.00 113.70 107.17 3a4d s SER 23 Ca 0.22 -0.61 -0.17 0.00 0.48 0.00 0.00 55.95 55.87 3a4d s SER 23 Cb -0.03 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 3a4d s SER 23 CO 0.57 -1.00 1.21 -0.81 0.98 0.00 0.00 173.24 174.20 3a4d n PRO 24 N -0.29 0.95 -3.36 4.02 -0.04 -1.26 -0.23 135.00 134.78 3a4d n PRO 24 Ca -0.09 0.38 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 3a4d n PRO 24 Cb 0.63 -2.44 -0.09 0.00 -0.04 0.00 0.00 33.50 31.55 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 -1.50 3.45 0.01 0.55 0.00 -0.28 -4.50 121.76 119.48 3a4d s ALA 25 Ca 0.80 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 3a4d s ALA 25 Cb -0.38 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 3a4d s ALA 25 CO 0.43 -1.43 0.28 0.96 0.00 0.00 0.00 175.76 176.00 3a4d s ILE 26 N 2.04 5.27 -1.26 0.00 -4.36 -1.26 -4.30 121.20 117.33 3a4d s ILE 26 Ca 0.11 0.24 -0.03 0.00 -0.26 0.00 0.00 60.65 60.71 3a4d s ILE 26 Cb -0.17 -3.57 0.00 0.00 1.25 0.00 0.00 42.46 39.97 3a4d s ILE 26 CO 0.13 0.38 0.39 0.59 0.24 0.00 0.00 174.94 176.67 3a4d n ASN 27 N 1.19 -5.11 -4.70 4.36 4.13 0.21 -4.93 115.26 110.40 3a4d n ASN 27 Ca -0.12 -0.19 -0.40 0.00 1.68 0.00 0.00 54.58 55.56 3a4d n ASN 27 Cb 0.53 -4.01 -0.05 0.00 -1.54 0.00 0.00 39.78 34.71 3a4d n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3a4d s VAL 28 N -3.00 5.05 0.30 2.41 1.01 -1.26 -4.72 120.40 120.19 3a4d s VAL 28 Ca 0.19 1.32 -0.28 0.00 0.00 0.00 0.00 61.98 63.21 3a4d s VAL 28 Cb -0.09 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3a4d s VAL 28 CO 0.24 0.21 1.01 0.00 0.00 0.00 0.00 175.10 176.56 3a4d s ALA 29 N 1.16 3.28 -0.04 5.51 0.00 -1.26 -0.49 121.76 129.92 3a4d s ALA 29 Ca 0.33 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3a4d s ALA 29 Cb -0.17 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.73 3a4d s ALA 29 CO 0.14 0.00 -0.01 0.08 0.00 0.00 0.00 175.76 175.98 3a4d s VAL 30 N -1.37 0.29 -0.08 0.00 1.01 0.54 -1.13 120.40 119.67 3a4d s VAL 30 Ca 0.47 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.53 3a4d s VAL 30 Cb -0.25 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 3a4d s VAL 30 CO 0.32 0.17 -0.23 -1.00 0.00 0.00 0.00 175.10 174.37 3a4d s HIS 31 N 1.04 2.34 -0.07 5.22 3.76 0.33 -1.21 115.29 126.70 3a4d s HIS 31 Ca -0.09 -0.85 0.01 0.00 -0.15 0.00 0.00 55.06 53.98 3a4d s HIS 31 Cb -0.14 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 3a4d s HIS 31 CO -0.01 -0.32 -0.09 0.08 -0.85 0.00 0.00 174.74 173.54 3a4d s VAL 32 N 0.18 3.47 0.16 -0.90 1.01 0.81 -0.06 120.40 125.06 3a4d s VAL 32 Ca -0.12 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.37 3a4d s VAL 32 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3a4d s VAL 32 CO 0.06 0.59 -0.15 -0.36 0.00 0.00 0.00 175.10 175.24 3a4d s PHE 33 N -0.66 1.59 -0.04 5.22 0.40 0.47 0.02 117.98 124.98 3a4d s PHE 33 Ca 0.10 -0.55 0.04 0.00 -0.60 0.00 0.00 56.93 55.92 3a4d s PHE 33 Cb -0.11 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.62 3a4d s PHE 33 CO 0.01 0.25 -0.15 0.50 0.70 0.00 0.00 175.22 176.53 3a4d s ARG 34 N -3.00 1.66 0.07 0.44 3.52 0.17 -0.31 118.95 121.50 3a4d s ARG 34 Ca 0.15 -0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 54.90 3a4d s ARG 34 Cb -0.04 -1.44 -0.07 0.00 -1.56 0.00 0.00 34.95 31.84 3a4d s ARG 34 CO 0.05 0.19 1.47 0.21 -0.81 0.00 0.00 175.30 176.41 3a4d s LYS 35 N 0.17 4.27 0.51 5.12 2.20 0.20 -0.88 119.74 131.33 3a4d s LYS 35 Ca -0.06 2.13 -0.08 0.00 -0.36 0.00 0.00 55.97 57.61 3a4d s LYS 35 Cb -0.12 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3a4d s LYS 35 CO 0.02 -0.57 0.86 0.00 -0.36 0.00 0.00 175.35 175.30 3a4d s ALA 36 N 1.88 3.30 0.12 3.13 0.00 0.94 -4.70 121.76 126.43 3a4d s ALA 36 Ca 0.67 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 3a4d s ALA 36 Cb -0.37 -2.75 0.16 0.00 0.00 0.00 0.00 23.12 20.16 3a4d s ALA 36 CO 0.30 -0.40 0.77 0.00 0.00 0.00 0.00 175.76 176.42 3a4d n ALA 37 N -2.27 -0.00 1.99 0.00 0.00 -1.26 0.23 120.51 119.19 3a4d n ALA 37 Ca 0.02 0.51 0.09 0.00 0.00 0.00 0.00 53.44 54.07 3a4d n ALA 37 Cb 0.55 -0.26 0.56 0.00 0.00 0.00 0.00 19.45 20.30 3a4d n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3a4d n ASP 38 N -4.76 0.00 0.00 0.00 5.75 -1.26 -4.93 116.55 111.35 3a4d n ASP 38 Ca 0.06 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 3a4d n ASP 38 Cb 0.21 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3a4d n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3a4d n ASP 39 N -0.79 0.00 -4.90 -1.12 4.64 0.14 -5.06 116.55 109.45 3a4d n ASP 39 Ca 0.14 0.00 -0.28 0.00 -1.38 0.00 0.00 54.79 53.27 3a4d n ASP 39 Cb 0.06 0.00 0.02 0.00 -1.04 0.00 0.00 41.12 40.16 3a4d n ASP 39 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 3a4d s THR 40 N -3.23 4.24 -0.50 5.18 -4.23 -1.26 -4.64 115.64 111.20 3a4d s THR 40 Ca 0.00 0.34 -0.24 0.00 -1.18 0.00 0.00 61.69 60.61 3a4d s THR 40 Cb 0.00 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.20 3a4d s THR 40 CO 0.00 -0.76 0.89 0.26 -0.54 0.00 0.00 174.62 174.46 3a4d s TRP 41 N -3.02 2.89 0.04 3.99 0.52 -1.26 -0.04 118.94 122.04 3a4d s TRP 41 Ca 0.53 0.12 -0.19 0.00 0.02 0.00 0.00 56.10 56.58 3a4d s TRP 41 Cb -0.11 -3.93 -0.06 0.00 -1.15 0.00 0.00 33.47 28.23 3a4d s TRP 41 CO 0.48 -1.18 0.56 -1.21 0.02 0.00 0.00 176.95 175.62 3a4d s GLU 42 N 3.69 4.22 0.17 4.98 0.41 -0.06 -4.81 118.70 127.30 3a4d s GLU 42 Ca 0.32 0.70 -0.34 0.00 -0.41 0.00 0.00 54.97 55.24 3a4d s GLU 42 Cb -0.12 -3.28 -0.14 0.00 -1.78 0.00 0.00 34.13 28.82 3a4d s GLU 42 CO 0.22 0.54 1.53 -2.30 -0.49 0.00 0.00 175.26 174.76 3a4d n PRO 43 N 2.11 2.06 -0.02 0.39 -0.02 -1.26 -0.66 135.00 137.60 3a4d n PRO 43 Ca -0.09 0.74 -0.04 0.00 -2.02 0.00 0.00 63.50 62.09 3a4d n PRO 43 Cb 0.51 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 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 3.06 0.00 -3.53 6.00 7.35 0.10 -4.79 117.46 125.66 3a4d n PHE 44 Ca 0.16 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.77 3a4d n PHE 44 Cb 0.29 -0.17 -0.02 0.00 0.35 0.00 0.00 39.48 39.93 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 -2.09 -1.81 0.17 3.13 0.00 -0.83 -5.00 121.76 115.33 3a4d s ALA 45 Ca -0.06 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 3a4d s ALA 45 Cb 0.02 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.59 3a4d s ALA 45 CO 0.09 -0.73 0.41 -1.54 0.00 0.00 0.00 175.76 174.00 3a4d s SER 46 N -2.53 -0.14 -0.01 0.00 1.04 -1.26 -0.13 113.70 110.66 3a4d s SER 46 Ca 0.06 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.79 3a4d s SER 46 Cb -0.01 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.65 3a4d s SER 46 CO -0.08 -0.96 0.49 0.61 0.98 0.00 0.00 173.24 174.29 3a4d n GLY 47 N -0.27 0.44 3.28 7.32 0.00 -0.35 -4.96 105.19 110.64 3a4d n GLY 47 Ca -0.10 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.00 1.43 0.64 1.61 1.02 -1.26 -0.34 119.74 120.85 3a4d s LYS 48 Ca 0.12 -1.02 -0.16 0.00 0.02 0.00 0.00 55.97 54.92 3a4d s LYS 48 Cb -0.00 -1.60 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 3a4d s LYS 48 CO -0.00 0.40 1.15 0.95 -0.92 0.00 0.00 175.35 176.93 3a4d s THR 49 N -0.86 2.89 0.00 2.17 -4.23 0.35 -4.73 115.64 111.24 3a4d s THR 49 Ca 0.08 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 3a4d s THR 49 Cb -0.09 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3a4d s THR 49 CO 0.02 -0.21 0.00 -1.54 -0.54 0.00 0.00 174.62 172.36 3a4d n SER 50 N -2.15 0.00 0.26 3.99 3.41 0.35 -0.62 113.62 118.85 3a4d n SER 50 Ca 0.12 -0.46 0.10 0.00 -0.26 0.00 0.00 58.87 58.37 3a4d n SER 50 Cb 0.51 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 65.14 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 -0.20 4.33 4.39 -1.94 0.06 114.58 121.21 3a4d h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3a4d h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3a4d h GLU 51 CO 0.00 0.11 0.00 -1.13 -1.16 0.00 0.00 179.01 176.83 3a4d n SER 52 N -3.99 1.77 -0.07 1.42 3.41 -1.26 -4.78 113.62 110.12 3a4d n SER 52 Ca -0.02 -1.76 -0.01 0.00 -0.26 0.00 0.00 58.87 56.82 3a4d n SER 52 Cb 0.20 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.14 0.48 3.72 5.00 0.00 0.01 -4.76 105.19 110.78 3a4d n GLY 53 Ca 0.16 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.87 2.72 -0.19 1.61 2.02 -1.26 -0.03 118.70 122.71 3a4d s GLU 54 Ca 0.00 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 3a4d s GLU 54 Cb 0.00 -2.64 0.05 0.00 0.10 0.00 0.00 34.13 31.64 3a4d s GLU 54 CO 0.00 0.57 -0.04 -1.17 0.02 0.00 0.00 175.26 174.64 3a4d s LEU 55 N -2.19 1.81 0.28 1.80 2.96 0.08 -0.49 118.68 122.93 3a4d s LEU 55 Ca 0.26 -0.84 0.11 0.00 -0.22 0.00 0.00 54.13 53.43 3a4d s LEU 55 Cb -0.12 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 3a4d s LEU 55 CO 0.18 -0.22 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.89 3a4d s HIS 56 N 1.60 2.48 0.00 5.38 3.76 -1.26 -2.16 115.29 125.10 3a4d s HIS 56 Ca -0.01 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 3a4d s HIS 56 Cb -0.17 -1.13 0.00 0.00 1.11 0.00 0.00 32.58 32.40 3a4d s HIS 56 CO -0.07 0.65 0.00 0.41 -0.85 0.00 0.00 174.74 174.88 3a4d n GLY 57 N -0.77 0.52 0.32 -2.22 0.00 -1.26 -4.93 105.19 96.85 3a4d n GLY 57 Ca -0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 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 0.85 0.00 0.99 3.38 -1.87 -3.47 115.31 115.19 3a4d h LEU 58 Ca 0.00 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3a4d h LEU 58 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3a4d h LEU 58 CO 0.00 0.78 -0.00 1.07 0.09 0.00 0.00 178.44 180.37 3a4d n THR 59 N -4.30 0.00 -4.28 0.22 5.66 -1.26 -4.79 114.28 105.53 3a4d n THR 59 Ca 0.05 -0.58 -0.17 0.00 -3.05 0.00 0.00 64.05 60.30 3a4d n THR 59 Cb 0.19 0.40 -0.10 0.00 -1.55 0.00 0.00 70.33 69.26 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 -2.61 1.44 0.37 1.09 -4.23 -1.26 -4.64 115.64 105.80 3a4d s THR 60 Ca 0.09 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 58.74 3a4d s THR 60 Cb -0.01 -1.79 0.33 0.00 1.34 0.00 0.00 72.50 72.37 3a4d s THR 60 CO 0.07 -0.55 1.89 -0.08 -0.54 0.00 0.00 174.62 175.40 3a4d h GLU 61 N 3.02 0.61 -0.38 3.99 4.81 -1.99 -0.70 114.58 123.94 3a4d h GLU 61 Ca -0.39 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 3a4d h GLU 61 Cb 1.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3a4d h GLU 61 CO 0.57 0.40 0.08 1.49 -0.73 0.00 0.00 179.01 180.83 3a4d h GLU 62 N 0.63 0.62 0.00 1.92 4.81 -2.04 -3.18 114.58 117.34 3a4d h GLU 62 Ca 0.42 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 59.33 3a4d h GLU 62 Cb 0.73 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3a4d h GLU 62 CO -0.18 0.66 -0.96 1.49 -0.73 0.00 0.00 179.01 179.29 3a4d h GLU 63 N 0.47 0.00 -4.22 1.92 4.81 -1.87 -3.39 114.58 112.30 3a4d h GLU 63 Ca 0.12 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.63 3a4d h GLU 63 Cb 0.33 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.62 3a4d h GLU 63 CO 0.00 0.63 2.57 0.34 -0.73 0.00 0.00 179.01 181.82 3a4d n PHE 64 N -3.19 3.67 -2.32 0.92 7.35 -0.31 -4.96 117.46 118.63 3a4d n PHE 64 Ca -0.03 -2.94 -0.26 0.00 -0.76 0.00 0.00 57.45 53.46 3a4d n PHE 64 Cb 0.86 -2.38 0.14 0.00 0.35 0.00 0.00 39.48 38.44 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 2.50 2.07 0.45 -2.13 -7.23 -1.26 -4.94 120.40 109.87 3a4d s VAL 65 Ca 0.46 -0.35 -0.23 0.00 -1.81 0.00 0.00 61.98 60.05 3a4d s VAL 65 Cb 0.10 -2.72 -0.09 0.00 0.56 0.00 0.00 36.38 34.22 3a4d s VAL 65 CO -0.03 0.00 1.01 -0.62 -0.31 0.00 0.00 175.10 175.15 3a4d n GLU 66 N -3.22 1.30 -3.68 4.82 1.02 -1.26 -4.80 120.64 114.82 3a4d n GLU 66 Ca 0.15 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3a4d n GLU 66 Cb 0.60 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 3a4d n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a4d n GLY 67 N 1.19 -1.78 3.65 0.62 0.00 -1.09 -5.00 105.19 102.79 3a4d n GLY 67 Ca 0.10 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.57 4.58 0.15 -0.61 1.01 -1.26 -1.07 121.20 121.42 3a4d s ILE 68 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.62 3a4d s ILE 68 Cb 0.00 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3a4d s ILE 68 CO 0.00 0.52 -0.21 -0.31 0.00 0.00 0.00 174.94 174.94 3a4d s TYR 69 N -0.12 1.97 -0.10 3.97 1.51 0.02 -0.63 117.35 123.98 3a4d s TYR 69 Ca 0.06 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.70 3a4d s TYR 69 Cb -0.12 -1.02 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 3a4d s TYR 69 CO 0.02 0.33 -0.08 0.21 -1.11 0.00 0.00 175.55 174.92 3a4d s LYS 70 N -2.42 1.45 -0.39 -0.62 2.20 0.57 -1.34 119.74 119.19 3a4d s LYS 70 Ca 0.14 -0.24 -0.13 0.00 -0.36 0.00 0.00 55.97 55.37 3a4d s LYS 70 Cb -0.08 -1.48 0.02 0.00 -1.51 0.00 0.00 37.83 34.78 3a4d s LYS 70 CO 0.07 -0.22 0.26 0.08 -0.36 0.00 0.00 175.35 175.18 3a4d s VAL 71 N 1.53 4.98 -0.23 4.02 1.01 0.01 -0.40 120.40 131.32 3a4d s VAL 71 Ca 0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3a4d s VAL 71 Cb -0.13 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3a4d s VAL 71 CO -0.06 -0.27 0.08 -0.70 0.00 0.00 0.00 175.10 174.15 3a4d s GLU 72 N 1.63 3.77 -0.23 2.72 2.12 0.91 -0.73 118.70 128.88 3a4d s GLU 72 Ca 0.04 -0.43 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 3a4d s GLU 72 Cb -0.19 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 3a4d s GLU 72 CO 0.09 -0.07 0.02 0.42 -0.54 0.00 0.00 175.26 175.18 3a4d s ILE 73 N 1.31 3.98 -1.30 -3.70 1.01 0.87 -0.52 121.20 122.85 3a4d s ILE 73 Ca 0.05 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 3a4d s ILE 73 Cb -0.15 -2.83 0.10 0.00 0.01 0.00 0.00 42.46 39.59 3a4d s ILE 73 CO 0.04 0.38 1.76 0.47 0.00 0.00 0.00 174.94 177.59 3a4d n ASP 74 N 4.74 4.84 0.09 3.58 8.00 -0.28 -0.95 116.55 136.57 3a4d n ASP 74 Ca -0.17 -2.93 -0.05 0.00 0.71 0.00 0.00 54.79 52.35 3a4d n ASP 74 Cb 0.51 -1.67 -0.02 0.00 -0.02 0.00 0.00 41.12 39.92 3a4d n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3a4d h THR 75 N 4.95 1.61 -0.34 -3.53 1.35 -1.88 -3.16 112.91 111.92 3a4d h THR 75 Ca 0.44 -2.97 -0.02 0.00 -0.55 0.00 0.00 66.41 63.31 3a4d h THR 75 Cb 0.81 2.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.82 3a4d h THR 75 CO 1.49 0.85 0.14 0.50 -0.25 0.00 0.00 175.52 178.25 3a4d h LYS 76 N 0.00 0.51 -0.89 4.72 3.64 -1.71 -2.07 116.57 120.77 3a4d h LYS 76 Ca -0.01 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3a4d h LYS 76 Cb 1.54 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.23 3a4d h LYS 76 CO 0.11 0.50 0.54 0.77 -2.27 0.00 0.00 179.45 179.09 3a4d h SER 77 N 0.40 1.07 0.30 4.20 0.02 -1.84 -1.17 113.55 116.53 3a4d h SER 77 Ca 0.11 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3a4d h SER 77 Cb 0.17 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3a4d h SER 77 CO -0.01 0.82 -0.36 0.22 -1.14 0.00 0.00 176.83 176.35 3a4d h TYR 78 N 1.22 -0.99 -0.72 3.45 3.20 -1.45 -1.65 116.97 120.03 3a4d h TYR 78 Ca 0.32 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 3a4d h TYR 78 Cb -0.05 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3a4d h TYR 78 CO 0.01 -0.50 0.20 -1.49 -1.64 0.00 0.00 178.16 174.74 3a4d h TRP 79 N -0.71 1.18 -0.78 -3.82 4.06 -1.22 -2.96 115.95 111.71 3a4d h TRP 79 Ca -0.01 -0.13 -0.04 0.00 2.06 0.00 0.00 58.89 60.77 3a4d h TRP 79 Cb 0.66 -0.34 -0.04 0.00 -1.00 0.00 0.00 29.16 28.45 3a4d h TRP 79 CO -0.24 0.94 0.34 0.87 -3.56 0.00 0.00 178.44 176.80 3a4d h LYS 80 N 1.08 1.13 0.00 0.49 1.57 -0.93 -1.42 116.57 118.50 3a4d h LYS 80 Ca 0.23 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3a4d h LYS 80 Cb 0.34 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3a4d h LYS 80 CO -0.00 0.89 -0.16 0.00 -0.57 0.00 0.00 179.45 179.61 3a4d h ALA 81 N 1.26 1.15 -0.17 3.86 0.00 -1.20 -0.76 119.26 123.39 3a4d h ALA 81 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3a4d h ALA 81 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3a4d h ALA 81 CO -0.03 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.71 3a4d n LEU 82 N -3.50 1.01 0.00 0.00 4.77 -0.76 -4.94 117.00 113.58 3a4d n LEU 82 Ca -0.01 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3a4d n LEU 82 Cb 0.32 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3a4d n LEU 82 CO 0.31 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3a4d n GLY 83 N 0.85 0.63 3.60 -0.72 0.00 -0.29 -5.04 105.19 104.22 3a4d n GLY 83 Ca 0.09 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 4.16 -0.59 -0.61 1.01 -0.61 -4.99 121.20 117.58 3a4d s ILE 84 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 3a4d s ILE 84 Cb 0.00 -2.79 0.10 0.00 0.01 0.00 0.00 42.46 39.78 3a4d s ILE 84 CO 0.00 0.54 0.70 -0.44 0.00 0.00 0.00 174.94 175.74 3a4d s SER 85 N -0.22 6.19 0.77 3.58 0.01 -1.26 -2.55 113.70 120.21 3a4d s SER 85 Ca 0.05 -1.39 -0.07 0.00 1.31 0.00 0.00 55.95 55.84 3a4d s SER 85 Cb -0.13 -2.30 0.11 0.00 0.21 0.00 0.00 66.02 63.92 3a4d s SER 85 CO 0.02 -1.10 1.08 -2.16 0.41 0.00 0.00 173.24 171.49 3a4d s PRO 86 N 2.68 1.68 -0.09 12.44 0.04 -1.26 -5.00 135.00 145.48 3a4d s PRO 86 Ca 0.12 -0.53 -0.25 0.00 0.04 0.00 0.00 61.00 60.37 3a4d s PRO 86 Cb -0.24 -2.14 -0.29 0.00 0.04 0.00 0.00 34.50 31.88 3a4d s PRO 86 CO 0.07 -1.58 0.83 0.35 0.04 0.00 0.00 177.00 176.71 3a4d h PHE 87 N -0.83 0.27 -3.53 0.56 3.57 -1.43 -3.47 116.94 112.08 3a4d h PHE 87 Ca -0.42 -0.20 -0.52 0.00 3.53 0.00 0.00 57.97 60.36 3a4d h PHE 87 Cb 1.28 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 3a4d h PHE 87 CO -0.17 1.15 -0.02 -1.01 -2.23 0.00 0.00 178.31 176.03 3a4d s HIS 88 N -2.33 3.44 0.19 0.41 3.76 -1.26 -4.98 115.29 114.51 3a4d s HIS 88 Ca -0.16 1.05 -0.04 0.00 -0.15 0.00 0.00 55.06 55.76 3a4d s HIS 88 Cb -0.01 -2.39 0.10 0.00 1.11 0.00 0.00 32.58 31.38 3a4d s HIS 88 CO 0.76 0.23 1.50 0.93 -0.85 0.00 0.00 174.74 177.31 3a4d h GLU 89 N 2.62 0.60 -1.99 1.40 4.39 -1.98 -3.36 114.58 116.25 3a4d h GLU 89 Ca -0.47 -0.37 0.22 0.00 0.34 0.00 0.00 59.36 59.08 3a4d h GLU 89 Cb 1.18 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.75 3a4d h GLU 89 CO 0.67 0.98 0.62 -3.38 -1.16 0.00 0.00 179.01 176.73 3a4d s HIS 90 N -4.04 -0.14 -0.14 4.33 -3.43 -1.26 -3.21 115.29 107.40 3a4d s HIS 90 Ca -0.08 -0.06 -0.10 0.00 -0.80 0.00 0.00 55.06 54.03 3a4d s HIS 90 Cb 0.11 0.59 -0.05 0.00 -1.43 0.00 0.00 32.58 31.80 3a4d s HIS 90 CO 0.84 -0.57 0.19 0.00 -2.00 0.00 0.00 174.74 173.20 3a4d s ALA 91 N -2.93 3.76 -0.12 -1.38 0.00 -0.12 -4.88 121.76 116.09 3a4d s ALA 91 Ca 0.11 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.52 3a4d s ALA 91 Cb 0.01 -2.13 0.01 0.00 0.00 0.00 0.00 23.12 21.00 3a4d s ALA 91 CO -0.02 0.40 -0.22 -1.21 0.00 0.00 0.00 175.76 174.70 3a4d s GLU 92 N -0.42 2.98 -0.18 0.00 2.02 -1.26 -0.09 118.70 121.75 3a4d s GLU 92 Ca 0.14 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.29 3a4d s GLU 92 Cb -0.12 -2.34 0.02 0.00 0.10 0.00 0.00 34.13 31.79 3a4d s GLU 92 CO 0.03 0.07 -0.18 0.08 0.02 0.00 0.00 175.26 175.28 3a4d s VAL 93 N 0.61 2.21 -0.10 2.63 1.01 0.09 -4.96 120.40 121.88 3a4d s VAL 93 Ca -0.12 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 60.99 3a4d s VAL 93 Cb -0.17 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3a4d s VAL 93 CO 0.03 0.53 -0.18 -0.69 0.00 0.00 0.00 175.10 174.79 3a4d s VAL 94 N 1.28 1.64 0.01 2.92 1.01 -1.26 -0.81 120.40 125.18 3a4d s VAL 94 Ca 0.04 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 3a4d s VAL 94 Cb -0.13 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.84 3a4d s VAL 94 CO -0.11 0.47 0.54 0.72 0.00 0.00 0.00 175.10 176.71 3a4d s PHE 95 N 0.72 -0.46 0.15 5.22 -0.71 -0.45 -4.98 117.98 117.48 3a4d s PHE 95 Ca -0.12 0.65 -0.30 0.00 -1.04 0.00 0.00 56.93 56.12 3a4d s PHE 95 Cb -0.16 0.33 -0.07 0.00 -1.21 0.00 0.00 43.02 41.91 3a4d s PHE 95 CO 0.02 -0.60 1.03 0.99 -1.34 0.00 0.00 175.22 175.33 3a4d s THR 96 N -1.88 4.15 0.06 -4.49 2.01 -1.26 -0.80 115.64 113.43 3a4d s THR 96 Ca -0.08 1.83 0.08 0.00 0.31 0.00 0.00 61.69 63.83 3a4d s THR 96 Cb -0.01 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3a4d s THR 96 CO 0.03 0.31 -0.22 0.00 -0.69 0.00 0.00 174.62 174.05 3a4d s ALA 97 N -0.17 1.85 -1.57 7.40 0.00 -0.24 -4.83 121.76 124.20 3a4d s ALA 97 Ca 0.48 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3a4d s ALA 97 Cb -0.27 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3a4d s ALA 97 CO 0.32 0.41 0.00 0.09 0.00 0.00 0.00 175.76 176.58 3a4d n ASN 98 N 1.61 -4.95 0.03 0.00 4.13 -1.26 -2.67 115.26 112.14 3a4d n ASN 98 Ca -0.18 0.18 0.13 0.00 1.68 0.00 0.00 54.58 56.39 3a4d n ASN 98 Cb 0.53 -3.99 0.35 0.00 -1.54 0.00 0.00 39.78 35.14 3a4d n ASN 98 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3a4d n ASP 99 N -0.94 0.46 -1.53 6.41 5.75 -1.26 -2.94 116.55 122.49 3a4d n ASP 99 Ca -0.18 0.17 -0.13 0.00 -0.01 0.00 0.00 54.79 54.64 3a4d n ASP 99 Cb 0.60 -0.13 0.15 0.00 -1.03 0.00 0.00 41.12 40.71 3a4d n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3a4d n SER 100 N -1.77 3.62 0.00 -1.12 7.64 -1.26 -5.08 113.62 115.65 3a4d n SER 100 Ca 0.05 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.15 3a4d n SER 100 Cb 0.38 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3a4d n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a4d n GLY 101 N -1.03 1.98 3.76 0.23 0.00 -1.15 -5.01 105.19 103.96 3a4d n GLY 101 Ca 0.41 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3a4d n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a4d s PRO 102 N -2.30 4.22 0.25 1.61 0.04 -1.26 -4.27 135.00 133.29 3a4d s PRO 102 Ca 0.00 2.40 0.03 0.00 0.04 0.00 0.00 61.00 63.47 3a4d s PRO 102 Cb 0.00 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 3a4d s PRO 102 CO 0.00 -0.45 0.02 1.03 0.04 0.00 0.00 177.00 177.64 3a4d s ARG 103 N -0.90 1.40 -0.16 4.56 1.81 -1.26 -4.51 118.95 119.89 3a4d s ARG 103 Ca 0.58 -1.73 -0.08 0.00 -1.72 0.00 0.00 55.73 52.78 3a4d s ARG 103 Cb -0.44 -0.61 -0.04 0.00 -0.45 0.00 0.00 34.95 33.41 3a4d s ARG 103 CO 0.49 -0.14 0.11 0.50 -0.68 0.00 0.00 175.30 175.58 3a4d s ARG 104 N -3.89 3.80 -0.09 3.54 3.52 -0.24 -4.82 118.95 120.77 3a4d s ARG 104 Ca 0.31 -0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 3a4d s ARG 104 Cb 0.06 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 3a4d s ARG 104 CO 0.11 0.49 -0.17 0.71 -0.81 0.00 0.00 175.30 175.63 3a4d s TYR 105 N -0.22 1.93 -0.20 5.12 2.02 0.60 -1.39 117.35 125.21 3a4d s TYR 105 Ca 0.10 -0.80 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 3a4d s TYR 105 Cb -0.12 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.09 3a4d s TYR 105 CO 0.01 -0.38 -0.11 0.99 -1.57 0.00 0.00 175.55 174.49 3a4d s THR 106 N 0.67 2.80 -0.42 -0.71 2.01 -0.01 -1.21 115.64 118.77 3a4d s THR 106 Ca -0.13 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.03 3a4d s THR 106 Cb -0.16 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.14 3a4d s THR 106 CO 0.04 0.48 0.30 -0.63 -0.69 0.00 0.00 174.62 174.11 3a4d s ILE 107 N 1.38 5.11 -0.02 1.82 -1.09 0.03 -1.18 121.20 127.25 3a4d s ILE 107 Ca 0.05 -0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 57.61 3a4d s ILE 107 Cb -0.14 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 3a4d s ILE 107 CO -0.07 -0.35 0.25 0.00 -1.23 0.00 0.00 174.94 173.53 3a4d s ALA 108 N 1.64 3.85 0.02 9.38 0.00 0.07 -0.70 121.76 136.02 3a4d s ALA 108 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.44 3a4d s ALA 108 Cb -0.20 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 3a4d s ALA 108 CO 0.09 0.64 -0.08 0.00 0.00 0.00 0.00 175.76 176.41 3a4d s ALA 109 N -1.24 0.61 -0.14 0.00 0.00 -0.06 -1.45 121.76 119.48 3a4d s ALA 109 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3a4d s ALA 109 Cb -0.13 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3a4d s ALA 109 CO 0.14 0.09 -0.11 -1.17 0.00 0.00 0.00 175.76 174.71 3a4d s LEU 110 N -0.76 1.55 -0.07 0.00 2.96 -0.20 -1.07 118.68 121.08 3a4d s LEU 110 Ca -0.02 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3a4d s LEU 110 Cb -0.06 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3a4d s LEU 110 CO 0.00 -0.09 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.10 3a4d s LEU 111 N 1.57 3.13 0.18 -0.68 1.43 0.11 -1.68 118.68 122.74 3a4d s LEU 111 Ca 0.04 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3a4d s LEU 111 Cb -0.13 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3a4d s LEU 111 CO -0.10 0.35 -0.03 -0.44 0.23 0.00 0.00 176.35 176.36 3a4d s SER 112 N -0.73 1.62 0.22 2.29 0.01 0.11 -0.72 113.70 116.50 3a4d s SER 112 Ca 0.11 -1.14 -0.07 0.00 1.31 0.00 0.00 55.95 56.16 3a4d s SER 112 Cb -0.11 0.04 0.35 0.00 0.21 0.00 0.00 66.02 66.50 3a4d s SER 112 CO 0.01 -0.47 1.74 -0.65 0.41 0.00 0.00 173.24 174.28 3a4d h PRO 113 N 2.65 0.43 -0.28 12.44 0.11 -1.99 -2.88 132.00 142.48 3a4d h PRO 113 Ca -0.37 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 3a4d h PRO 113 Cb 1.21 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3a4d h PRO 113 CO 0.64 0.28 -0.02 0.66 -0.21 0.00 0.00 178.00 179.35 3a4d n TYR 114 N -4.99 0.94 -3.61 0.65 4.02 -1.26 -1.01 117.16 111.91 3a4d n TYR 114 Ca 0.11 -1.14 -0.13 0.00 -0.01 0.00 0.00 57.90 56.73 3a4d n TYR 114 Cb 0.32 -0.37 -0.07 0.00 -0.02 0.00 0.00 39.34 39.21 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 -2.21 -0.63 0.12 7.72 0.15 -1.09 -4.94 113.70 112.83 3a4d s SER 115 Ca 0.42 1.10 -0.06 0.00 0.70 0.00 0.00 55.95 58.10 3a4d s SER 115 Cb 0.36 1.07 -0.02 0.00 -1.71 0.00 0.00 66.02 65.72 3a4d s SER 115 CO 0.05 -0.30 0.18 -0.72 1.20 0.00 0.00 173.24 173.65 3a4d s TYR 116 N -0.07 0.44 0.13 3.44 -0.85 -1.26 0.04 117.35 119.21 3a4d s TYR 116 Ca -0.02 -0.84 0.06 0.00 -0.52 0.00 0.00 57.07 55.75 3a4d s TYR 116 Cb -0.04 -0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 3a4d s TYR 116 CO 0.01 -0.59 -0.14 -1.54 -1.52 0.00 0.00 175.55 171.77 3a4d s SER 117 N -2.95 2.00 -0.00 -0.18 1.04 -0.68 -4.98 113.70 107.95 3a4d s SER 117 Ca 0.14 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3a4d s SER 117 Cb 0.05 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3a4d s SER 117 CO -0.04 -0.16 0.00 0.28 0.98 0.00 0.00 173.24 174.30 3a4d s THR 118 N -2.25 0.00 -0.00 2.02 -1.32 -1.26 -1.04 115.64 111.79 3a4d s THR 118 Ca 0.10 0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.61 3a4d s THR 118 Cb -0.04 -0.02 -0.00 0.00 -1.51 0.00 0.00 72.50 70.92 3a4d s THR 118 CO 0.03 0.01 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.51 3a4d s THR 119 N 0.11 0.39 -0.13 5.08 2.01 -0.53 -4.99 115.64 117.59 3a4d s THR 119 Ca -0.01 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 3a4d s THR 119 Cb -0.01 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 3a4d s THR 119 CO -0.00 0.11 0.00 0.00 -0.69 0.00 0.00 174.62 174.04 3a4d s ALA 120 N -0.09 3.22 -0.21 7.40 0.00 -1.26 -0.75 121.76 130.06 3a4d s ALA 120 Ca 0.02 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 3a4d s ALA 120 Cb -0.02 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3a4d s ALA 120 CO -0.00 0.39 -0.12 0.08 0.00 0.00 0.00 175.76 176.11 3a4d s VAL 121 N -0.26 2.61 -0.13 0.00 1.01 -0.33 -4.98 120.40 118.33 3a4d s VAL 121 Ca 0.06 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.18 3a4d s VAL 121 Cb -0.12 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3a4d s VAL 121 CO 0.02 0.39 -0.18 -0.69 0.00 0.00 0.00 175.10 174.64 3a4d s VAL 122 N 1.34 1.79 0.16 2.92 1.01 -1.26 -0.83 120.40 125.52 3a4d s VAL 122 Ca 0.03 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3a4d s VAL 122 Cb -0.15 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3a4d s VAL 122 CO -0.08 0.50 -0.11 0.42 0.00 0.00 0.00 175.10 175.82 3a4d s THR 123 N 0.96 1.31 -0.40 3.92 -4.23 -0.49 -4.98 115.64 111.73 3a4d s THR 123 Ca -0.05 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.27 3a4d s THR 123 Cb -0.15 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 71.87 3a4d s THR 123 CO -0.03 -0.69 0.25 0.21 -0.54 0.00 0.00 174.62 173.82 3a4d s ASN 124 N -3.16 5.78 0.00 3.99 3.84 -1.26 -1.08 114.94 123.05 3a4d s ASN 124 Ca 0.18 -1.19 0.00 0.00 0.21 0.00 0.00 52.86 52.05 3a4d s ASN 124 Cb 0.01 -2.04 0.00 0.00 -0.55 0.00 0.00 41.25 38.67 3a4d s ASN 124 CO 0.02 -0.47 0.41 -0.81 -2.79 0.00 0.00 177.10 173.46