#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2t n PRO 11 N 0.00 0.10 -3.63 0.00 -0.04 -1.26 -4.70 135.00 125.47 3d2t n PRO 11 Ca 0.00 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 3d2t n PRO 11 Cb 0.00 -1.63 -0.16 0.00 -0.04 0.00 0.00 33.50 31.67 3d2t n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3d2t s LEU 12 N -3.61 0.10 0.15 1.53 2.96 -1.26 -0.64 118.68 117.91 3d2t s LEU 12 Ca 0.12 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 3d2t s LEU 12 Cb 0.16 0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.82 3d2t s LEU 12 CO 0.54 -0.29 -0.13 0.00 -1.32 0.00 0.00 176.35 175.15 3d2t s MET 13 N 2.22 1.09 -0.03 1.98 0.23 -0.13 -4.34 119.30 120.32 3d2t s MET 13 Ca 0.04 -1.38 0.05 0.00 -1.03 0.00 0.00 55.69 53.37 3d2t s MET 13 Cb -0.14 -0.84 -0.01 0.00 -1.53 0.00 0.00 34.83 32.32 3d2t s MET 13 CO -0.07 0.14 -0.17 0.08 -2.03 0.00 0.00 175.02 172.98 3d2t s VAL 14 N -2.72 1.34 -0.04 5.16 1.01 -0.71 -0.89 120.40 123.55 3d2t s VAL 14 Ca 0.14 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3d2t s VAL 14 Cb -0.01 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.25 3d2t s VAL 14 CO 0.03 0.39 -0.06 -0.75 0.00 0.00 0.00 175.10 174.70 3d2t s LYS 15 N -0.19 0.97 -0.07 2.72 2.20 -0.10 -0.54 119.74 124.72 3d2t s LYS 15 Ca 0.02 -0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 3d2t s LYS 15 Cb -0.09 -0.91 0.01 0.00 -1.51 0.00 0.00 37.83 35.33 3d2t s LYS 15 CO 0.01 -0.04 -0.13 0.08 -0.36 0.00 0.00 175.35 174.91 3d2t s VAL 16 N 0.77 1.19 0.12 4.02 1.01 0.31 -0.78 120.40 127.04 3d2t s VAL 16 Ca -0.11 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.45 3d2t s VAL 16 Cb -0.14 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3d2t s VAL 16 CO 0.01 0.37 -0.24 -0.76 0.00 0.00 0.00 175.10 174.48 3d2t s LEU 17 N 0.65 2.31 -0.29 3.92 1.43 -0.34 -0.89 118.68 125.47 3d2t s LEU 17 Ca -0.15 -0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 52.14 3d2t s LEU 17 Cb -0.16 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 3d2t s LEU 17 CO 0.04 0.12 0.12 -0.62 0.23 0.00 0.00 176.35 176.24 3d2t s ASP 18 N -2.01 5.40 0.09 2.29 -1.08 0.93 -0.88 116.67 121.41 3d2t s ASP 18 Ca 0.11 -0.41 0.27 0.00 -0.52 0.00 0.00 52.55 51.99 3d2t s ASP 18 Cb -0.10 -1.97 0.86 0.00 -1.46 0.00 0.00 42.92 40.25 3d2t s ASP 18 CO 0.05 -0.14 1.71 0.00 0.52 0.00 0.00 175.17 177.32 3d2t n ALA 19 N 4.96 2.58 0.08 3.66 0.00 0.52 -0.93 120.51 131.38 3d2t n ALA 19 Ca -0.15 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 3d2t n ALA 19 Cb 0.50 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 3d2t n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3d2t h VAL 20 N 0.00 1.09 0.00 0.00 2.07 -1.94 -3.38 116.25 114.08 3d2t h VAL 20 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3d2t h VAL 20 Cb 0.61 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3d2t h VAL 20 CO 0.00 0.81 -1.51 0.54 0.02 0.00 0.00 177.57 177.42 3d2t n ARG 21 N -3.74 0.39 -3.18 1.57 1.74 -1.24 -5.01 116.66 107.20 3d2t n ARG 21 Ca -0.22 -0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 56.62 3d2t n ARG 21 Cb 1.03 -1.53 0.07 0.00 -1.02 0.00 0.00 32.46 31.01 3d2t n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d2t n GLY 22 N 1.35 -0.38 3.20 -0.13 0.00 -0.10 -5.04 105.19 104.10 3d2t n GLY 22 Ca -0.00 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 3d2t n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d2t s SER 23 N -3.99 0.20 0.64 1.61 1.04 -1.08 -4.99 113.70 107.12 3d2t s SER 23 Ca 0.08 -0.83 -0.18 0.00 0.48 0.00 0.00 55.95 55.50 3d2t s SER 23 Cb -0.01 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 3d2t s SER 23 CO 0.63 -0.74 1.31 -2.84 0.98 0.00 0.00 173.24 172.58 3d2t s PRO 24 N -3.92 2.62 -0.45 4.02 0.02 -1.26 -0.05 135.00 135.98 3d2t s PRO 24 Ca 0.10 2.10 -0.19 0.00 0.02 0.00 0.00 61.00 63.03 3d2t s PRO 24 Cb 0.05 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.71 3d2t s PRO 24 CO -0.07 -1.56 0.54 0.00 -0.33 0.00 0.00 177.00 175.58 3d2t s ALA 25 N -1.37 3.40 0.00 -1.55 0.00 -0.07 -4.58 121.76 117.58 3d2t s ALA 25 Ca 0.81 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 3d2t s ALA 25 Cb -0.38 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3d2t s ALA 25 CO 0.41 -1.77 0.27 0.42 0.00 0.00 0.00 175.76 175.09 3d2t s ILE 26 N 2.44 5.30 -1.34 0.00 1.01 -1.26 -4.35 121.20 123.00 3d2t s ILE 26 Ca 0.15 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 3d2t s ILE 26 Cb -0.17 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3d2t s ILE 26 CO 0.14 0.39 0.33 -3.20 0.00 0.00 0.00 174.94 172.60 3d2t n ASN 27 N 1.20 -5.22 -4.69 3.58 2.85 -0.28 -4.94 115.26 107.77 3d2t n ASN 27 Ca -0.12 -0.16 -0.40 0.00 -0.11 0.00 0.00 54.58 53.79 3d2t n ASN 27 Cb 0.53 -4.14 -0.05 0.00 1.24 0.00 0.00 39.78 37.35 3d2t n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3d2t s VAL 28 N -2.99 5.03 0.19 3.44 1.01 -1.26 -4.73 120.40 121.08 3d2t s VAL 28 Ca 0.16 1.29 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 3d2t s VAL 28 Cb -0.07 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 3d2t s VAL 28 CO 0.20 0.17 1.19 0.00 0.00 0.00 0.00 175.10 176.66 3d2t s ALA 29 N 1.45 3.43 -0.06 5.51 0.00 -1.26 -0.88 121.76 129.95 3d2t s ALA 29 Ca 0.32 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.24 3d2t s ALA 29 Cb -0.16 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3d2t s ALA 29 CO 0.13 -0.36 -0.09 0.08 0.00 0.00 0.00 175.76 175.52 3d2t s VAL 30 N -0.10 0.93 -0.08 0.00 1.01 0.23 -0.91 120.40 121.49 3d2t s VAL 30 Ca 0.52 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.20 3d2t s VAL 30 Cb -0.32 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3d2t s VAL 30 CO 0.37 0.31 -0.21 -1.00 0.00 0.00 0.00 175.10 174.57 3d2t s HIS 31 N 0.85 2.23 -0.07 5.22 3.76 -0.36 -1.28 115.29 125.63 3d2t s HIS 31 Ca -0.12 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 53.98 3d2t s HIS 31 Cb -0.15 -1.51 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 3d2t s HIS 31 CO 0.01 -0.33 -0.13 0.08 -0.85 0.00 0.00 174.74 173.52 3d2t s VAL 32 N 0.29 3.16 0.10 -0.90 1.01 0.80 -0.22 120.40 124.64 3d2t s VAL 32 Ca -0.14 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3d2t s VAL 32 Cb -0.16 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3d2t s VAL 32 CO 0.06 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.20 3d2t s PHE 33 N -0.45 1.55 -0.04 5.22 0.40 0.75 -0.87 117.98 124.54 3d2t s PHE 33 Ca 0.06 -0.46 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 3d2t s PHE 33 Cb -0.12 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 3d2t s PHE 33 CO 0.02 0.16 -0.17 0.50 0.70 0.00 0.00 175.22 176.43 3d2t s ARG 34 N -2.09 2.41 -0.02 0.44 3.52 -0.23 -0.76 118.95 122.23 3d2t s ARG 34 Ca 0.05 -0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 54.60 3d2t s ARG 34 Cb -0.09 -2.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 3d2t s ARG 34 CO 0.04 0.61 1.27 0.21 -0.81 0.00 0.00 175.30 176.62 3d2t s LYS 35 N -0.71 4.34 0.59 5.12 2.20 -0.52 -1.22 119.74 129.54 3d2t s LYS 35 Ca 0.11 1.79 -0.05 0.00 -0.36 0.00 0.00 55.97 57.46 3d2t s LYS 35 Cb -0.10 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3d2t s LYS 35 CO 0.00 -0.47 0.89 0.00 -0.36 0.00 0.00 175.35 175.42 3d2t s ALA 36 N 2.11 3.35 0.44 3.13 0.00 0.12 -4.77 121.76 126.13 3d2t s ALA 36 Ca 0.59 -0.79 0.18 0.00 0.00 0.00 0.00 51.96 51.94 3d2t s ALA 36 Cb -0.28 -2.54 1.12 0.00 0.00 0.00 0.00 23.12 21.43 3d2t s ALA 36 CO 0.24 -0.84 1.89 0.00 0.00 0.00 0.00 175.76 177.06 3d2t h ALA 37 N -0.18 2.24 -0.16 0.00 0.00 -1.96 -0.88 119.26 118.33 3d2t h ALA 37 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3d2t h ALA 37 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3d2t h ALA 37 CO 0.60 -0.49 0.00 -0.40 0.00 0.00 0.00 179.25 178.96 3d2t n ASP 38 N -4.47 1.77 -1.31 0.00 5.75 -1.26 -4.89 116.55 112.15 3d2t n ASP 38 Ca 0.17 -2.15 -0.15 0.00 -0.01 0.00 0.00 54.79 52.65 3d2t n ASP 38 Cb 0.65 -0.40 -0.05 0.00 -1.03 0.00 0.00 41.12 40.29 3d2t n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3d2t n ASP 39 N 0.12 -4.72 -4.92 -1.12 8.00 -0.33 -5.02 116.55 108.55 3d2t n ASP 39 Ca 0.07 0.26 -0.30 0.00 0.71 0.00 0.00 54.79 55.53 3d2t n ASP 39 Cb 0.37 -3.63 -0.04 0.00 -0.02 0.00 0.00 41.12 37.80 3d2t n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3d2t s THR 40 N -2.61 5.31 -0.38 -3.53 2.01 -1.26 -4.89 115.64 110.30 3d2t s THR 40 Ca 0.00 -0.37 -0.22 0.00 0.31 0.00 0.00 61.69 61.40 3d2t s THR 40 Cb 0.00 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.86 3d2t s THR 40 CO 0.00 0.04 0.74 0.26 -0.69 0.00 0.00 174.62 174.97 3d2t s TRP 41 N -1.63 3.10 -0.18 4.92 0.52 -1.26 -0.71 118.94 123.71 3d2t s TRP 41 Ca 0.36 0.43 -0.10 0.00 0.02 0.00 0.00 56.10 56.81 3d2t s TRP 41 Cb -0.12 -3.37 -0.05 0.00 -1.15 0.00 0.00 33.47 28.79 3d2t s TRP 41 CO 0.28 -0.74 0.15 -1.21 0.02 0.00 0.00 176.95 175.44 3d2t s GLU 42 N 3.01 4.01 0.08 4.98 0.41 -0.36 -4.93 118.70 125.91 3d2t s GLU 42 Ca 0.29 -0.17 -0.34 0.00 -0.41 0.00 0.00 54.97 54.34 3d2t s GLU 42 Cb -0.13 -3.36 -0.13 0.00 -1.78 0.00 0.00 34.13 28.72 3d2t s GLU 42 CO 0.17 0.42 1.67 -2.30 -0.49 0.00 0.00 175.26 174.73 3d2t n PRO 43 N 3.13 2.14 -0.03 0.39 -0.02 -1.26 -1.06 135.00 138.29 3d2t n PRO 43 Ca -0.17 0.78 -0.07 0.00 -2.02 0.00 0.00 63.50 62.02 3d2t n PRO 43 Cb 0.53 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 3d2t n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3d2t n PHE 44 N 4.40 0.00 -3.48 6.00 -0.00 -0.04 -4.78 117.46 119.55 3d2t n PHE 44 Ca 0.19 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.48 3d2t n PHE 44 Cb 0.29 -0.26 -0.05 0.00 -0.00 0.00 0.00 39.48 39.46 3d2t n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3d2t s ALA 45 N -2.20 -1.70 0.24 3.13 0.00 -0.94 -5.01 121.76 115.28 3d2t s ALA 45 Ca -0.11 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.66 3d2t s ALA 45 Cb 0.04 0.32 0.03 0.00 0.00 0.00 0.00 23.12 23.51 3d2t s ALA 45 CO 0.15 -0.51 0.65 -1.54 0.00 0.00 0.00 175.76 174.50 3d2t s SER 46 N -1.76 -0.30 0.00 0.00 1.04 -1.26 -0.14 113.70 111.27 3d2t s SER 46 Ca -0.07 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3d2t s SER 46 Cb -0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3d2t s SER 46 CO 0.02 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.63 3d2t n GLY 47 N -0.42 -0.54 3.32 7.32 0.00 -0.41 -4.97 105.19 109.49 3d2t n GLY 47 Ca -0.07 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 3d2t n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d2t s LYS 48 N -2.00 1.97 0.49 1.61 -0.14 -1.26 -0.60 119.74 119.81 3d2t s LYS 48 Ca 0.00 -1.00 -0.23 0.00 -1.36 0.00 0.00 55.97 53.38 3d2t s LYS 48 Cb 0.00 -2.00 -0.06 0.00 -1.68 0.00 0.00 37.83 34.09 3d2t s LYS 48 CO 0.00 0.54 1.31 0.95 -0.76 0.00 0.00 175.35 177.39 3d2t s THR 49 N -0.69 2.41 0.80 2.17 -4.23 -0.05 -4.79 115.64 111.26 3d2t s THR 49 Ca 0.11 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.80 3d2t s THR 49 Cb -0.10 -3.17 0.19 0.00 1.34 0.00 0.00 72.50 70.76 3d2t s THR 49 CO 0.00 0.01 0.94 -1.54 -0.54 0.00 0.00 174.62 173.49 3d2t n SER 50 N -0.63 -0.58 0.15 3.99 3.41 0.78 -1.13 113.62 119.61 3d2t n SER 50 Ca 0.08 -1.24 0.18 0.00 -0.26 0.00 0.00 58.87 57.64 3d2t n SER 50 Cb 0.45 -0.76 0.79 0.00 -0.26 0.00 0.00 64.21 64.43 3d2t n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3d2t h GLU 51 N 0.00 0.00 -0.46 4.33 5.08 -1.94 0.50 114.58 122.09 3d2t h GLU 51 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3d2t h GLU 51 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3d2t h GLU 51 CO 0.22 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.10 3d2t n SER 52 N -3.80 2.81 -0.35 1.42 3.41 -1.26 -4.80 113.62 111.04 3d2t n SER 52 Ca 0.04 -1.95 -0.05 0.00 -0.26 0.00 0.00 58.87 56.65 3d2t n SER 52 Cb 0.44 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 3d2t n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d2t n GLY 53 N 1.35 0.73 3.49 5.00 0.00 0.17 -4.78 105.19 111.14 3d2t n GLY 53 Ca 0.18 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 3d2t n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d2t s GLU 54 N -2.15 1.78 -0.15 1.61 2.02 -1.26 -0.53 118.70 120.01 3d2t s GLU 54 Ca 0.00 -1.19 -0.01 0.00 0.02 0.00 0.00 54.97 53.79 3d2t s GLU 54 Cb 0.00 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 32.17 3d2t s GLU 54 CO 0.00 0.48 -0.01 -1.17 0.02 0.00 0.00 175.26 174.58 3d2t s LEU 55 N -2.16 1.23 0.37 1.80 2.96 0.30 -0.16 118.68 123.02 3d2t s LEU 55 Ca 0.18 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 53.60 3d2t s LEU 55 Cb -0.10 -0.70 -0.06 0.00 0.50 0.00 0.00 46.19 45.82 3d2t s LEU 55 CO 0.10 -0.23 0.00 -1.00 -1.32 0.00 0.00 176.35 173.91 3d2t s HIS 56 N 1.79 2.51 -0.90 5.38 3.76 -1.26 -1.73 115.29 124.83 3d2t s HIS 56 Ca 0.01 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 3d2t s HIS 56 Cb -0.15 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.94 3d2t s HIS 56 CO -0.07 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.69 3d2t n GLY 57 N -0.95 0.16 0.23 -2.22 0.00 -1.26 -4.92 105.19 96.23 3d2t n GLY 57 Ca -0.04 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 3d2t n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3d2t h LEU 58 N 0.00 0.63 0.00 0.99 3.38 -1.87 -3.48 115.31 114.96 3d2t h LEU 58 Ca -0.23 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.38 3d2t h LEU 58 Cb 1.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3d2t h LEU 58 CO 0.29 0.96 0.13 1.07 0.09 0.00 0.00 178.44 180.98 3d2t n THR 59 N -4.03 0.00 -4.37 0.22 5.66 -1.26 -4.78 114.28 105.71 3d2t n THR 59 Ca -0.02 -0.97 -0.19 0.00 -3.05 0.00 0.00 64.05 59.82 3d2t n THR 59 Cb 0.52 0.82 -0.10 0.00 -1.55 0.00 0.00 70.33 70.02 3d2t n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3d2t s THR 60 N -2.41 1.73 0.35 1.09 -4.23 -1.26 -4.50 115.64 106.41 3d2t s THR 60 Ca 0.16 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 3d2t s THR 60 Cb -0.03 -2.16 0.26 0.00 1.34 0.00 0.00 72.50 71.91 3d2t s THR 60 CO 0.12 -0.51 2.01 -0.33 -0.54 0.00 0.00 174.62 175.37 3d2t h GLU 61 N 2.48 0.82 -0.11 3.99 5.08 -1.97 -0.69 114.58 124.17 3d2t h GLU 61 Ca -0.39 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.95 3d2t h GLU 61 Cb 1.23 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 3d2t h GLU 61 CO 0.63 0.55 -0.08 1.49 -1.00 0.00 0.00 179.01 180.60 3d2t h GLU 62 N 0.84 -0.08 0.00 2.33 4.81 -2.04 -3.08 114.58 117.36 3d2t h GLU 62 Ca 0.23 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3d2t h GLU 62 Cb -0.09 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3d2t h GLU 62 CO -0.05 -0.05 -0.46 1.49 -0.73 0.00 0.00 179.01 179.21 3d2t h GLU 63 N -0.08 0.00 -3.31 1.92 4.57 -1.87 -3.39 114.58 112.41 3d2t h GLU 63 Ca 0.07 0.00 -0.73 0.00 -1.18 0.00 0.00 59.36 57.51 3d2t h GLU 63 Cb 0.18 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.67 3d2t h GLU 63 CO -0.16 0.00 2.55 0.34 -1.18 0.00 0.00 179.01 180.56 3d2t n PHE 64 N -2.81 2.89 -1.78 0.92 7.35 -0.30 -4.95 117.46 118.77 3d2t n PHE 64 Ca 0.02 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.54 3d2t n PHE 64 Cb 0.53 -2.10 0.05 0.00 0.35 0.00 0.00 39.48 38.31 3d2t n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3d2t s VAL 65 N 0.72 3.55 0.37 -2.13 -7.23 -1.26 -4.96 120.40 109.46 3d2t s VAL 65 Ca 0.48 0.50 -0.26 0.00 -1.81 0.00 0.00 61.98 60.89 3d2t s VAL 65 Cb 0.14 -3.42 -0.12 0.00 0.56 0.00 0.00 36.38 33.54 3d2t s VAL 65 CO -0.04 -0.66 1.10 -0.62 -0.31 0.00 0.00 175.10 174.56 3d2t n GLU 66 N -3.09 1.58 0.00 4.82 1.02 -1.26 -4.88 120.64 118.84 3d2t n GLU 66 Ca 0.07 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 3d2t n GLU 66 Cb 0.56 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 3d2t n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d2t n GLY 67 N 1.06 -0.11 3.72 0.62 0.00 -1.01 -4.98 105.19 104.50 3d2t n GLY 67 Ca 0.08 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 3d2t n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d2t s ILE 68 N -2.00 5.33 0.10 -0.61 1.01 -1.26 -0.42 121.20 123.34 3d2t s ILE 68 Ca 0.00 0.47 0.09 0.00 0.00 0.00 0.00 60.65 61.20 3d2t s ILE 68 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 3d2t s ILE 68 CO 0.00 0.39 -0.22 -0.31 0.00 0.00 0.00 174.94 174.80 3d2t s TYR 69 N 0.50 1.89 -0.10 3.97 2.02 0.74 -1.44 117.35 124.93 3d2t s TYR 69 Ca 0.14 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 3d2t s TYR 69 Cb -0.13 -1.05 0.01 0.00 -0.40 0.00 0.00 41.96 40.39 3d2t s TYR 69 CO 0.03 0.21 -0.19 0.21 -1.57 0.00 0.00 175.55 174.23 3d2t s LYS 70 N -1.80 2.60 -0.22 -0.62 2.20 0.06 -1.36 119.74 120.61 3d2t s LYS 70 Ca 0.08 -0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 3d2t s LYS 70 Cb -0.10 -2.06 0.01 0.00 -1.51 0.00 0.00 37.83 34.17 3d2t s LYS 70 CO 0.04 0.07 -0.07 0.08 -0.36 0.00 0.00 175.35 175.11 3d2t s VAL 71 N 0.61 3.06 -0.20 4.02 1.01 0.13 -0.18 120.40 128.85 3d2t s VAL 71 Ca -0.14 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3d2t s VAL 71 Cb -0.17 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3d2t s VAL 71 CO 0.04 0.37 -0.07 -0.70 0.00 0.00 0.00 175.10 174.75 3d2t s GLU 72 N 1.41 3.37 -0.24 2.72 2.12 0.69 -0.17 118.70 128.60 3d2t s GLU 72 Ca 0.04 -0.64 -0.06 0.00 0.36 0.00 0.00 54.97 54.67 3d2t s GLU 72 Cb -0.15 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 3d2t s GLU 72 CO -0.05 -0.12 0.03 0.42 -0.54 0.00 0.00 175.26 175.01 3d2t s ILE 73 N 1.25 3.97 -1.36 -3.70 1.01 0.13 -1.23 121.20 121.27 3d2t s ILE 73 Ca 0.03 -0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.21 3d2t s ILE 73 Cb -0.14 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.51 3d2t s ILE 73 CO -0.02 0.35 2.03 -0.67 0.00 0.00 0.00 174.94 176.63 3d2t n ASP 74 N 4.88 4.13 -0.02 3.58 2.03 -0.09 -1.21 116.55 129.85 3d2t n ASP 74 Ca -0.17 -2.85 -0.06 0.00 0.52 0.00 0.00 54.79 52.23 3d2t n ASP 74 Cb 0.51 -1.66 0.14 0.00 -0.72 0.00 0.00 41.12 39.38 3d2t n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3d2t h THR 75 N 4.64 1.28 -0.33 5.18 1.35 -1.87 -3.15 112.91 120.01 3d2t h THR 75 Ca 0.51 -1.41 0.04 0.00 -0.55 0.00 0.00 66.41 65.00 3d2t h THR 75 Cb 0.73 1.41 -0.04 0.00 -1.73 0.00 0.00 68.15 68.52 3d2t h THR 75 CO 1.73 0.45 0.08 0.50 -0.25 0.00 0.00 175.52 178.03 3d2t h LYS 76 N 0.49 0.20 -0.54 4.72 3.64 -1.72 -1.83 116.57 121.53 3d2t h LYS 76 Ca 0.06 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3d2t h LYS 76 Cb 0.78 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 3d2t h LYS 76 CO 0.06 0.13 0.18 0.77 -2.27 0.00 0.00 179.45 178.33 3d2t h SER 77 N 0.21 0.73 0.07 4.20 0.02 -1.86 0.32 113.55 117.24 3d2t h SER 77 Ca 0.15 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3d2t h SER 77 Cb 0.15 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 3d2t h SER 77 CO -0.18 0.68 -0.06 0.22 -1.14 0.00 0.00 176.83 176.35 3d2t h TYR 78 N 0.78 -0.15 -0.46 3.45 3.20 -1.39 -0.92 116.97 121.48 3d2t h TYR 78 Ca 0.18 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.93 3d2t h TYR 78 Cb 0.20 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3d2t h TYR 78 CO 0.01 -0.10 -0.21 -1.49 -1.64 0.00 0.00 178.16 174.74 3d2t h TRP 79 N -0.14 1.09 -1.00 -3.82 4.06 -1.09 -3.08 115.95 111.96 3d2t h TRP 79 Ca -0.00 -0.27 0.06 0.00 2.06 0.00 0.00 58.89 60.74 3d2t h TRP 79 Cb 0.13 -0.25 -0.06 0.00 -1.00 0.00 0.00 29.16 27.97 3d2t h TRP 79 CO -0.09 1.07 0.65 0.87 -3.56 0.00 0.00 178.44 177.38 3d2t h LYS 80 N 0.79 1.16 0.00 0.49 1.57 -0.74 -0.12 116.57 119.72 3d2t h LYS 80 Ca 0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3d2t h LYS 80 Cb 0.78 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3d2t h LYS 80 CO 0.06 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.71 3d2t n ALA 81 N -2.37 1.61 1.02 3.86 0.00 -0.37 -1.65 120.51 122.63 3d2t n ALA 81 Ca 0.15 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.76 3d2t n ALA 81 Cb 0.16 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.33 3d2t n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d2t n LEU 82 N -2.06 2.30 -0.38 0.00 4.77 -0.13 -4.97 117.00 116.53 3d2t n LEU 82 Ca 0.02 -0.81 -0.03 0.00 -0.03 0.00 0.00 56.01 55.16 3d2t n LEU 82 Cb 0.20 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3d2t n LEU 82 CO 0.17 0.41 -0.04 0.61 -1.33 0.00 0.00 177.39 177.21 3d2t n GLY 83 N 1.39 0.28 3.19 -0.72 0.00 -0.66 -5.04 105.19 103.63 3d2t n GLY 83 Ca 0.11 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 3d2t n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d2t s ILE 84 N -2.17 2.04 -0.32 -0.61 1.01 -0.77 -5.03 121.20 115.35 3d2t s ILE 84 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.38 3d2t s ILE 84 Cb 0.00 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.70 3d2t s ILE 84 CO 0.00 0.55 1.21 -0.55 0.00 0.00 0.00 174.94 176.15 3d2t s SER 85 N 0.61 6.76 0.35 3.58 0.15 -1.26 -3.61 113.70 120.28 3d2t s SER 85 Ca -0.12 1.08 0.05 0.00 0.70 0.00 0.00 55.95 57.66 3d2t s SER 85 Cb -0.17 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 3d2t s SER 85 CO 0.03 -1.03 0.51 -2.16 1.20 0.00 0.00 173.24 171.79 3d2t s PRO 86 N 4.01 3.17 -0.15 5.44 0.04 -1.26 -4.87 135.00 141.38 3d2t s PRO 86 Ca 0.52 -0.82 -0.25 0.00 0.04 0.00 0.00 61.00 60.49 3d2t s PRO 86 Cb -0.14 -2.76 -0.22 0.00 0.04 0.00 0.00 34.50 31.41 3d2t s PRO 86 CO 0.21 0.04 0.58 0.35 0.04 0.00 0.00 177.00 178.22 3d2t h PHE 87 N 0.80 0.00 -3.79 0.56 3.57 -1.29 -3.48 116.94 113.31 3d2t h PHE 87 Ca -0.47 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.55 3d2t h PHE 87 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 3d2t h PHE 87 CO 0.44 1.02 0.16 -1.01 -2.23 0.00 0.00 178.31 176.68 3d2t s HIS 88 N -2.21 3.38 0.16 0.41 3.76 -1.26 -4.97 115.29 114.56 3d2t s HIS 88 Ca -0.20 1.32 -0.05 0.00 -0.15 0.00 0.00 55.06 55.99 3d2t s HIS 88 Cb -0.01 -2.62 0.03 0.00 1.11 0.00 0.00 32.58 31.09 3d2t s HIS 88 CO 0.61 0.07 1.43 0.93 -0.85 0.00 0.00 174.74 176.93 3d2t h GLU 89 N 2.27 0.56 -2.49 1.40 4.39 -1.98 -3.37 114.58 115.37 3d2t h GLU 89 Ca -0.48 -0.41 0.16 0.00 0.34 0.00 0.00 59.36 58.97 3d2t h GLU 89 Cb 1.18 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 3d2t h GLU 89 CO 0.64 1.03 0.56 -3.38 -1.16 0.00 0.00 179.01 176.71 3d2t s HIS 90 N -3.80 0.03 -0.19 4.33 -3.43 -1.26 -3.73 115.29 107.24 3d2t s HIS 90 Ca -0.07 -0.42 -0.03 0.00 -0.80 0.00 0.00 55.06 53.74 3d2t s HIS 90 Cb 0.10 0.69 -0.01 0.00 -1.43 0.00 0.00 32.58 31.93 3d2t s HIS 90 CO 0.86 -0.91 -0.07 0.00 -2.00 0.00 0.00 174.74 172.62 3d2t s ALA 91 N -2.38 2.79 -0.10 -1.38 0.00 -0.35 -4.89 121.76 115.44 3d2t s ALA 91 Ca 0.20 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 3d2t s ALA 91 Cb -0.02 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 3d2t s ALA 91 CO 0.05 -0.14 -0.06 -1.21 0.00 0.00 0.00 175.76 174.40 3d2t s GLU 92 N 0.99 3.10 -0.15 0.00 2.02 -1.26 0.18 118.70 123.59 3d2t s GLU 92 Ca -0.00 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.45 3d2t s GLU 92 Cb -0.15 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.40 3d2t s GLU 92 CO -0.00 0.50 -0.13 0.08 0.02 0.00 0.00 175.26 175.73 3d2t s VAL 93 N -0.36 1.51 -0.12 2.63 1.01 0.76 -4.97 120.40 120.87 3d2t s VAL 93 Ca 0.05 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3d2t s VAL 93 Cb -0.12 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.83 3d2t s VAL 93 CO 0.02 0.44 -0.19 -0.69 0.00 0.00 0.00 175.10 174.69 3d2t s VAL 94 N 1.51 1.81 0.08 2.92 1.01 -1.26 0.19 120.40 126.65 3d2t s VAL 94 Ca 0.05 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 3d2t s VAL 94 Cb -0.13 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.67 3d2t s VAL 94 CO -0.10 0.50 0.42 0.72 0.00 0.00 0.00 175.10 176.63 3d2t s PHE 95 N 0.84 -0.25 -0.22 5.22 -0.71 -0.46 -4.99 117.98 117.41 3d2t s PHE 95 Ca -0.08 0.11 -0.16 0.00 -1.04 0.00 0.00 56.93 55.77 3d2t s PHE 95 Cb -0.15 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 3d2t s PHE 95 CO -0.01 -0.63 0.41 0.99 -1.34 0.00 0.00 175.22 174.65 3d2t s THR 96 N -2.99 5.18 -0.22 -4.49 2.01 -1.26 -0.18 115.64 113.69 3d2t s THR 96 Ca -0.02 0.71 -0.27 0.00 0.31 0.00 0.00 61.69 62.42 3d2t s THR 96 Cb 0.00 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 3d2t s THR 96 CO -0.06 0.21 0.92 0.00 -0.69 0.00 0.00 174.62 175.00 3d2t s ALA 97 N 1.58 3.62 0.00 7.40 0.00 0.44 -4.95 121.76 129.85 3d2t s ALA 97 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3d2t s ALA 97 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3d2t s ALA 97 CO 0.08 -0.90 0.00 0.09 0.00 0.00 0.00 175.76 175.03 3d2t n ASN 98 N 5.92 1.22 -4.66 0.00 5.03 -1.26 -2.40 115.26 119.11 3d2t n ASN 98 Ca 0.08 -0.27 -0.46 0.00 0.87 0.00 0.00 54.58 54.80 3d2t n ASN 98 Cb 0.47 0.79 -0.03 0.00 -1.02 0.00 0.00 39.78 39.98 3d2t n ASN 98 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3d2t n ARG 104 N -0.91 1.98 -4.14 3.52 1.74 1.00 -5.06 116.66 114.80 3d2t n ARG 104 Ca 0.00 0.71 -0.34 0.00 -0.77 0.00 0.00 57.85 57.45 3d2t n ARG 104 Cb 0.00 -2.39 -0.14 0.00 -1.02 0.00 0.00 32.46 28.91 3d2t n ARG 104 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3d2t s TYR 105 N 0.24 2.90 -0.20 -1.55 1.51 0.19 -1.09 117.35 119.34 3d2t s TYR 105 Ca 0.72 -0.99 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 3d2t s TYR 105 Cb -0.68 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.15 3d2t s TYR 105 CO 0.46 -0.51 -0.07 0.99 -1.11 0.00 0.00 175.55 175.31 3d2t s THR 106 N 1.19 3.23 -0.33 -0.71 2.01 0.34 -0.96 115.64 120.41 3d2t s THR 106 Ca 0.02 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 3d2t s THR 106 Cb -0.14 -2.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.92 3d2t s THR 106 CO -0.03 0.45 0.19 -0.63 -0.69 0.00 0.00 174.62 173.91 3d2t s ILE 107 N 1.22 4.77 -0.03 1.82 -1.09 -0.07 -0.90 121.20 126.92 3d2t s ILE 107 Ca 0.02 -0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 3d2t s ILE 107 Cb -0.14 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 3d2t s ILE 107 CO -0.02 -0.01 -0.08 0.00 -1.23 0.00 0.00 174.94 173.60 3d2t s ALA 108 N 1.63 2.96 -0.03 9.38 0.00 -0.36 -0.93 121.76 134.41 3d2t s ALA 108 Ca 0.05 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3d2t s ALA 108 Cb -0.17 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.80 3d2t s ALA 108 CO 0.07 0.59 -0.09 0.00 0.00 0.00 0.00 175.76 176.33 3d2t s ALA 109 N -0.89 0.90 -0.19 0.00 0.00 0.04 -1.14 121.76 120.48 3d2t s ALA 109 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 3d2t s ALA 109 Cb -0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 3d2t s ALA 109 CO 0.04 0.14 -0.10 -1.17 0.00 0.00 0.00 175.76 174.67 3d2t s LEU 110 N 0.21 2.66 -0.13 0.00 2.96 -0.13 -1.19 118.68 123.06 3d2t s LEU 110 Ca -0.04 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3d2t s LEU 110 Cb -0.09 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3d2t s LEU 110 CO 0.01 0.02 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.23 3d2t s LEU 111 N 1.20 3.09 0.20 -0.68 1.43 -0.06 -1.51 118.68 122.35 3d2t s LEU 111 Ca 0.02 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 3d2t s LEU 111 Cb -0.14 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 3d2t s LEU 111 CO -0.04 0.22 -0.11 -0.44 0.23 0.00 0.00 176.35 176.20 3d2t s SER 112 N 0.07 2.36 0.29 2.29 0.01 0.19 -0.35 113.70 118.55 3d2t s SER 112 Ca -0.02 -1.05 0.03 0.00 1.31 0.00 0.00 55.95 56.22 3d2t s SER 112 Cb -0.14 -0.10 0.66 0.00 0.21 0.00 0.00 66.02 66.66 3d2t s SER 112 CO 0.03 -0.25 1.77 -0.65 0.41 0.00 0.00 173.24 174.55 3d2t h PRO 113 N 2.57 0.67 -0.22 12.44 0.11 -1.99 -2.90 132.00 142.68 3d2t h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3d2t h PRO 113 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3d2t h PRO 113 CO 0.63 0.44 0.00 0.66 -0.21 0.00 0.00 178.00 179.52 3d2t n TYR 114 N -4.82 0.65 -3.57 0.65 4.02 -1.26 -0.75 117.16 112.08 3d2t n TYR 114 Ca 0.21 -0.81 -0.17 0.00 -0.01 0.00 0.00 57.90 57.12 3d2t n TYR 114 Cb 0.53 -0.22 -0.07 0.00 -0.02 0.00 0.00 39.34 39.56 3d2t n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3d2t s SER 115 N -1.88 -0.63 0.06 7.72 0.15 -1.09 -4.95 113.70 113.08 3d2t s SER 115 Ca 0.35 0.82 -0.09 0.00 0.70 0.00 0.00 55.95 57.72 3d2t s SER 115 Cb 0.27 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 3d2t s SER 115 CO 0.09 -0.51 0.20 -0.72 1.20 0.00 0.00 173.24 173.49 3d2t s TYR 116 N -0.84 0.09 0.04 3.44 -0.85 -1.26 -0.64 117.35 117.32 3d2t s TYR 116 Ca -0.09 -0.40 0.08 0.00 -0.52 0.00 0.00 57.07 56.14 3d2t s TYR 116 Cb -0.02 -0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 3d2t s TYR 116 CO 0.07 -0.49 -0.23 -1.12 -1.52 0.00 0.00 175.55 172.27 3d2t s SER 117 N -2.44 2.69 0.01 -0.18 0.01 -0.57 -4.98 113.70 108.24 3d2t s SER 117 Ca -0.00 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 56.75 3d2t s SER 117 Cb 0.02 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 3d2t s SER 117 CO -0.07 0.21 -0.05 0.28 0.41 0.00 0.00 173.24 174.01 3d2t s THR 118 N -0.76 0.39 0.06 1.44 -1.32 -1.26 -0.95 115.64 113.23 3d2t s THR 118 Ca 0.09 -0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.21 3d2t s THR 118 Cb -0.09 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.51 3d2t s THR 118 CO 0.01 -0.00 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.47 3d2t s THR 119 N -0.37 0.50 -0.12 5.08 2.01 -0.29 -5.00 115.64 117.44 3d2t s THR 119 Ca -0.01 -1.41 0.01 0.00 0.31 0.00 0.00 61.69 60.59 3d2t s THR 119 Cb -0.03 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 3d2t s THR 119 CO -0.00 -0.62 -0.17 0.00 -0.69 0.00 0.00 174.62 173.13 3d2t s ALA 120 N -2.39 2.44 -0.23 7.40 0.00 -1.26 -1.23 121.76 126.49 3d2t s ALA 120 Ca -0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 3d2t s ALA 120 Cb -0.03 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 3d2t s ALA 120 CO -0.03 0.21 -0.02 0.08 0.00 0.00 0.00 175.76 176.00 3d2t s VAL 121 N 0.44 3.49 -0.25 0.00 1.01 -0.08 -4.98 120.40 120.02 3d2t s VAL 121 Ca -0.13 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3d2t s VAL 121 Cb -0.17 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.65 3d2t s VAL 121 CO 0.06 0.37 -0.09 -0.69 0.00 0.00 0.00 175.10 174.75 3d2t s VAL 122 N 1.49 1.98 0.00 2.92 1.01 -1.26 -0.50 120.40 126.04 3d2t s VAL 122 Ca 0.05 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.50 3d2t s VAL 122 Cb -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.09 3d2t s VAL 122 CO -0.02 -0.06 0.06 0.35 0.00 0.00 0.00 175.10 175.42