#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2t h PRO 11 N 0.00 0.00 -3.01 0.00 0.13 -1.89 -3.44 132.00 123.79 3d2t h PRO 11 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 3d2t h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 3d2t h PRO 11 CO 0.00 0.00 -0.71 -1.17 -0.23 0.00 0.00 178.00 175.89 3d2t s LEU 12 N -4.48 0.14 0.08 1.56 2.96 -1.26 -0.54 118.68 117.14 3d2t s LEU 12 Ca 0.08 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 3d2t s LEU 12 Cb 0.12 -0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.77 3d2t s LEU 12 CO 0.67 -0.31 -0.18 -0.04 -1.32 0.00 0.00 176.35 175.18 3d2t s MET 13 N 2.21 1.02 -0.06 1.98 -1.94 -0.33 -4.37 119.30 117.82 3d2t s MET 13 Ca 0.04 -1.01 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 3d2t s MET 13 Cb -0.14 -1.15 -0.00 0.00 2.01 0.00 0.00 34.83 35.54 3d2t s MET 13 CO -0.08 0.27 -0.20 0.08 -0.01 0.00 0.00 175.02 175.08 3d2t s VAL 14 N -1.11 1.66 -0.06 -6.03 1.01 -0.71 -0.61 120.40 114.54 3d2t s VAL 14 Ca 0.03 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.21 3d2t s VAL 14 Cb -0.10 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3d2t s VAL 14 CO 0.03 0.47 -0.14 -0.75 0.00 0.00 0.00 175.10 174.71 3d2t s LYS 15 N 0.07 1.77 -0.07 2.72 2.20 -0.20 -0.50 119.74 125.73 3d2t s LYS 15 Ca -0.06 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 3d2t s LYS 15 Cb -0.13 -1.46 0.02 0.00 -1.51 0.00 0.00 37.83 34.74 3d2t s LYS 15 CO 0.04 0.08 -0.09 0.08 -0.36 0.00 0.00 175.35 175.09 3d2t s VAL 16 N 0.50 0.97 0.19 4.02 1.01 0.12 -0.83 120.40 126.39 3d2t s VAL 16 Ca -0.12 -0.35 0.11 0.00 0.00 0.00 0.00 61.98 61.62 3d2t s VAL 16 Cb -0.15 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3d2t s VAL 16 CO 0.04 0.33 -0.19 -0.76 0.00 0.00 0.00 175.10 174.52 3d2t s LEU 17 N 1.03 2.63 -0.32 3.92 1.02 -0.33 -0.66 118.68 125.97 3d2t s LEU 17 Ca -0.08 -0.78 -0.08 0.00 0.02 0.00 0.00 54.13 53.21 3d2t s LEU 17 Cb -0.15 -1.33 0.02 0.00 0.02 0.00 0.00 46.19 44.75 3d2t s LEU 17 CO -0.00 0.11 0.12 -0.62 0.02 0.00 0.00 176.35 175.97 3d2t s ASP 18 N -2.78 5.33 0.14 2.29 -1.08 0.80 -1.15 116.67 120.21 3d2t s ASP 18 Ca 0.23 -0.81 0.27 0.00 -0.52 0.00 0.00 52.55 51.72 3d2t s ASP 18 Cb -0.08 -1.92 0.95 0.00 -1.46 0.00 0.00 42.92 40.41 3d2t s ASP 18 CO 0.12 -0.25 1.82 0.00 0.52 0.00 0.00 175.17 177.38 3d2t n ALA 19 N 4.90 2.27 0.07 3.66 0.00 -0.21 -1.17 120.51 130.03 3d2t n ALA 19 Ca -0.14 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 3d2t n ALA 19 Cb 0.47 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.31 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 1.00 0.00 0.00 2.07 -1.94 -3.39 116.25 113.99 3d2t h VAL 20 Ca 0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3d2t h VAL 20 Cb 0.64 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3d2t h VAL 20 CO 0.00 0.83 -1.25 0.54 0.02 0.00 0.00 177.57 177.71 3d2t n ARG 21 N -3.67 0.25 -3.16 1.57 1.74 -1.23 -5.01 116.66 107.16 3d2t n ARG 21 Ca -0.24 -0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 56.65 3d2t n ARG 21 Cb 1.05 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 31.07 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 1.44 -0.45 3.30 -0.13 0.00 -0.32 -5.03 105.19 104.00 3d2t n GLY 22 Ca 0.02 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.91 -0.03 0.70 1.61 1.04 -1.10 -5.01 113.70 107.00 3d2t s SER 23 Ca 0.13 -0.62 -0.16 0.00 0.48 0.00 0.00 55.95 55.78 3d2t s SER 23 Cb -0.02 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3d2t s SER 23 CO 0.63 -0.84 1.25 -2.16 0.98 0.00 0.00 173.24 173.10 3d2t s PRO 24 N -3.88 2.26 -0.51 4.02 0.04 -1.26 -0.14 135.00 135.53 3d2t s PRO 24 Ca 0.08 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 3d2t s PRO 24 Cb 0.03 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 32.80 3d2t s PRO 24 CO -0.07 -1.78 0.63 0.00 0.04 0.00 0.00 177.00 175.82 3d2t s ALA 25 N -1.71 3.38 0.03 8.56 0.00 0.17 -4.55 121.76 127.63 3d2t s ALA 25 Ca 0.78 -1.71 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 3d2t s ALA 25 Cb -0.33 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 3d2t s ALA 25 CO 0.43 -2.01 0.41 0.42 0.00 0.00 0.00 175.76 175.01 3d2t s ILE 26 N 2.67 5.04 -1.51 0.00 1.01 -1.26 -4.28 121.20 122.86 3d2t s ILE 26 Ca 0.16 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 3d2t s ILE 26 Cb -0.19 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3d2t s ILE 26 CO 0.12 0.49 0.19 0.59 0.00 0.00 0.00 174.94 176.33 3d2t n ASN 27 N 1.54 -5.44 -4.69 3.58 3.02 -0.02 -4.94 115.26 108.31 3d2t n ASN 27 Ca -0.12 -0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 53.91 3d2t n ASN 27 Cb 0.52 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.24 3d2t n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3d2t s VAL 28 N -2.98 4.84 0.18 2.41 1.01 -1.26 -4.73 120.40 119.87 3d2t s VAL 28 Ca 0.09 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 3d2t s VAL 28 Cb -0.04 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 3d2t s VAL 28 CO 0.11 0.07 1.17 0.00 0.00 0.00 0.00 175.10 176.45 3d2t s ALA 29 N 1.64 3.41 -0.07 5.51 0.00 -1.26 -1.48 121.76 129.51 3d2t s ALA 29 Ca 0.47 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.34 3d2t s ALA 29 Cb -0.19 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3d2t s ALA 29 CO 0.20 -0.33 -0.06 0.08 0.00 0.00 0.00 175.76 175.66 3d2t s VAL 30 N -0.07 0.72 -0.12 0.00 1.01 0.10 -0.80 120.40 121.25 3d2t s VAL 30 Ca 0.52 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3d2t s VAL 30 Cb -0.31 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3d2t s VAL 30 CO 0.36 0.28 -0.17 -1.00 0.00 0.00 0.00 175.10 174.57 3d2t s HIS 31 N 1.17 2.71 -0.08 5.22 3.76 -0.18 -1.36 115.29 126.53 3d2t s HIS 31 Ca -0.06 -0.78 0.02 0.00 -0.15 0.00 0.00 55.06 54.08 3d2t s HIS 31 Cb -0.14 -1.79 -0.02 0.00 1.11 0.00 0.00 32.58 31.74 3d2t s HIS 31 CO -0.01 -0.28 -0.12 0.08 -0.85 0.00 0.00 174.74 173.55 3d2t s VAL 32 N 0.32 3.21 0.16 -0.90 1.01 0.75 0.13 120.40 125.08 3d2t s VAL 32 Ca -0.13 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3d2t s VAL 32 Cb -0.17 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3d2t s VAL 32 CO 0.07 0.57 -0.14 -0.36 0.00 0.00 0.00 175.10 175.24 3d2t s PHE 33 N -0.44 1.51 -0.05 5.22 0.08 0.73 -0.80 117.98 124.23 3d2t s PHE 33 Ca 0.06 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.53 3d2t s PHE 33 Cb -0.12 -0.75 0.01 0.00 -0.57 0.00 0.00 43.02 41.59 3d2t s PHE 33 CO 0.02 0.22 -0.12 0.50 -0.10 0.00 0.00 175.22 175.74 3d2t s ARG 34 N -3.24 1.53 -0.03 0.44 3.52 0.47 -0.93 118.95 120.71 3d2t s ARG 34 Ca 0.16 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.04 3d2t s ARG 34 Cb -0.02 -1.31 -0.05 0.00 -1.56 0.00 0.00 34.95 32.01 3d2t s ARG 34 CO 0.04 0.08 1.44 0.21 -0.81 0.00 0.00 175.30 176.26 3d2t s LYS 35 N 0.46 4.25 0.70 5.12 2.20 0.03 -0.96 119.74 131.54 3d2t s LYS 35 Ca -0.10 1.98 -0.06 0.00 -0.36 0.00 0.00 55.97 57.43 3d2t s LYS 35 Cb -0.13 -3.69 0.07 0.00 -1.51 0.00 0.00 37.83 32.57 3d2t s LYS 35 CO 0.03 -0.66 1.00 0.00 -0.36 0.00 0.00 175.35 175.36 3d2t s ALA 36 N 2.90 3.24 0.30 3.13 0.00 0.79 -4.69 121.76 127.44 3d2t s ALA 36 Ca 0.65 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.59 3d2t s ALA 36 Cb -0.31 -2.49 0.75 0.00 0.00 0.00 0.00 23.12 21.07 3d2t s ALA 36 CO 0.26 -1.31 1.72 0.00 0.00 0.00 0.00 175.76 176.43 3d2t h ALA 37 N -0.57 1.55 -0.35 0.00 0.00 -1.94 -0.39 119.26 117.56 3d2t h ALA 37 Ca -0.43 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3d2t h ALA 37 Cb 1.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3d2t h ALA 37 CO 0.56 -0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 3d2t n ASP 38 N -4.94 3.06 -0.12 0.00 5.68 -1.26 -4.90 116.55 114.08 3d2t n ASP 38 Ca 0.23 -2.32 -0.02 0.00 -0.50 0.00 0.00 54.79 52.18 3d2t n ASP 38 Cb 0.64 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 3d2t n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3d2t n ASP 39 N 0.46 -3.53 -4.96 -1.12 2.03 -0.16 -5.03 116.55 104.25 3d2t n ASP 39 Ca 0.14 0.04 -0.23 0.00 0.52 0.00 0.00 54.79 55.27 3d2t n ASP 39 Cb 0.61 -1.16 -0.02 0.00 -0.72 0.00 0.00 41.12 39.83 3d2t n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3d2t s THR 40 N -1.94 5.25 -0.44 5.18 -4.23 -1.26 -4.82 115.64 113.38 3d2t s THR 40 Ca 0.00 -0.91 -0.21 0.00 -1.18 0.00 0.00 61.69 59.39 3d2t s THR 40 Cb 0.00 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3d2t s THR 40 CO 0.00 -0.25 0.68 0.26 -0.54 0.00 0.00 174.62 174.77 3d2t s TRP 41 N -1.91 3.05 -0.04 3.99 0.52 -1.26 -0.15 118.94 123.14 3d2t s TRP 41 Ca 0.34 0.01 -0.17 0.00 0.02 0.00 0.00 56.10 56.31 3d2t s TRP 41 Cb -0.10 -3.43 -0.05 0.00 -1.15 0.00 0.00 33.47 28.74 3d2t s TRP 41 CO 0.29 -0.90 0.45 -1.21 0.02 0.00 0.00 176.95 175.60 3d2t s GLU 42 N 2.95 4.14 -0.12 4.98 0.41 -0.13 -4.85 118.70 126.08 3d2t s GLU 42 Ca 0.25 0.46 -0.35 0.00 -0.41 0.00 0.00 54.97 54.92 3d2t s GLU 42 Cb -0.14 -3.31 -0.12 0.00 -1.78 0.00 0.00 34.13 28.78 3d2t s GLU 42 CO 0.20 0.46 1.85 -2.30 -0.49 0.00 0.00 175.26 174.98 3d2t n PRO 43 N 2.59 2.01 -0.12 0.39 -0.02 -1.26 -0.39 135.00 138.19 3d2t n PRO 43 Ca -0.11 0.74 -0.25 0.00 -2.02 0.00 0.00 63.50 61.86 3d2t n PRO 43 Cb 0.52 -2.55 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 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 6.38 0.00 -3.55 6.00 7.35 0.02 -4.80 117.46 128.86 3d2t n PHE 44 Ca 0.23 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.85 3d2t n PHE 44 Cb 0.27 -0.86 -0.02 0.00 0.35 0.00 0.00 39.48 39.21 3d2t n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3d2t s ALA 45 N -2.44 -1.92 0.20 3.13 0.00 -1.03 -5.02 121.76 114.68 3d2t s ALA 45 Ca -0.33 1.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 3d2t s ALA 45 Cb 0.13 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.33 3d2t s ALA 45 CO 0.42 -0.60 0.55 -1.54 0.00 0.00 0.00 175.76 174.59 3d2t s SER 46 N -2.17 -0.28 0.00 0.00 1.04 -1.26 -0.18 113.70 110.86 3d2t s SER 46 Ca 0.06 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3d2t s SER 46 Cb -0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3d2t s SER 46 CO -0.06 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3d2t n GLY 47 N -0.36 -1.13 2.99 7.32 0.00 -0.47 -4.97 105.19 108.58 3d2t n GLY 47 Ca -0.09 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 3d2t n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d2t s LYS 48 N -0.40 0.35 0.52 1.61 -2.85 -1.26 -0.72 119.74 117.00 3d2t s LYS 48 Ca 0.00 -0.69 -0.21 0.00 -1.00 0.00 0.00 55.97 54.07 3d2t s LYS 48 Cb 0.00 0.12 -0.06 0.00 -2.06 0.00 0.00 37.83 35.84 3d2t s LYS 48 CO 0.00 -0.06 1.22 0.95 0.10 0.00 0.00 175.35 177.56 3d2t s THR 49 N -1.77 2.74 0.26 3.79 -4.23 -0.55 -4.75 115.64 111.13 3d2t s THR 49 Ca -0.13 0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 3d2t s THR 49 Cb -0.08 -3.25 0.06 0.00 1.34 0.00 0.00 72.50 70.57 3d2t s THR 49 CO -0.02 -0.04 0.35 -1.54 -0.54 0.00 0.00 174.62 172.83 3d2t n SER 50 N -0.96 0.14 0.31 3.99 3.41 0.17 -0.84 113.62 119.83 3d2t n SER 50 Ca 0.10 -1.20 0.17 0.00 -0.26 0.00 0.00 58.87 57.68 3d2t n SER 50 Cb 0.48 -0.26 0.98 0.00 -0.26 0.00 0.00 64.21 65.15 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 -0.29 4.33 3.07 -1.94 -0.83 114.58 118.92 3d2t h GLU 51 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 3d2t h GLU 51 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3d2t h GLU 51 CO 0.09 0.01 0.00 -1.13 -1.40 0.00 0.00 179.01 176.58 3d2t n SER 52 N -3.66 2.24 -0.05 1.42 3.41 -1.26 -4.81 113.62 110.92 3d2t n SER 52 Ca -0.03 -1.85 -0.01 0.00 -0.26 0.00 0.00 58.87 56.73 3d2t n SER 52 Cb 0.09 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.23 0.47 3.69 5.00 0.00 -0.32 -4.78 105.19 110.48 3d2t n GLY 53 Ca 0.16 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.69 2.67 -0.15 1.61 2.02 -1.26 -0.70 118.70 122.20 3d2t s GLU 54 Ca 0.00 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.25 3d2t s GLU 54 Cb 0.00 -2.61 0.04 0.00 0.10 0.00 0.00 34.13 31.66 3d2t s GLU 54 CO 0.00 0.58 -0.06 -1.17 0.02 0.00 0.00 175.26 174.63 3d2t s LEU 55 N -2.01 1.43 0.43 1.80 2.96 0.35 -0.66 118.68 122.99 3d2t s LEU 55 Ca 0.23 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 3d2t s LEU 55 Cb -0.12 -0.87 -0.06 0.00 0.50 0.00 0.00 46.19 45.65 3d2t s LEU 55 CO 0.15 -0.17 0.02 -1.00 -1.32 0.00 0.00 176.35 174.04 3d2t s HIS 56 N 1.67 2.22 -0.69 5.38 3.76 -1.26 -1.74 115.29 124.63 3d2t s HIS 56 Ca 0.02 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 3d2t s HIS 56 Cb -0.14 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 31.92 3d2t s HIS 56 CO -0.08 0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 3d2t n GLY 57 N -1.01 0.81 0.27 -2.22 0.00 -1.26 -4.92 105.19 96.86 3d2t n GLY 57 Ca -0.09 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 0.98 -8.23 0.99 3.38 -1.89 -3.47 115.31 107.08 3d2t h LEU 58 Ca -0.14 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 3d2t h LEU 58 Cb 0.50 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3d2t h LEU 58 CO 0.20 1.22 0.01 0.28 0.09 0.00 0.00 178.44 180.24 3d2t s THR 59 N -4.45 0.00 0.29 0.22 -1.32 -1.26 -4.82 115.64 104.30 3d2t s THR 59 Ca -0.11 -1.30 0.10 0.00 -1.21 0.00 0.00 61.69 59.16 3d2t s THR 59 Cb 0.12 -2.46 -0.05 0.00 -1.51 0.00 0.00 72.50 68.60 3d2t s THR 59 CO 0.88 0.00 -0.01 0.42 -2.21 0.00 0.00 174.62 173.70 3d2t s THR 60 N -3.33 3.13 0.30 5.08 -4.23 -1.26 -4.57 115.64 110.75 3d2t s THR 60 Ca 0.21 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.81 3d2t s THR 60 Cb -0.02 -2.78 0.29 0.00 1.34 0.00 0.00 72.50 71.32 3d2t s THR 60 CO 0.12 -0.32 1.70 1.05 -0.54 0.00 0.00 174.62 176.63 3d2t h GLU 61 N 1.88 0.41 -0.43 3.99 -0.00 -1.99 -1.53 114.58 116.91 3d2t h GLU 61 Ca -0.43 -0.02 -0.14 0.00 -0.00 0.00 0.00 59.36 58.76 3d2t h GLU 61 Cb 1.25 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.90 3d2t h GLU 61 CO 0.62 0.27 -0.27 0.93 -0.00 0.00 0.00 179.01 180.56 3d2t h GLU 62 N 0.42 0.95 0.00 1.06 5.08 -2.04 -3.22 114.58 116.84 3d2t h GLU 62 Ca 0.58 -0.44 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 3d2t h GLU 62 Cb 1.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3d2t h GLU 62 CO -0.52 1.10 -0.70 0.93 -1.00 0.00 0.00 179.01 178.82 3d2t h GLU 63 N 0.78 0.00 -3.96 2.33 4.39 -1.84 -3.39 114.58 112.89 3d2t h GLU 63 Ca 0.09 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.05 3d2t h GLU 63 Cb 0.85 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.37 3d2t h GLU 63 CO 0.08 0.62 2.13 0.34 -1.16 0.00 0.00 179.01 181.02 3d2t n PHE 64 N -3.24 3.50 -2.09 4.33 -0.00 -0.62 -4.96 117.46 114.38 3d2t n PHE 64 Ca 0.01 -2.92 -0.28 0.00 -0.00 0.00 0.00 57.45 54.25 3d2t n PHE 64 Cb 0.80 -2.15 0.14 0.00 -0.00 0.00 0.00 39.48 38.28 3d2t n PHE 64 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 3d2t s VAL 65 N 1.35 2.06 0.47 -2.13 -7.23 -1.26 -4.95 120.40 108.71 3d2t s VAL 65 Ca 0.42 -0.15 -0.24 0.00 -1.81 0.00 0.00 61.98 60.21 3d2t s VAL 65 Cb 0.08 -2.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.03 3d2t s VAL 65 CO -0.01 0.00 1.19 1.21 -0.31 0.00 0.00 175.10 177.18 3d2t n GLU 66 N -3.42 1.63 -3.72 4.82 0.00 -1.26 -4.80 120.64 113.90 3d2t n GLU 66 Ca 0.13 0.59 0.00 0.00 0.00 0.00 0.00 57.16 57.88 3d2t n GLU 66 Cb 0.60 -2.32 0.00 0.00 0.00 0.00 0.00 31.44 29.72 3d2t n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3d2t n GLY 67 N 0.94 -2.07 3.52 8.31 0.00 -0.95 -4.99 105.19 109.95 3d2t n GLY 67 Ca 0.09 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.33 4.39 0.02 -0.61 1.01 -1.26 -0.53 121.20 121.89 3d2t s ILE 68 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.55 3d2t s ILE 68 Cb 0.00 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3d2t s ILE 68 CO 0.00 0.40 -0.17 -0.31 0.00 0.00 0.00 174.94 174.86 3d2t s TYR 69 N 0.99 2.59 -0.18 3.97 1.51 0.54 -0.79 117.35 125.98 3d2t s TYR 69 Ca 0.03 -0.24 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 3d2t s TYR 69 Cb -0.14 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 3d2t s TYR 69 CO 0.03 0.23 -0.15 0.21 -1.11 0.00 0.00 175.55 174.76 3d2t s LYS 70 N -1.28 3.15 -0.30 -0.62 2.20 -0.11 -1.15 119.74 121.64 3d2t s LYS 70 Ca 0.14 -0.76 -0.08 0.00 -0.36 0.00 0.00 55.97 54.91 3d2t s LYS 70 Cb -0.11 -2.68 -0.00 0.00 -1.51 0.00 0.00 37.83 33.53 3d2t s LYS 70 CO 0.04 -0.12 0.12 0.08 -0.36 0.00 0.00 175.35 175.11 3d2t s VAL 71 N 1.15 4.31 -0.22 4.02 1.01 0.59 -0.19 120.40 131.07 3d2t s VAL 71 Ca 0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3d2t s VAL 71 Cb -0.14 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3d2t s VAL 71 CO -0.06 0.09 0.04 -0.70 0.00 0.00 0.00 175.10 174.47 3d2t s GLU 72 N 1.57 3.66 -0.25 2.72 2.12 0.12 -0.57 118.70 128.06 3d2t s GLU 72 Ca 0.04 -0.49 -0.07 0.00 0.36 0.00 0.00 54.97 54.81 3d2t s GLU 72 Cb -0.17 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 3d2t s GLU 72 CO 0.04 -0.06 0.06 0.42 -0.54 0.00 0.00 175.26 175.19 3d2t s ILE 73 N 1.23 4.22 -1.36 -3.70 1.01 1.00 -1.01 121.20 122.59 3d2t s ILE 73 Ca 0.04 -0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 3d2t s ILE 73 Cb -0.15 -2.99 0.08 0.00 0.01 0.00 0.00 42.46 39.42 3d2t s ILE 73 CO 0.02 0.33 1.95 0.47 0.00 0.00 0.00 174.94 177.71 3d2t n ASP 74 N 4.91 4.51 -0.08 3.58 10.43 0.02 -1.39 116.55 138.53 3d2t n ASP 74 Ca -0.16 -2.91 -0.08 0.00 2.57 0.00 0.00 54.79 54.21 3d2t n ASP 74 Cb 0.51 -1.66 0.09 0.00 1.84 0.00 0.00 41.12 41.91 3d2t n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3d2t h THR 75 N 4.56 1.27 -0.29 -3.53 1.35 -1.87 -3.10 112.91 111.31 3d2t h THR 75 Ca 0.48 -1.34 0.01 0.00 -0.55 0.00 0.00 66.41 65.02 3d2t h THR 75 Cb 0.74 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 3d2t h THR 75 CO 1.65 0.45 0.16 0.50 -0.25 0.00 0.00 175.52 178.03 3d2t h LYS 76 N 0.66 0.32 -0.63 4.72 3.64 -1.69 -1.39 116.57 122.20 3d2t h LYS 76 Ca 0.09 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3d2t h LYS 76 Cb 0.74 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3d2t h LYS 76 CO 0.06 0.21 0.27 0.77 -2.27 0.00 0.00 179.45 178.49 3d2t h SER 77 N 0.33 0.82 -0.02 4.20 0.02 -1.83 -0.30 113.55 116.77 3d2t h SER 77 Ca 0.11 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3d2t h SER 77 Cb 0.01 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3d2t h SER 77 CO -0.06 0.72 -0.01 0.22 -1.14 0.00 0.00 176.83 176.55 3d2t h TYR 78 N 0.89 -0.03 -0.14 3.45 3.20 -1.34 -2.32 116.97 120.68 3d2t h TYR 78 Ca 0.21 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.94 3d2t h TYR 78 Cb 0.14 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3d2t h TYR 78 CO 0.01 -0.02 -0.54 -1.49 -1.64 0.00 0.00 178.16 174.48 3d2t h TRP 79 N -0.02 0.51 -0.59 -3.82 -0.00 -0.94 -3.10 115.95 108.00 3d2t h TRP 79 Ca 0.01 -0.18 -0.07 0.00 -0.00 0.00 0.00 58.89 58.65 3d2t h TRP 79 Cb 0.04 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.07 3d2t h TRP 79 CO -0.10 0.86 0.07 0.87 -0.00 0.00 0.00 178.44 180.14 3d2t h LYS 80 N 0.32 0.96 0.00 0.49 1.57 -0.90 -0.47 116.57 118.53 3d2t h LYS 80 Ca 0.01 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3d2t h LYS 80 Cb 1.05 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 3d2t h LYS 80 CO 0.09 0.90 -0.08 0.00 -0.57 0.00 0.00 179.45 179.80 3d2t h ALA 81 N 1.17 1.20 -0.10 3.86 0.00 -1.35 -2.01 119.26 122.03 3d2t h ALA 81 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d2t h ALA 81 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3d2t h ALA 81 CO 0.01 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.64 3d2t n LEU 82 N -3.46 2.14 0.00 0.00 4.77 -0.78 -4.95 117.00 114.72 3d2t n LEU 82 Ca -0.02 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3d2t n LEU 82 Cb 0.22 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3d2t n LEU 82 CO 0.28 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3d2t n GLY 83 N 1.25 0.63 3.49 -0.72 0.00 -0.75 -5.05 105.19 104.03 3d2t n GLY 83 Ca 0.17 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 3.63 -0.60 -0.61 1.01 -0.26 -5.01 121.20 117.36 3d2t s ILE 84 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 60.65 59.99 3d2t s ILE 84 Cb 0.00 -2.55 0.10 0.00 0.01 0.00 0.00 42.46 40.02 3d2t s ILE 84 CO 0.00 0.53 0.75 -0.44 0.00 0.00 0.00 174.94 175.78 3d2t s SER 85 N 0.08 6.18 0.73 3.58 0.01 -1.26 -2.85 113.70 120.17 3d2t s SER 85 Ca -0.02 -1.36 -0.05 0.00 1.31 0.00 0.00 55.95 55.82 3d2t s SER 85 Cb -0.14 -2.32 0.10 0.00 0.21 0.00 0.00 66.02 63.87 3d2t s SER 85 CO 0.03 -1.17 1.03 -2.16 0.41 0.00 0.00 173.24 171.38 3d2t s PRO 86 N 2.92 1.79 -0.13 12.44 0.04 -1.26 -4.99 135.00 145.80 3d2t s PRO 86 Ca 0.13 -0.66 -0.28 0.00 0.04 0.00 0.00 61.00 60.23 3d2t s PRO 86 Cb -0.23 -2.21 -0.26 0.00 0.04 0.00 0.00 34.50 31.83 3d2t s PRO 86 CO 0.07 -1.45 0.77 0.35 0.04 0.00 0.00 177.00 176.78 3d2t h PHE 87 N -0.66 0.05 -3.76 0.56 3.57 -1.37 -3.47 116.94 111.85 3d2t h PHE 87 Ca -0.41 -0.03 -0.49 0.00 3.53 0.00 0.00 57.97 60.57 3d2t h PHE 87 Cb 1.28 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 3d2t h PHE 87 CO -0.11 1.03 0.21 -1.01 -2.23 0.00 0.00 178.31 176.21 3d2t s HIS 88 N -2.24 3.58 0.14 0.41 3.76 -1.26 -4.98 115.29 114.70 3d2t s HIS 88 Ca -0.19 1.52 -0.10 0.00 -0.15 0.00 0.00 55.06 56.14 3d2t s HIS 88 Cb -0.03 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 3d2t s HIS 88 CO 0.70 0.20 1.47 0.93 -0.85 0.00 0.00 174.74 177.19 3d2t h GLU 89 N 2.97 0.91 -2.41 1.40 4.39 -1.98 -3.36 114.58 116.51 3d2t h GLU 89 Ca -0.48 -0.50 0.17 0.00 0.34 0.00 0.00 59.36 58.89 3d2t h GLU 89 Cb 1.19 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3d2t h GLU 89 CO 0.65 1.15 0.48 -3.38 -1.16 0.00 0.00 179.01 176.75 3d2t s HIS 90 N -4.32 -0.10 -0.23 4.33 -3.43 -1.26 -3.03 115.29 107.25 3d2t s HIS 90 Ca -0.11 -0.24 -0.05 0.00 -0.80 0.00 0.00 55.06 53.86 3d2t s HIS 90 Cb 0.11 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.90 3d2t s HIS 90 CO 0.88 -0.88 0.01 0.00 -2.00 0.00 0.00 174.74 172.75 3d2t s ALA 91 N -3.14 2.99 -0.12 -1.38 0.00 -0.49 -4.89 121.76 114.73 3d2t s ALA 91 Ca 0.14 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3d2t s ALA 91 Cb -0.02 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 3d2t s ALA 91 CO 0.03 -0.39 -0.01 -1.21 0.00 0.00 0.00 175.76 174.18 3d2t s GLU 92 N 1.43 3.35 -0.17 0.00 2.02 -1.26 -0.00 118.70 124.07 3d2t s GLU 92 Ca 0.05 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.61 3d2t s GLU 92 Cb -0.15 -2.88 0.03 0.00 0.10 0.00 0.00 34.13 31.23 3d2t s GLU 92 CO 0.00 0.49 -0.15 0.08 0.02 0.00 0.00 175.26 175.70 3d2t s VAL 93 N -0.29 1.76 -0.12 2.63 1.01 0.27 -4.97 120.40 120.69 3d2t s VAL 93 Ca 0.06 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3d2t s VAL 93 Cb -0.12 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3d2t s VAL 93 CO 0.02 0.43 -0.22 -0.69 0.00 0.00 0.00 175.10 174.64 3d2t s VAL 94 N 1.40 1.95 0.01 2.92 1.01 -1.26 -0.30 120.40 126.13 3d2t s VAL 94 Ca 0.04 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.87 3d2t s VAL 94 Cb -0.14 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.58 3d2t s VAL 94 CO -0.11 0.53 0.47 0.72 0.00 0.00 0.00 175.10 176.71 3d2t s PHE 95 N 0.62 -0.36 -0.03 5.22 -0.12 -0.30 -4.99 117.98 118.02 3d2t s PHE 95 Ca -0.13 0.48 -0.26 0.00 -0.05 0.00 0.00 56.93 56.97 3d2t s PHE 95 Cb -0.17 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 3d2t s PHE 95 CO 0.03 -0.55 0.81 0.99 -0.05 0.00 0.00 175.22 176.45 3d2t s THR 96 N -1.93 4.95 -0.04 -4.49 2.01 -1.26 -0.34 115.64 114.54 3d2t s THR 96 Ca -0.08 1.70 0.06 0.00 0.31 0.00 0.00 61.69 63.68 3d2t s THR 96 Cb -0.02 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 3d2t s THR 96 CO 0.02 0.23 -0.23 0.00 -0.69 0.00 0.00 174.62 173.95 3d2t s ALA 97 N 0.79 2.29 -1.04 7.40 0.00 0.31 -4.80 121.76 126.71 3d2t s ALA 97 Ca 0.43 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3d2t s ALA 97 Cb -0.19 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.23 3d2t s ALA 97 CO 0.22 0.50 0.00 0.09 0.00 0.00 0.00 175.76 176.57 3d2t n ASN 98 N 2.57 -3.96 0.01 0.00 3.02 -1.26 -2.24 115.26 113.40 3d2t n ASN 98 Ca -0.17 0.15 0.14 0.00 -0.03 0.00 0.00 54.58 54.67 3d2t n ASN 98 Cb 0.52 -2.73 0.59 0.00 -0.61 0.00 0.00 39.78 37.55 3d2t n ASN 98 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3d2t n ASP 99 N 0.16 0.08 -2.93 6.41 2.03 -1.26 -2.59 116.55 118.45 3d2t n ASP 99 Ca -0.11 0.51 -0.24 0.00 0.52 0.00 0.00 54.79 55.46 3d2t n ASP 99 Cb 0.45 -0.53 -0.03 0.00 -0.72 0.00 0.00 41.12 40.29 3d2t n ASP 99 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3d2t n SER 100 N -1.58 3.49 0.00 1.67 3.41 -1.26 -5.10 113.62 114.25 3d2t n SER 100 Ca 0.07 -3.48 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 3d2t n SER 100 Cb 0.35 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3d2t n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d2t n GLY 101 N -0.14 -1.18 3.77 5.00 0.00 -1.07 -4.95 105.19 106.62 3d2t n GLY 101 Ca 0.29 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 3d2t n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d2t s PRO 102 N -1.96 4.37 0.25 1.61 0.04 -1.26 -4.35 135.00 133.71 3d2t s PRO 102 Ca 0.00 2.20 0.02 0.00 0.04 0.00 0.00 61.00 63.26 3d2t s PRO 102 Cb 0.00 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 3d2t s PRO 102 CO 0.00 -0.17 0.05 1.03 0.04 0.00 0.00 177.00 177.95 3d2t s ARG 103 N -1.76 1.41 -0.14 4.56 1.81 -1.26 -4.88 118.95 118.69 3d2t s ARG 103 Ca 0.49 -1.75 -0.04 0.00 -1.72 0.00 0.00 55.73 52.72 3d2t s ARG 103 Cb -0.39 -0.47 -0.03 0.00 -0.45 0.00 0.00 34.95 33.61 3d2t s ARG 103 CO 0.52 -0.21 -0.01 1.03 -0.68 0.00 0.00 175.30 175.95 3d2t s ARG 104 N -3.95 3.52 -0.09 3.54 0.52 0.07 -4.85 118.95 117.71 3d2t s ARG 104 Ca 0.34 -0.46 0.04 0.00 -0.52 0.00 0.00 55.73 55.13 3d2t s ARG 104 Cb 0.07 -2.92 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 3d2t s ARG 104 CO 0.12 0.38 -0.23 0.71 0.02 0.00 0.00 175.30 176.30 3d2t s TYR 105 N 0.00 2.55 -0.18 -0.53 1.51 0.29 -1.20 117.35 119.79 3d2t s TYR 105 Ca 0.02 -0.86 -0.02 0.00 -1.01 0.00 0.00 57.07 55.20 3d2t s TYR 105 Cb -0.13 -1.68 -0.00 0.00 -0.11 0.00 0.00 41.96 40.03 3d2t s TYR 105 CO 0.02 -0.31 -0.11 0.99 -1.11 0.00 0.00 175.55 175.04 3d2t s THR 106 N 0.13 2.97 -0.33 -0.71 2.01 -0.06 -1.19 115.64 118.46 3d2t s THR 106 Ca -0.12 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 3d2t s THR 106 Cb -0.16 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 3d2t s THR 106 CO 0.06 0.48 0.22 -0.63 -0.69 0.00 0.00 174.62 174.07 3d2t s ILE 107 N 1.06 5.19 -0.11 1.82 -1.09 0.22 -1.32 121.20 126.97 3d2t s ILE 107 Ca -0.00 -0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.22 3d2t s ILE 107 Cb -0.15 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 3d2t s ILE 107 CO -0.02 0.04 -0.07 0.00 -1.23 0.00 0.00 174.94 173.65 3d2t s ALA 108 N 1.71 2.90 -0.02 9.38 0.00 -0.44 -1.03 121.76 134.26 3d2t s ALA 108 Ca 0.06 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.21 3d2t s ALA 108 Cb -0.17 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 3d2t s ALA 108 CO 0.10 0.37 -0.19 0.00 0.00 0.00 0.00 175.76 176.04 3d2t s ALA 109 N -0.13 1.60 -0.16 0.00 0.00 -0.01 -1.25 121.76 121.81 3d2t s ALA 109 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3d2t s ALA 109 Cb -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3d2t s ALA 109 CO 0.03 0.38 -0.17 -1.17 0.00 0.00 0.00 175.76 174.83 3d2t s LEU 110 N -0.40 2.37 -0.13 0.00 2.96 0.29 -1.18 118.68 122.59 3d2t s LEU 110 Ca 0.06 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3d2t s LEU 110 Cb -0.08 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3d2t s LEU 110 CO -0.00 0.06 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.24 3d2t s LEU 111 N 0.96 2.97 0.19 -0.68 1.43 -0.30 -1.11 118.68 122.13 3d2t s LEU 111 Ca -0.03 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3d2t s LEU 111 Cb -0.15 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 3d2t s LEU 111 CO -0.03 0.19 -0.11 -0.44 0.23 0.00 0.00 176.35 176.19 3d2t s SER 112 N 0.22 2.22 0.38 2.29 0.01 0.75 -1.04 113.70 118.52 3d2t s SER 112 Ca -0.06 -1.05 0.09 0.00 1.31 0.00 0.00 55.95 56.25 3d2t s SER 112 Cb -0.15 -0.08 0.85 0.00 0.21 0.00 0.00 66.02 66.85 3d2t s SER 112 CO 0.04 -0.28 1.92 -0.65 0.41 0.00 0.00 173.24 174.69 3d2t h PRO 113 N 2.61 0.63 -0.15 12.44 0.11 -1.99 -2.83 132.00 142.82 3d2t h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3d2t h PRO 113 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3d2t h PRO 113 CO 0.63 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 3d2t n TYR 114 N -4.51 0.43 -3.59 0.65 4.02 -1.26 -0.89 117.16 112.01 3d2t n TYR 114 Ca 0.14 -0.82 -0.16 0.00 -0.01 0.00 0.00 57.90 57.05 3d2t n TYR 114 Cb 0.38 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.45 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 -2.00 -0.67 0.07 7.72 0.15 -1.07 -4.95 113.70 112.95 3d2t s SER 115 Ca 0.30 1.01 -0.05 0.00 0.70 0.00 0.00 55.95 57.91 3d2t s SER 115 Cb 0.24 0.94 -0.02 0.00 -1.71 0.00 0.00 66.02 65.47 3d2t s SER 115 CO 0.07 -0.43 0.08 -0.72 1.20 0.00 0.00 173.24 173.44 3d2t s TYR 116 N -0.46 0.33 0.07 3.44 -0.85 -1.26 -0.18 117.35 118.44 3d2t s TYR 116 Ca -0.06 -0.80 0.07 0.00 -0.52 0.00 0.00 57.07 55.76 3d2t s TYR 116 Cb -0.02 -0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.06 3d2t s TYR 116 CO 0.05 -0.45 -0.20 -1.12 -1.52 0.00 0.00 175.55 172.32 3d2t s SER 117 N -2.83 2.37 -0.02 -0.18 0.01 -0.27 -4.98 113.70 107.80 3d2t s SER 117 Ca 0.05 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 3d2t s SER 117 Cb 0.06 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.16 3d2t s SER 117 CO -0.10 0.08 0.04 0.28 0.41 0.00 0.00 173.24 173.95 3d2t s THR 118 N -1.02 -0.04 0.20 1.44 -1.32 -1.26 -0.55 115.64 113.09 3d2t s THR 118 Ca 0.06 0.14 0.03 0.00 -1.21 0.00 0.00 61.69 60.71 3d2t s THR 118 Cb -0.09 -0.09 -0.05 0.00 -1.51 0.00 0.00 72.50 70.76 3d2t s THR 118 CO 0.03 0.06 -0.01 -0.89 -2.21 0.00 0.00 174.62 171.60 3d2t s THR 119 N 0.75 0.85 -0.00 5.08 2.01 -0.38 -4.99 115.64 118.95 3d2t s THR 119 Ca -0.06 -2.01 0.05 0.00 0.31 0.00 0.00 61.69 59.98 3d2t s THR 119 Cb -0.09 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 3d2t s THR 119 CO -0.02 -0.43 -0.16 0.00 -0.69 0.00 0.00 174.62 173.32 3d2t s ALA 120 N -3.54 1.36 -0.21 7.40 0.00 -1.26 -1.33 121.76 124.17 3d2t s ALA 120 Ca 0.25 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 3d2t s ALA 120 Cb 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3d2t s ALA 120 CO 0.06 0.32 -0.08 0.08 0.00 0.00 0.00 175.76 176.14 3d2t s VAL 121 N -0.45 3.05 -0.17 0.00 1.01 -0.43 -4.97 120.40 118.43 3d2t s VAL 121 Ca 0.06 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3d2t s VAL 121 Cb -0.07 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.95 3d2t s VAL 121 CO -0.00 0.43 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 3d2t s VAL 122 N 1.43 1.96 0.31 2.92 1.01 -1.26 -0.88 120.40 125.88 3d2t s VAL 122 Ca 0.05 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3d2t s VAL 122 Cb -0.14 -1.78 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 3d2t s VAL 122 CO -0.06 0.51 -0.01 0.42 0.00 0.00 0.00 175.10 175.97 3d2t s THR 123 N 1.33 1.50 -2.00 3.92 -4.23 -0.34 -4.97 115.64 110.85 3d2t s THR 123 Ca 0.05 -2.06 0.29 0.00 -1.18 0.00 0.00 61.69 58.79 3d2t s THR 123 Cb -0.13 -2.63 0.84 0.00 1.34 0.00 0.00 72.50 71.91 3d2t s THR 123 CO -0.12 -0.16 2.09 -3.20 -0.54 0.00 0.00 174.62 172.69