#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cn0 s LEU 12 N 0.00 0.39 0.03 1.53 2.96 -1.26 -0.76 118.68 121.58 3cn0 s LEU 12 Ca 0.00 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 3cn0 s LEU 12 Cb 0.00 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.36 3cn0 s LEU 12 CO 0.00 -0.22 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.35 3cn0 s MET 13 N 2.06 0.95 -0.08 1.98 -2.45 -0.33 -4.43 119.30 117.00 3cn0 s MET 13 Ca 0.05 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.80 3cn0 s MET 13 Cb -0.12 -0.95 0.01 0.00 1.25 0.00 0.00 34.83 35.01 3cn0 s MET 13 CO -0.04 0.24 -0.18 0.08 1.05 0.00 0.00 175.02 176.16 3cn0 s VAL 14 N -0.79 1.62 -0.07 10.11 1.01 -0.88 -0.83 120.40 130.57 3cn0 s VAL 14 Ca 0.02 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3cn0 s VAL 14 Cb -0.08 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.89 3cn0 s VAL 14 CO 0.01 0.46 -0.19 -0.75 0.00 0.00 0.00 175.10 174.63 3cn0 s LYS 15 N 0.46 2.27 -0.05 2.72 2.20 0.04 -0.54 119.74 126.85 3cn0 s LYS 15 Ca -0.16 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 3cn0 s LYS 15 Cb -0.17 -1.83 0.02 0.00 -1.51 0.00 0.00 37.83 34.35 3cn0 s LYS 15 CO 0.06 0.17 -0.06 0.08 -0.36 0.00 0.00 175.35 175.24 3cn0 s VAL 16 N 0.30 0.68 0.16 4.02 1.01 -0.01 -0.84 120.40 125.72 3cn0 s VAL 16 Ca -0.12 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 61.75 3cn0 s VAL 16 Cb -0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3cn0 s VAL 16 CO 0.05 0.25 -0.19 -0.76 0.00 0.00 0.00 175.10 174.45 3cn0 s LEU 17 N 0.82 2.62 -0.28 3.92 1.43 -0.07 -1.21 118.68 125.92 3cn0 s LEU 17 Ca -0.12 -0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 52.21 3cn0 s LEU 17 Cb -0.15 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.70 3cn0 s LEU 17 CO 0.01 0.14 0.04 -0.62 0.23 0.00 0.00 176.35 176.15 3cn0 s ASP 18 N -2.51 4.92 0.06 2.29 -1.08 0.40 -1.05 116.67 119.69 3cn0 s ASP 18 Ca 0.20 -0.70 0.28 0.00 -0.52 0.00 0.00 52.55 51.81 3cn0 s ASP 18 Cb -0.09 -1.83 1.11 0.00 -1.46 0.00 0.00 42.92 40.65 3cn0 s ASP 18 CO 0.11 -0.16 1.87 0.00 0.52 0.00 0.00 175.17 177.51 3cn0 n ALA 19 N 4.82 2.29 0.07 3.66 0.00 -0.02 -1.37 120.51 129.97 3cn0 n ALA 19 Ca -0.15 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 3cn0 n ALA 19 Cb 0.48 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 3cn0 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cn0 h VAL 20 N 0.00 0.99 0.00 0.00 2.07 -1.95 -3.39 116.25 113.97 3cn0 h VAL 20 Ca 0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3cn0 h VAL 20 Cb 0.55 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3cn0 h VAL 20 CO 0.00 0.84 -1.01 0.54 0.02 0.00 0.00 177.57 177.96 3cn0 n ARG 21 N -3.66 0.50 -3.07 1.57 1.74 -1.23 -5.01 116.66 107.50 3cn0 n ARG 21 Ca -0.24 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.70 3cn0 n ARG 21 Cb 1.05 -1.43 0.07 0.00 -1.02 0.00 0.00 32.46 31.13 3cn0 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cn0 n GLY 22 N 1.46 -0.33 3.39 -0.13 0.00 -0.47 -5.03 105.19 104.08 3cn0 n GLY 22 Ca 0.03 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 3cn0 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cn0 s SER 23 N -3.89 -0.14 0.58 1.61 1.04 -1.11 -5.01 113.70 106.78 3cn0 s SER 23 Ca 0.09 -0.55 -0.20 0.00 0.48 0.00 0.00 55.95 55.77 3cn0 s SER 23 Cb -0.01 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 3cn0 s SER 23 CO 0.58 -0.93 1.20 -0.81 0.98 0.00 0.00 173.24 174.25 3cn0 n PRO 24 N -0.25 1.28 -3.09 4.02 -0.04 -1.26 -0.46 135.00 135.20 3cn0 n PRO 24 Ca -0.11 0.48 -0.43 0.00 -0.04 0.00 0.00 63.50 63.40 3cn0 n PRO 24 Cb 0.63 -2.40 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 3cn0 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cn0 s ALA 25 N -1.38 3.34 0.12 0.55 0.00 -0.35 -4.53 121.76 119.51 3cn0 s ALA 25 Ca 0.75 -1.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.14 3cn0 s ALA 25 Cb -0.42 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 3cn0 s ALA 25 CO 0.47 -1.96 0.50 0.42 0.00 0.00 0.00 175.76 175.18 3cn0 s ILE 26 N 2.89 4.94 -1.48 0.00 1.01 -1.26 -4.30 121.20 122.99 3cn0 s ILE 26 Ca 0.20 0.71 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 3cn0 s ILE 26 Cb -0.16 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3cn0 s ILE 26 CO 0.16 0.27 0.30 0.59 0.00 0.00 0.00 174.94 176.26 3cn0 n ASN 27 N 0.88 -5.53 -4.68 3.58 3.02 -0.40 -4.95 115.26 107.18 3cn0 n ASN 27 Ca -0.06 -0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 53.93 3cn0 n ASN 27 Cb 0.52 -4.46 -0.04 0.00 -0.61 0.00 0.00 39.78 35.19 3cn0 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cn0 s VAL 28 N -3.03 4.92 0.27 2.41 1.01 -1.26 -4.78 120.40 119.94 3cn0 s VAL 28 Ca 0.15 1.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.42 3cn0 s VAL 28 Cb -0.07 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 3cn0 s VAL 28 CO 0.18 0.08 1.02 0.00 0.00 0.00 0.00 175.10 176.38 3cn0 s ALA 29 N 1.82 3.35 -0.05 5.51 0.00 -1.26 -1.24 121.76 129.89 3cn0 s ALA 29 Ca 0.38 0.74 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3cn0 s ALA 29 Cb -0.17 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3cn0 s ALA 29 CO 0.14 0.02 -0.05 0.08 0.00 0.00 0.00 175.76 175.96 3cn0 s VAL 30 N -1.21 0.57 -0.08 0.00 1.01 -0.03 -0.86 120.40 119.79 3cn0 s VAL 30 Ca 0.44 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.33 3cn0 s VAL 30 Cb -0.28 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 3cn0 s VAL 30 CO 0.35 0.24 -0.24 -1.00 0.00 0.00 0.00 175.10 174.45 3cn0 s HIS 31 N 0.97 2.46 -0.08 5.22 3.76 -0.32 -1.28 115.29 126.01 3cn0 s HIS 31 Ca -0.10 -0.89 0.02 0.00 -0.15 0.00 0.00 55.06 53.94 3cn0 s HIS 31 Cb -0.14 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.89 3cn0 s HIS 31 CO -0.00 -0.33 -0.12 0.08 -0.85 0.00 0.00 174.74 173.52 3cn0 s VAL 32 N 0.13 3.20 0.21 -0.90 1.01 0.18 -0.47 120.40 123.76 3cn0 s VAL 32 Ca -0.12 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.30 3cn0 s VAL 32 Cb -0.16 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3cn0 s VAL 32 CO 0.06 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.21 3cn0 s PHE 33 N -0.41 1.88 -0.03 5.22 0.40 0.31 -0.58 117.98 124.77 3cn0 s PHE 33 Ca 0.05 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 3cn0 s PHE 33 Cb -0.12 -0.87 0.01 0.00 0.51 0.00 0.00 43.02 42.55 3cn0 s PHE 33 CO 0.02 0.44 -0.07 0.50 0.70 0.00 0.00 175.22 176.80 3cn0 s ARG 34 N -3.40 0.90 0.01 0.44 3.52 -0.02 -0.81 118.95 119.58 3cn0 s ARG 34 Ca 0.23 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.28 3cn0 s ARG 34 Cb -0.03 -0.85 -0.06 0.00 -1.56 0.00 0.00 34.95 32.45 3cn0 s ARG 34 CO 0.09 0.05 1.40 0.15 -0.81 0.00 0.00 175.30 176.18 3cn0 s LYS 35 N 0.40 4.29 0.78 5.12 1.02 0.04 -1.03 119.74 130.36 3cn0 s LYS 35 Ca -0.06 1.97 -0.09 0.00 0.02 0.00 0.00 55.97 57.81 3cn0 s LYS 35 Cb -0.10 -3.55 0.10 0.00 -0.52 0.00 0.00 37.83 33.76 3cn0 s LYS 35 CO 0.01 -0.57 1.11 0.00 -0.92 0.00 0.00 175.35 174.98 3cn0 s ALA 36 N 2.32 2.94 0.43 5.17 0.00 0.47 -4.71 121.76 128.38 3cn0 s ALA 36 Ca 0.64 -1.04 0.12 0.00 0.00 0.00 0.00 51.96 51.68 3cn0 s ALA 36 Cb -0.32 -2.63 0.98 0.00 0.00 0.00 0.00 23.12 21.15 3cn0 s ALA 36 CO 0.27 -1.64 2.01 0.00 0.00 0.00 0.00 175.76 176.40 3cn0 h ALA 37 N -0.90 1.92 -0.26 0.00 0.00 -1.95 0.26 119.26 118.32 3cn0 h ALA 37 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3cn0 h ALA 37 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3cn0 h ALA 37 CO 0.54 -0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 3cn0 n ASP 38 N -4.47 1.67 -0.26 0.00 5.75 -1.26 -4.92 116.55 113.05 3cn0 n ASP 38 Ca 0.08 -2.05 -0.03 0.00 -0.01 0.00 0.00 54.79 52.77 3cn0 n ASP 38 Cb 0.27 -0.24 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 3cn0 n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cn0 n ASP 39 N 0.29 -4.24 -4.93 -1.12 9.92 0.08 -5.03 116.55 111.53 3cn0 n ASP 39 Ca 0.09 0.08 -0.26 0.00 -0.53 0.00 0.00 54.79 54.18 3cn0 n ASP 39 Cb 0.29 -2.04 -0.01 0.00 -0.64 0.00 0.00 41.12 38.72 3cn0 n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3cn0 s THR 40 N -1.85 5.04 -0.49 -3.53 -4.23 -1.26 -4.81 115.64 104.50 3cn0 s THR 40 Ca 0.00 -0.20 -0.24 0.00 -1.18 0.00 0.00 61.69 60.07 3cn0 s THR 40 Cb 0.00 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 70.03 3cn0 s THR 40 CO 0.00 -0.59 0.88 0.26 -0.54 0.00 0.00 174.62 174.63 3cn0 s TRP 41 N -2.39 2.90 -0.01 3.99 0.52 -1.26 -0.39 118.94 122.29 3cn0 s TRP 41 Ca 0.43 0.15 -0.16 0.00 0.02 0.00 0.00 56.10 56.53 3cn0 s TRP 41 Cb -0.10 -3.91 -0.06 0.00 -1.15 0.00 0.00 33.47 28.26 3cn0 s TRP 41 CO 0.37 -1.16 0.45 -1.21 0.02 0.00 0.00 176.95 175.42 3cn0 s GLU 42 N 3.66 4.06 0.28 4.98 2.02 -0.19 -4.86 118.70 128.64 3cn0 s GLU 42 Ca 0.32 0.47 -0.30 0.00 0.02 0.00 0.00 54.97 55.48 3cn0 s GLU 42 Cb -0.12 -3.27 -0.12 0.00 0.10 0.00 0.00 34.13 30.72 3cn0 s GLU 42 CO 0.22 0.57 1.62 -2.30 0.02 0.00 0.00 175.26 175.39 3cn0 n PRO 43 N 2.21 2.72 -0.03 0.39 -0.02 -1.26 -0.84 135.00 138.17 3cn0 n PRO 43 Ca -0.12 0.97 -0.06 0.00 -2.02 0.00 0.00 63.50 62.27 3cn0 n PRO 43 Cb 0.52 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 3cn0 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cn0 n PHE 44 N 2.41 0.00 -3.64 6.00 7.35 0.25 -4.81 117.46 125.02 3cn0 n PHE 44 Ca 0.10 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.74 3cn0 n PHE 44 Cb 0.36 -0.25 -0.01 0.00 0.35 0.00 0.00 39.48 39.93 3cn0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cn0 s ALA 45 N -2.13 -1.83 0.17 3.13 0.00 -0.99 -5.01 121.76 115.10 3cn0 s ALA 45 Ca -0.09 0.62 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 3cn0 s ALA 45 Cb 0.03 0.46 0.05 0.00 0.00 0.00 0.00 23.12 23.66 3cn0 s ALA 45 CO 0.13 -0.89 0.57 -1.54 0.00 0.00 0.00 175.76 174.02 3cn0 s SER 46 N -2.74 -0.43 -0.00 0.00 1.04 -1.26 0.48 113.70 110.78 3cn0 s SER 46 Ca 0.10 -0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 3cn0 s SER 46 Cb -0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3cn0 s SER 46 CO -0.03 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3cn0 n GLY 47 N -0.35 0.60 3.03 7.32 0.00 -0.40 -4.97 105.19 110.42 3cn0 n GLY 47 Ca -0.14 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 3cn0 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cn0 s LYS 48 N -2.00 0.45 0.47 1.61 -2.85 -1.26 -0.85 119.74 115.31 3cn0 s LYS 48 Ca 0.00 -0.80 -0.23 0.00 -1.00 0.00 0.00 55.97 53.95 3cn0 s LYS 48 Cb -0.00 -0.00 -0.07 0.00 -2.06 0.00 0.00 37.83 35.70 3cn0 s LYS 48 CO -0.00 -0.03 1.18 0.95 0.10 0.00 0.00 175.35 177.55 3cn0 s THR 49 N -1.98 3.01 0.36 3.79 -4.23 -0.37 -4.71 115.64 111.50 3cn0 s THR 49 Ca -0.09 0.75 -0.06 0.00 -1.18 0.00 0.00 61.69 61.12 3cn0 s THR 49 Cb -0.06 -3.38 0.08 0.00 1.34 0.00 0.00 72.50 70.48 3cn0 s THR 49 CO -0.02 -0.01 0.50 -1.54 -0.54 0.00 0.00 174.62 173.00 3cn0 n SER 50 N -0.57 0.10 0.18 3.99 3.41 -0.11 -1.28 113.62 119.34 3cn0 n SER 50 Ca 0.08 -1.22 0.13 0.00 -0.26 0.00 0.00 58.87 57.60 3cn0 n SER 50 Cb 0.48 -0.37 0.63 0.00 -0.26 0.00 0.00 64.21 64.68 3cn0 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cn0 h GLU 51 N 0.00 0.00 -0.01 4.33 4.39 -1.94 -0.23 114.58 121.12 3cn0 h GLU 51 Ca -0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3cn0 h GLU 51 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3cn0 h GLU 51 CO 0.12 0.00 -0.01 -1.13 -1.16 0.00 0.00 179.01 176.83 3cn0 n SER 52 N -2.41 1.37 -0.18 1.42 3.41 -1.26 -4.82 113.62 111.15 3cn0 n SER 52 Ca -0.00 -1.43 -0.02 0.00 -0.26 0.00 0.00 58.87 57.15 3cn0 n SER 52 Cb 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 3cn0 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cn0 n GLY 53 N 1.17 0.55 3.55 5.00 0.00 -0.10 -4.79 105.19 110.58 3cn0 n GLY 53 Ca 0.19 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3cn0 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cn0 s GLU 54 N -1.35 2.26 -0.21 1.61 2.02 -1.26 -0.83 118.70 120.94 3cn0 s GLU 54 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.08 3cn0 s GLU 54 Cb 0.00 -2.34 0.05 0.00 0.10 0.00 0.00 34.13 31.94 3cn0 s GLU 54 CO 0.00 0.55 -0.05 -1.17 0.02 0.00 0.00 175.26 174.61 3cn0 s LEU 55 N -1.73 2.18 0.32 1.80 2.96 0.30 -0.94 118.68 123.58 3cn0 s LEU 55 Ca 0.18 -0.99 0.08 0.00 -0.22 0.00 0.00 54.13 53.19 3cn0 s LEU 55 Cb -0.11 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 3cn0 s LEU 55 CO 0.09 -0.22 0.11 -1.00 -1.32 0.00 0.00 176.35 174.01 3cn0 s HIS 56 N 1.49 2.73 -0.26 5.38 3.76 -1.26 -2.08 115.29 125.05 3cn0 s HIS 56 Ca -0.03 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 3cn0 s HIS 56 Cb -0.17 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.00 3cn0 s HIS 56 CO -0.07 0.42 0.00 0.41 -0.85 0.00 0.00 174.74 174.65 3cn0 n GLY 57 N -1.08 0.58 0.29 -2.22 0.00 -1.26 -4.93 105.19 96.57 3cn0 n GLY 57 Ca -0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 3cn0 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cn0 h LEU 58 N 0.00 0.68 -8.27 0.99 3.38 -1.87 -3.47 115.31 106.76 3cn0 h LEU 58 Ca -0.05 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 3cn0 h LEU 58 Cb 0.18 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3cn0 h LEU 58 CO 0.07 0.69 0.03 0.28 0.09 0.00 0.00 178.44 179.61 3cn0 s THR 59 N -5.14 0.00 0.28 0.22 -1.32 -1.26 -4.79 115.64 103.63 3cn0 s THR 59 Ca -0.09 -1.31 0.11 0.00 -1.21 0.00 0.00 61.69 59.19 3cn0 s THR 59 Cb 0.15 -2.72 -0.05 0.00 -1.51 0.00 0.00 72.50 68.37 3cn0 s THR 59 CO 0.79 0.00 -0.18 0.42 -2.21 0.00 0.00 174.62 173.44 3cn0 s THR 60 N -2.76 2.35 0.20 5.08 -4.23 -1.26 -4.52 115.64 110.49 3cn0 s THR 60 Ca 0.23 -2.36 -0.11 0.00 -1.18 0.00 0.00 61.69 58.27 3cn0 s THR 60 Cb -0.03 -2.32 0.16 0.00 1.34 0.00 0.00 72.50 71.66 3cn0 s THR 60 CO 0.16 -0.40 1.69 -0.33 -0.54 0.00 0.00 174.62 175.20 3cn0 h GLU 61 N 2.27 0.18 -0.72 3.99 5.08 -2.00 -0.80 114.58 122.59 3cn0 h GLU 61 Ca -0.40 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 3cn0 h GLU 61 Cb 1.25 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3cn0 h GLU 61 CO 0.62 0.12 0.39 0.93 -1.00 0.00 0.00 179.01 180.06 3cn0 h GLU 62 N 0.18 1.00 0.00 2.33 5.08 -2.04 -2.98 114.58 118.15 3cn0 h GLU 62 Ca 0.30 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 3cn0 h GLU 62 Cb 0.45 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3cn0 h GLU 62 CO -0.43 0.75 -0.69 1.49 -1.00 0.00 0.00 179.01 179.13 3cn0 h GLU 63 N 0.99 0.00 -4.08 2.33 4.81 -1.89 -3.38 114.58 113.36 3cn0 h GLU 63 Ca 0.25 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.75 3cn0 h GLU 63 Cb 0.05 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.31 3cn0 h GLU 63 CO -0.04 0.56 2.22 0.34 -0.73 0.00 0.00 179.01 181.37 3cn0 n PHE 64 N -3.21 3.61 -2.03 0.92 7.35 -0.34 -4.95 117.46 118.81 3cn0 n PHE 64 Ca 0.00 -2.94 -0.28 0.00 -0.76 0.00 0.00 57.45 53.47 3cn0 n PHE 64 Cb 0.78 -2.22 0.12 0.00 0.35 0.00 0.00 39.48 38.52 3cn0 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3cn0 s VAL 65 N 1.70 2.07 0.41 -2.13 -7.23 -1.26 -4.95 120.40 109.02 3cn0 s VAL 65 Ca 0.43 -0.11 -0.25 0.00 -1.81 0.00 0.00 61.98 60.25 3cn0 s VAL 65 Cb 0.08 -2.96 -0.11 0.00 0.56 0.00 0.00 36.38 33.95 3cn0 s VAL 65 CO -0.01 0.00 1.03 1.21 -0.31 0.00 0.00 175.10 177.02 3cn0 n GLU 66 N -3.35 1.40 0.00 4.82 0.00 -1.26 -4.79 120.64 117.46 3cn0 n GLU 66 Ca 0.11 0.50 0.00 0.00 0.00 0.00 0.00 57.16 57.77 3cn0 n GLU 66 Cb 0.60 -2.06 0.00 0.00 0.00 0.00 0.00 31.44 29.98 3cn0 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3cn0 n GLY 67 N 1.16 -0.79 3.61 8.31 0.00 -1.09 -5.00 105.19 111.39 3cn0 n GLY 67 Ca 0.09 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 3cn0 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cn0 s ILE 68 N -2.00 5.25 0.09 -0.61 1.01 -1.26 -1.00 121.20 122.68 3cn0 s ILE 68 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.88 3cn0 s ILE 68 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 3cn0 s ILE 68 CO 0.00 0.29 -0.17 -0.31 0.00 0.00 0.00 174.94 174.75 3cn0 s TYR 69 N 1.49 2.56 -0.13 3.97 1.51 -0.19 -0.78 117.35 125.78 3cn0 s TYR 69 Ca 0.07 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 3cn0 s TYR 69 Cb -0.15 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 3cn0 s TYR 69 CO 0.08 0.35 -0.16 0.21 -1.11 0.00 0.00 175.55 174.93 3cn0 s LYS 70 N -1.93 2.34 -0.36 -0.62 2.20 0.00 -1.29 119.74 120.09 3cn0 s LYS 70 Ca 0.17 -0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 55.09 3cn0 s LYS 70 Cb -0.11 -2.04 0.02 0.00 -1.51 0.00 0.00 37.83 34.20 3cn0 s LYS 70 CO 0.09 -0.13 0.18 0.08 -0.36 0.00 0.00 175.35 175.21 3cn0 s VAL 71 N 1.17 4.40 -0.26 4.02 1.01 0.36 -0.53 120.40 130.57 3cn0 s VAL 71 Ca -0.02 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 3cn0 s VAL 71 Cb -0.14 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3cn0 s VAL 71 CO -0.05 -0.17 0.13 -0.70 0.00 0.00 0.00 175.10 174.30 3cn0 s GLU 72 N 1.53 3.82 -0.25 2.72 2.12 0.38 -0.89 118.70 128.12 3cn0 s GLU 72 Ca 0.02 -0.39 -0.08 0.00 0.36 0.00 0.00 54.97 54.88 3cn0 s GLU 72 Cb -0.19 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 3cn0 s GLU 72 CO 0.06 -0.17 0.08 0.42 -0.54 0.00 0.00 175.26 175.11 3cn0 s ILE 73 N 1.64 4.43 -1.34 -3.70 1.01 0.41 -1.18 121.20 122.47 3cn0 s ILE 73 Ca 0.07 -0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 3cn0 s ILE 73 Cb -0.15 -3.07 0.11 0.00 0.01 0.00 0.00 42.46 39.35 3cn0 s ILE 73 CO 0.07 0.33 1.95 0.47 0.00 0.00 0.00 174.94 177.76 3cn0 n ASP 74 N 4.89 4.61 -0.09 3.58 8.00 -0.04 -1.38 116.55 136.12 3cn0 n ASP 74 Ca -0.16 -2.97 -0.06 0.00 0.71 0.00 0.00 54.79 52.31 3cn0 n ASP 74 Cb 0.51 -1.59 0.12 0.00 -0.02 0.00 0.00 41.12 40.15 3cn0 n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cn0 h THR 75 N 4.17 1.26 -0.47 -3.53 1.35 -1.86 -2.62 112.91 111.20 3cn0 h THR 75 Ca 0.46 -1.21 -0.07 0.00 -0.55 0.00 0.00 66.41 65.04 3cn0 h THR 75 Cb 0.69 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 3cn0 h THR 75 CO 1.67 0.41 0.01 0.50 -0.25 0.00 0.00 175.52 177.86 3cn0 h LYS 76 N 0.68 0.83 -0.67 4.72 3.64 -1.69 -1.38 116.57 122.70 3cn0 h LYS 76 Ca 0.11 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3cn0 h LYS 76 Cb 0.62 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 3cn0 h LYS 76 CO 0.04 0.87 0.44 0.77 -2.27 0.00 0.00 179.45 179.30 3cn0 h SER 77 N 0.69 0.72 0.15 4.20 0.02 -1.80 0.80 113.55 118.33 3cn0 h SER 77 Ca 0.14 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3cn0 h SER 77 Cb 0.49 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3cn0 h SER 77 CO 0.02 0.50 -0.07 0.22 -1.14 0.00 0.00 176.83 176.37 3cn0 h TYR 78 N 0.84 -0.18 -0.61 3.45 3.20 -1.05 0.13 116.97 122.74 3cn0 h TYR 78 Ca 0.26 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3cn0 h TYR 78 Cb -0.00 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3cn0 h TYR 78 CO -0.00 0.17 0.03 -1.49 -1.64 0.00 0.00 178.16 175.23 3cn0 h TRP 79 N -0.57 1.13 -0.18 -3.82 4.06 -1.05 -2.76 115.95 112.77 3cn0 h TRP 79 Ca -0.02 -0.18 -0.12 0.00 2.06 0.00 0.00 58.89 60.63 3cn0 h TRP 79 Cb 0.44 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3cn0 h TRP 79 CO 0.04 0.98 -0.41 0.87 -3.56 0.00 0.00 178.44 176.36 3cn0 h LYS 80 N 0.96 0.40 0.00 0.49 1.57 -0.70 0.18 116.57 119.49 3cn0 h LYS 80 Ca 0.18 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3cn0 h LYS 80 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3cn0 h LYS 80 CO 0.02 0.75 -0.07 0.00 -0.57 0.00 0.00 179.45 179.58 3cn0 h ALA 81 N 1.23 1.29 -0.06 3.86 0.00 -0.46 -0.63 119.26 124.49 3cn0 h ALA 81 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3cn0 h ALA 81 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3cn0 h ALA 81 CO 0.07 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.69 3cn0 n LEU 82 N -3.60 1.98 0.00 0.00 4.77 -0.78 -4.95 117.00 114.42 3cn0 n LEU 82 Ca -0.02 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 3cn0 n LEU 82 Cb 0.19 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3cn0 n LEU 82 CO 0.28 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3cn0 n GLY 83 N 1.23 0.45 3.51 -0.72 0.00 -0.24 -5.05 105.19 104.37 3cn0 n GLY 83 Ca 0.17 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3cn0 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cn0 s ILE 84 N -2.00 3.31 -0.58 -0.61 1.01 -0.02 -4.97 121.20 117.34 3cn0 s ILE 84 Ca 0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 3cn0 s ILE 84 Cb 0.00 -2.32 0.09 0.00 0.01 0.00 0.00 42.46 40.24 3cn0 s ILE 84 CO 0.00 0.59 0.73 -0.55 0.00 0.00 0.00 174.94 175.71 3cn0 s SER 85 N -0.71 6.19 0.64 3.58 0.15 -1.26 -2.87 113.70 119.42 3cn0 s SER 85 Ca 0.11 -1.24 0.03 0.00 0.70 0.00 0.00 55.95 55.55 3cn0 s SER 85 Cb -0.11 -2.32 0.10 0.00 -1.71 0.00 0.00 66.02 61.98 3cn0 s SER 85 CO 0.01 -1.11 0.88 -2.16 1.20 0.00 0.00 173.24 172.06 3cn0 s PRO 86 N 2.89 2.04 -0.13 5.44 0.04 -1.26 -5.02 135.00 139.00 3cn0 s PRO 86 Ca 0.14 -1.24 -0.15 0.00 0.04 0.00 0.00 61.00 59.79 3cn0 s PRO 86 Cb -0.22 -2.47 -0.13 0.00 0.04 0.00 0.00 34.50 31.72 3cn0 s PRO 86 CO 0.08 -1.11 0.31 0.35 0.04 0.00 0.00 177.00 176.67 3cn0 h PHE 87 N -0.17 0.00 -3.96 0.56 3.57 -1.46 -3.48 116.94 112.01 3cn0 h PHE 87 Ca -0.35 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.66 3cn0 h PHE 87 Cb 1.28 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.03 3cn0 h PHE 87 CO 0.10 0.56 0.25 -1.01 -2.23 0.00 0.00 178.31 175.98 3cn0 s HIS 88 N -1.98 3.48 0.10 0.41 3.76 -1.26 -4.98 115.29 114.82 3cn0 s HIS 88 Ca -0.12 1.23 -0.09 0.00 -0.15 0.00 0.00 55.06 55.93 3cn0 s HIS 88 Cb -0.00 -2.61 -0.17 0.00 1.11 0.00 0.00 32.58 30.91 3cn0 s HIS 88 CO 0.36 -0.27 1.24 0.93 -0.85 0.00 0.00 174.74 176.15 3cn0 h GLU 89 N 0.94 0.55 -2.28 1.40 4.39 -1.98 -3.36 114.58 114.25 3cn0 h GLU 89 Ca -0.47 -0.61 0.19 0.00 0.34 0.00 0.00 59.36 58.82 3cn0 h GLU 89 Cb 1.19 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 29.94 3cn0 h GLU 89 CO 0.63 1.22 0.56 -3.38 -1.16 0.00 0.00 179.01 176.88 3cn0 s HIS 90 N -3.26 -0.06 -0.13 4.33 -3.43 -1.26 -3.01 115.29 108.48 3cn0 s HIS 90 Ca -0.08 -0.25 0.00 0.00 -0.80 0.00 0.00 55.06 53.94 3cn0 s HIS 90 Cb 0.08 0.65 -0.01 0.00 -1.43 0.00 0.00 32.58 31.86 3cn0 s HIS 90 CO 0.90 -0.78 -0.13 0.00 -2.00 0.00 0.00 174.74 172.72 3cn0 s ALA 91 N -2.85 2.61 -0.07 -1.38 0.00 -0.48 -4.88 121.76 114.71 3cn0 s ALA 91 Ca 0.15 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.26 3cn0 s ALA 91 Cb -0.01 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 3cn0 s ALA 91 CO 0.02 0.26 -0.20 -1.21 0.00 0.00 0.00 175.76 174.64 3cn0 s GLU 92 N 0.31 2.70 -0.16 0.00 2.02 -1.26 -0.44 118.70 121.87 3cn0 s GLU 92 Ca -0.10 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.08 3cn0 s GLU 92 Cb -0.16 -2.31 0.03 0.00 0.10 0.00 0.00 34.13 31.79 3cn0 s GLU 92 CO 0.06 0.41 -0.14 0.08 0.02 0.00 0.00 175.26 175.69 3cn0 s VAL 93 N -0.20 1.62 -0.11 2.63 1.01 -0.07 -4.98 120.40 120.28 3cn0 s VAL 93 Ca -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3cn0 s VAL 93 Cb -0.13 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3cn0 s VAL 93 CO 0.03 0.40 -0.21 -0.69 0.00 0.00 0.00 175.10 174.63 3cn0 s VAL 94 N 1.45 1.91 -0.02 2.92 1.01 -1.26 -0.49 120.40 125.92 3cn0 s VAL 94 Ca 0.04 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 3cn0 s VAL 94 Cb -0.14 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.62 3cn0 s VAL 94 CO -0.10 0.52 0.50 0.72 0.00 0.00 0.00 175.10 176.74 3cn0 s PHE 95 N 0.61 -0.43 0.13 5.22 -0.71 -0.41 -5.00 117.98 117.39 3cn0 s PHE 95 Ca -0.13 0.68 -0.29 0.00 -1.04 0.00 0.00 56.93 56.15 3cn0 s PHE 95 Cb -0.17 0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 41.85 3cn0 s PHE 95 CO 0.04 -0.52 0.93 0.99 -1.34 0.00 0.00 175.22 175.31 3cn0 s THR 96 N -1.41 4.46 0.04 -4.49 2.01 -1.26 -1.03 115.64 113.96 3cn0 s THR 96 Ca -0.11 2.01 0.08 0.00 0.31 0.00 0.00 61.69 63.98 3cn0 s THR 96 Cb -0.02 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 3cn0 s THR 96 CO 0.06 0.36 -0.23 0.00 -0.69 0.00 0.00 174.62 174.12 3cn0 s ALA 97 N -0.23 1.99 -1.45 7.40 0.00 -0.17 -4.83 121.76 124.47 3cn0 s ALA 97 Ca 0.45 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3cn0 s ALA 97 Cb -0.23 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.48 3cn0 s ALA 97 CO 0.29 0.46 0.00 0.09 0.00 0.00 0.00 175.76 176.60 3cn0 n ASN 98 N 1.84 -4.69 -0.00 0.00 3.02 -1.26 -2.66 115.26 111.50 3cn0 n ASN 98 Ca -0.17 0.20 0.14 0.00 -0.03 0.00 0.00 54.58 54.72 3cn0 n ASN 98 Cb 0.53 -3.65 0.53 0.00 -0.61 0.00 0.00 39.78 36.58 3cn0 n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3cn0 n ASP 99 N -0.62 0.14 -1.14 6.41 5.75 -1.26 -2.32 116.55 123.52 3cn0 n ASP 99 Ca -0.16 0.24 -0.05 0.00 -0.01 0.00 0.00 54.79 54.81 3cn0 n ASP 99 Cb 0.56 -0.29 0.15 0.00 -1.03 0.00 0.00 41.12 40.51 3cn0 n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3cn0 n SER 100 N -1.47 2.89 0.00 -1.12 7.64 -1.26 -5.08 113.62 115.22 3cn0 n SER 100 Ca 0.07 -3.84 0.00 0.00 1.01 0.00 0.00 58.87 56.11 3cn0 n SER 100 Cb 0.33 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 3cn0 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cn0 n GLY 101 N -1.00 1.18 3.72 0.23 0.00 -0.98 -4.99 105.19 103.35 3cn0 n GLY 101 Ca 0.30 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 3cn0 n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cn0 n PRO 102 N 1.77 2.60 -4.36 1.61 -0.02 -1.26 -4.29 135.00 131.06 3cn0 n PRO 102 Ca 0.00 0.93 -0.18 0.00 -2.02 0.00 0.00 63.50 62.23 3cn0 n PRO 102 Cb 0.00 -2.72 -0.10 0.00 -0.02 0.00 0.00 33.50 30.66 3cn0 n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3cn0 s ARG 103 N 0.15 1.41 -0.14 -0.52 1.81 -1.26 -4.61 118.95 115.79 3cn0 s ARG 103 Ca 0.69 -1.73 -0.03 0.00 -1.72 0.00 0.00 55.73 52.94 3cn0 s ARG 103 Cb -0.53 -0.67 -0.03 0.00 -0.45 0.00 0.00 34.95 33.26 3cn0 s ARG 103 CO 0.43 -0.12 -0.02 1.03 -0.68 0.00 0.00 175.30 175.94 3cn0 s ARG 104 N -3.87 3.53 -0.11 3.54 0.52 -0.09 -4.85 118.95 117.62 3cn0 s ARG 104 Ca 0.31 -0.49 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 3cn0 s ARG 104 Cb 0.06 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.63 3cn0 s ARG 104 CO 0.10 0.35 -0.23 0.71 0.02 0.00 0.00 175.30 176.26 3cn0 s TYR 105 N 0.08 2.60 -0.19 -0.53 1.51 0.06 -0.96 117.35 119.93 3cn0 s TYR 105 Ca 0.00 -1.09 -0.02 0.00 -1.01 0.00 0.00 57.07 54.95 3cn0 s TYR 105 Cb -0.13 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 3cn0 s TYR 105 CO 0.02 -0.45 -0.09 0.99 -1.11 0.00 0.00 175.55 174.92 3cn0 s THR 106 N 0.45 3.14 -0.27 -0.71 2.01 -0.03 -1.19 115.64 119.04 3cn0 s THR 106 Ca -0.16 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 3cn0 s THR 106 Cb -0.17 -2.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 3cn0 s THR 106 CO 0.06 0.47 0.09 -0.63 -0.69 0.00 0.00 174.62 173.92 3cn0 s ILE 107 N 1.11 4.31 -0.00 1.82 -1.09 -0.01 -0.99 121.20 126.34 3cn0 s ILE 107 Ca 0.01 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 3cn0 s ILE 107 Cb -0.15 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 3cn0 s ILE 107 CO -0.02 0.23 -0.10 0.00 -1.23 0.00 0.00 174.94 173.82 3cn0 s ALA 108 N 1.59 2.87 -0.00 9.38 0.00 -0.36 -0.78 121.76 134.47 3cn0 s ALA 108 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3cn0 s ALA 108 Cb -0.16 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.93 3cn0 s ALA 108 CO 0.04 0.59 -0.01 0.00 0.00 0.00 0.00 175.76 176.38 3cn0 s ALA 109 N -0.92 0.11 -0.19 0.00 0.00 -0.02 -1.17 121.76 119.56 3cn0 s ALA 109 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3cn0 s ALA 109 Cb -0.11 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3cn0 s ALA 109 CO 0.05 0.02 -0.17 -1.17 0.00 0.00 0.00 175.76 174.49 3cn0 s LEU 110 N 0.01 2.28 -0.11 0.00 2.96 0.19 -0.89 118.68 123.12 3cn0 s LEU 110 Ca 0.00 -0.61 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 3cn0 s LEU 110 Cb -0.01 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3cn0 s LEU 110 CO -0.00 -0.01 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.21 3cn0 s LEU 111 N 1.32 3.22 0.23 -0.68 1.43 -0.21 -1.54 118.68 122.45 3cn0 s LEU 111 Ca 0.05 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3cn0 s LEU 111 Cb -0.13 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3cn0 s LEU 111 CO -0.11 0.27 -0.06 -0.44 0.23 0.00 0.00 176.35 176.25 3cn0 s SER 112 N -0.28 2.24 0.37 2.29 0.01 -0.01 -0.84 113.70 117.49 3cn0 s SER 112 Ca 0.04 -1.15 0.07 0.00 1.31 0.00 0.00 55.95 56.23 3cn0 s SER 112 Cb -0.13 -0.07 0.79 0.00 0.21 0.00 0.00 66.02 66.82 3cn0 s SER 112 CO 0.02 -0.38 1.96 -0.65 0.41 0.00 0.00 173.24 174.60 3cn0 h PRO 113 N 2.47 0.67 -0.09 12.44 0.11 -1.99 -2.97 132.00 142.64 3cn0 h PRO 113 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3cn0 h PRO 113 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3cn0 h PRO 113 CO 0.65 0.44 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 3cn0 n TYR 114 N -4.48 0.31 -3.53 0.65 4.02 -1.26 -1.07 117.16 111.79 3cn0 n TYR 114 Ca 0.11 -0.90 -0.17 0.00 -0.01 0.00 0.00 57.90 56.93 3cn0 n TYR 114 Cb 0.26 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 3cn0 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3cn0 s SER 115 N -2.37 -0.61 0.05 7.72 0.15 -1.12 -4.97 113.70 112.55 3cn0 s SER 115 Ca 0.32 0.68 -0.09 0.00 0.70 0.00 0.00 55.95 57.56 3cn0 s SER 115 Cb 0.27 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 3cn0 s SER 115 CO 0.05 -0.56 0.19 -0.72 1.20 0.00 0.00 173.24 173.40 3cn0 s TYR 116 N -1.15 0.07 0.01 3.44 -0.85 -1.26 -0.83 117.35 116.78 3cn0 s TYR 116 Ca -0.09 -0.32 0.08 0.00 -0.52 0.00 0.00 57.07 56.22 3cn0 s TYR 116 Cb -0.00 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.28 3cn0 s TYR 116 CO 0.08 -0.44 -0.25 0.45 -1.52 0.00 0.00 175.55 173.87 3cn0 s SER 117 N -2.20 3.19 0.03 -0.18 0.15 -0.59 -4.98 113.70 109.12 3cn0 s SER 117 Ca -0.04 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.13 3cn0 s SER 117 Cb -0.00 -0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 63.93 3cn0 s SER 117 CO -0.05 0.29 -0.07 0.28 1.20 0.00 0.00 173.24 174.89 3cn0 s THR 118 N -0.72 0.51 0.07 6.45 -1.32 -1.26 -0.64 115.64 118.73 3cn0 s THR 118 Ca 0.11 -0.91 -0.04 0.00 -1.21 0.00 0.00 61.69 59.64 3cn0 s THR 118 Cb -0.10 -0.55 -0.02 0.00 -1.51 0.00 0.00 72.50 70.32 3cn0 s THR 118 CO 0.01 -0.29 0.06 0.28 -2.21 0.00 0.00 174.62 172.47 3cn0 s THR 119 N -1.14 0.19 -0.02 5.08 -1.32 -0.32 -5.00 115.64 113.11 3cn0 s THR 119 Ca -0.08 -1.53 0.08 0.00 -1.21 0.00 0.00 61.69 58.95 3cn0 s THR 119 Cb -0.08 -1.43 -0.02 0.00 -1.51 0.00 0.00 72.50 69.46 3cn0 s THR 119 CO 0.00 -0.85 -0.25 0.00 -2.21 0.00 0.00 174.62 171.32 3cn0 s ALA 120 N -3.86 2.07 -0.21 11.08 0.00 -1.26 -1.22 121.76 128.35 3cn0 s ALA 120 Ca 0.06 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 3cn0 s ALA 120 Cb 0.06 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3cn0 s ALA 120 CO -0.10 0.51 -0.11 0.08 0.00 0.00 0.00 175.76 176.14 3cn0 s VAL 121 N -0.59 2.80 -0.18 0.00 1.01 -0.16 -4.99 120.40 118.29 3cn0 s VAL 121 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3cn0 s VAL 121 Cb -0.10 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3cn0 s VAL 121 CO -0.01 0.44 -0.17 -0.69 0.00 0.00 0.00 175.10 174.67 3cn0 s VAL 122 N 1.39 2.38 0.15 2.92 1.01 -1.26 -0.85 120.40 126.14 3cn0 s VAL 122 Ca 0.05 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.27 3cn0 s VAL 122 Cb -0.14 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3cn0 s VAL 122 CO -0.07 0.52 -0.19 0.42 0.00 0.00 0.00 175.10 175.78 3cn0 s THR 123 N 1.16 1.78 -0.29 3.92 -4.23 -0.13 -4.97 115.64 112.87 3cn0 s THR 123 Ca 0.01 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 58.64 3cn0 s THR 123 Cb -0.14 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 71.94 3cn0 s THR 123 CO -0.07 -0.26 0.06 0.21 -0.54 0.00 0.00 174.62 174.01 3cn0 s ASN 124 N -2.49 5.00 0.00 3.99 3.84 -1.26 -0.91 114.94 123.12 3cn0 s ASN 124 Ca 0.13 -0.77 0.21 0.00 0.21 0.00 0.00 52.86 52.65 3cn0 s ASN 124 Cb -0.07 -1.84 1.28 0.00 -0.55 0.00 0.00 41.25 40.07 3cn0 s ASN 124 CO 0.06 -0.19 1.65 -0.81 -2.79 0.00 0.00 177.10 175.02