#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e4h n PRO 11 N 0.00 0.43 -3.83 0.00 -0.04 -1.26 -4.75 135.00 125.54 1e4h n PRO 11 Ca 0.00 -0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.14 1e4h n PRO 11 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 1e4h n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1e4h s LEU 12 N -2.62 0.94 0.02 1.53 2.96 -1.26 -0.20 118.68 120.05 1e4h s LEU 12 Ca 0.26 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1e4h s LEU 12 Cb 0.20 -0.64 -0.02 0.00 0.50 0.00 0.00 46.19 46.23 1e4h s LEU 12 CO 0.49 -0.18 -0.13 -0.04 -1.32 0.00 0.00 176.35 175.17 1e4h s MET 13 N 1.84 0.91 -0.07 1.98 -1.94 0.02 -4.40 119.30 117.63 1e4h s MET 13 Ca 0.04 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.44 1e4h s MET 13 Cb -0.13 -0.89 0.00 0.00 2.01 0.00 0.00 34.83 35.82 1e4h s MET 13 CO -0.07 0.23 -0.19 0.08 -0.01 0.00 0.00 175.02 175.06 1e4h s VAL 14 N -0.65 1.61 -0.08 -6.03 1.01 -0.81 -0.51 120.40 114.93 1e4h s VAL 14 Ca 0.02 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1e4h s VAL 14 Cb -0.07 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.92 1e4h s VAL 14 CO 0.01 0.46 -0.16 -0.75 0.00 0.00 0.00 175.10 174.66 1e4h s LYS 15 N 0.31 2.11 -0.09 2.72 2.20 -0.33 -0.44 119.74 126.22 1e4h s LYS 15 Ca -0.12 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 54.97 1e4h s LYS 15 Cb -0.15 -1.70 0.01 0.00 -1.51 0.00 0.00 37.83 34.47 1e4h s LYS 15 CO 0.05 0.05 -0.19 0.08 -0.36 0.00 0.00 175.35 174.97 1e4h s VAL 16 N 0.65 1.69 0.06 4.02 1.01 0.33 -0.69 120.40 127.47 1e4h s VAL 16 Ca -0.14 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1e4h s VAL 16 Cb -0.16 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1e4h s VAL 16 CO 0.04 0.48 -0.24 -0.76 0.00 0.00 0.00 175.10 174.61 1e4h s LEU 17 N 0.47 2.19 -0.37 3.92 2.01 0.16 -0.57 118.68 126.50 1e4h s LEU 17 Ca -0.17 -0.60 -0.15 0.00 0.01 0.00 0.00 54.13 53.22 1e4h s LEU 17 Cb -0.17 -1.16 -0.00 0.00 0.01 0.00 0.00 46.19 44.87 1e4h s LEU 17 CO 0.07 0.21 0.34 -0.62 1.01 0.00 0.00 176.35 177.36 1e4h s ASP 18 N -1.37 6.15 0.00 2.29 -1.08 0.53 -0.55 116.67 122.64 1e4h s ASP 18 Ca 0.10 -0.47 0.29 0.00 -0.52 0.00 0.00 52.55 51.95 1e4h s ASP 18 Cb -0.10 -2.18 1.44 0.00 -1.46 0.00 0.00 42.92 40.62 1e4h s ASP 18 CO 0.03 -0.38 1.99 0.00 0.52 0.00 0.00 175.17 177.32 1e4h n ALA 19 N 5.34 2.42 -0.06 3.66 0.00 0.15 -1.08 120.51 130.94 1e4h n ALA 19 Ca -0.10 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1e4h n ALA 19 Cb 0.49 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 1e4h n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1e4h h VAL 20 N 0.00 0.89 0.00 0.00 2.07 -1.94 -3.40 116.25 113.88 1e4h h VAL 20 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1e4h h VAL 20 Cb 0.28 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1e4h h VAL 20 CO 0.00 0.54 -1.16 0.54 0.02 0.00 0.00 177.57 177.51 1e4h n ARG 21 N -4.11 0.51 -2.58 1.57 1.74 -1.24 -4.99 116.66 107.57 1e4h n ARG 21 Ca -0.30 0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.72 1e4h n ARG 21 Cb 0.81 -1.70 0.04 0.00 -1.02 0.00 0.00 32.46 30.59 1e4h n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1e4h n GLY 22 N 1.26 -0.22 3.75 -0.13 0.00 -0.24 -5.04 105.19 104.57 1e4h n GLY 22 Ca -0.00 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1e4h n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e4h s SER 23 N -3.35 -0.26 0.63 1.61 1.04 -1.08 -5.01 113.70 107.27 1e4h s SER 23 Ca 0.20 -0.61 -0.17 0.00 0.48 0.00 0.00 55.95 55.85 1e4h s SER 23 Cb -0.03 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 1e4h s SER 23 CO 0.42 -1.26 1.18 -2.16 0.98 0.00 0.00 173.24 172.40 1e4h s PRO 24 N -3.92 2.82 -0.51 4.02 0.04 -1.26 -0.35 135.00 135.85 1e4h s PRO 24 Ca 0.12 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 1e4h s PRO 24 Cb -0.04 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.66 1e4h s PRO 24 CO 0.05 -1.29 0.48 0.00 0.04 0.00 0.00 177.00 176.28 1e4h s ALA 25 N -1.82 3.55 0.26 8.56 0.00 0.27 -4.55 121.76 128.02 1e4h s ALA 25 Ca 0.74 -2.19 -0.18 0.00 0.00 0.00 0.00 51.96 50.34 1e4h s ALA 25 Cb -0.28 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1e4h s ALA 25 CO 0.36 -1.90 0.72 0.42 0.00 0.00 0.00 175.76 175.36 1e4h s ILE 26 N 1.86 4.62 -1.56 0.00 1.01 -1.26 -4.32 121.20 121.55 1e4h s ILE 26 Ca 0.06 1.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.83 1e4h s ILE 26 Cb -0.25 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1e4h s ILE 26 CO 0.06 0.07 0.29 -3.20 0.00 0.00 0.00 174.94 172.16 1e4h n ASN 27 N 0.33 -5.72 -4.69 3.58 4.05 -0.53 -4.94 115.26 107.34 1e4h n ASN 27 Ca -0.00 -0.14 -0.40 0.00 0.45 0.00 0.00 54.58 54.48 1e4h n ASN 27 Cb 0.52 -4.65 -0.05 0.00 1.23 0.00 0.00 39.78 36.83 1e4h n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1e4h s VAL 28 N -3.06 5.01 0.22 3.44 1.01 -1.26 -4.73 120.40 121.03 1e4h s VAL 28 Ca 0.14 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 1e4h s VAL 28 Cb -0.06 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1e4h s VAL 28 CO 0.18 0.16 1.11 0.00 0.00 0.00 0.00 175.10 176.55 1e4h s ALA 29 N 1.43 3.39 -0.05 5.51 0.00 -1.26 -1.57 121.76 129.22 1e4h s ALA 29 Ca 0.34 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.18 1e4h s ALA 29 Cb -0.17 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1e4h s ALA 29 CO 0.14 -0.20 -0.07 0.08 0.00 0.00 0.00 175.76 175.71 1e4h s VAL 30 N -0.61 0.75 -0.05 0.00 1.01 -0.20 -0.86 120.40 120.45 1e4h s VAL 30 Ca 0.48 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.25 1e4h s VAL 30 Cb -0.31 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1e4h s VAL 30 CO 0.38 0.27 -0.21 -1.00 0.00 0.00 0.00 175.10 174.53 1e4h s HIS 31 N 0.79 2.12 -0.06 5.22 3.76 -0.12 -1.58 115.29 125.42 1e4h s HIS 31 Ca -0.13 -0.64 0.05 0.00 -0.15 0.00 0.00 55.06 54.20 1e4h s HIS 31 Cb -0.15 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.12 1e4h s HIS 31 CO 0.02 -0.21 -0.21 0.08 -0.85 0.00 0.00 174.74 173.57 1e4h s VAL 32 N -0.04 2.41 0.15 -0.90 1.01 0.13 -0.07 120.40 123.09 1e4h s VAL 32 Ca -0.05 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1e4h s VAL 32 Cb -0.13 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1e4h s VAL 32 CO 0.03 0.57 -0.12 -0.36 0.00 0.00 0.00 175.10 175.23 1e4h s PHE 33 N -0.34 1.37 -0.04 5.22 0.40 0.34 -0.34 117.98 124.60 1e4h s PHE 33 Ca 0.02 -0.67 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1e4h s PHE 33 Cb -0.12 -0.69 0.00 0.00 0.51 0.00 0.00 43.02 42.72 1e4h s PHE 33 CO 0.02 0.15 -0.12 0.50 0.70 0.00 0.00 175.22 176.47 1e4h s ARG 34 N -3.45 1.31 0.04 0.44 3.52 0.04 -0.72 118.95 120.12 1e4h s ARG 34 Ca 0.16 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 55.03 1e4h s ARG 34 Cb 0.00 -1.17 -0.06 0.00 -1.56 0.00 0.00 34.95 32.16 1e4h s ARG 34 CO 0.02 0.15 1.38 0.21 -0.81 0.00 0.00 175.30 176.25 1e4h s LYS 35 N 0.19 4.31 0.64 5.12 2.20 0.02 -0.95 119.74 131.26 1e4h s LYS 35 Ca -0.04 1.98 -0.06 0.00 -0.36 0.00 0.00 55.97 57.49 1e4h s LYS 35 Cb -0.10 -3.47 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1e4h s LYS 35 CO 0.01 -0.51 0.94 0.00 -0.36 0.00 0.00 175.35 175.44 1e4h s ALA 36 N 1.93 3.28 0.53 3.13 0.00 0.16 -4.69 121.76 126.11 1e4h s ALA 36 Ca 0.64 -0.85 0.23 0.00 0.00 0.00 0.00 51.96 51.97 1e4h s ALA 36 Cb -0.33 -2.56 1.37 0.00 0.00 0.00 0.00 23.12 21.60 1e4h s ALA 36 CO 0.28 -1.02 2.04 0.00 0.00 0.00 0.00 175.76 177.06 1e4h h ALA 37 N -0.35 2.34 -0.17 0.00 0.00 -1.95 0.28 119.26 119.41 1e4h h ALA 37 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1e4h h ALA 37 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1e4h h ALA 37 CO 0.60 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.00 1e4h n ASP 38 N -4.41 1.05 -1.09 0.00 5.75 -1.26 -4.90 116.55 111.68 1e4h n ASP 38 Ca 0.06 -2.02 -0.13 0.00 -0.01 0.00 0.00 54.79 52.69 1e4h n ASP 38 Cb 0.45 -0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 40.34 1e4h n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1e4h n ASP 39 N 0.02 -4.39 -4.70 -1.12 9.92 0.98 -5.03 116.55 112.24 1e4h n ASP 39 Ca 0.06 0.23 -0.24 0.00 -0.53 0.00 0.00 54.79 54.31 1e4h n ASP 39 Cb 0.18 -3.15 -0.07 0.00 -0.64 0.00 0.00 41.12 37.44 1e4h n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1e4h s THR 40 N -2.51 3.82 -0.40 -3.53 -4.23 -1.26 -4.83 115.64 102.71 1e4h s THR 40 Ca 0.00 -1.60 -0.26 0.00 -1.18 0.00 0.00 61.69 58.65 1e4h s THR 40 Cb 0.00 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 70.85 1e4h s THR 40 CO 0.00 -0.28 0.92 0.26 -0.54 0.00 0.00 174.62 174.99 1e4h s TRP 41 N -2.07 3.03 -0.14 3.99 0.52 -1.26 -0.66 118.94 122.34 1e4h s TRP 41 Ca 0.31 0.66 -0.08 0.00 0.02 0.00 0.00 56.10 57.01 1e4h s TRP 41 Cb -0.08 -3.74 -0.04 0.00 -1.15 0.00 0.00 33.47 28.45 1e4h s TRP 41 CO 0.21 -0.91 0.13 -1.21 0.02 0.00 0.00 176.95 175.19 1e4h s GLU 42 N 3.56 3.65 0.20 4.98 2.02 -0.13 -4.87 118.70 128.11 1e4h s GLU 42 Ca 0.38 -0.18 -0.32 0.00 0.02 0.00 0.00 54.97 54.86 1e4h s GLU 42 Cb -0.11 -3.23 -0.14 0.00 0.10 0.00 0.00 34.13 30.74 1e4h s GLU 42 CO 0.21 0.62 1.45 -2.30 0.02 0.00 0.00 175.26 175.26 1e4h n PRO 43 N 2.49 2.00 -0.01 0.39 -0.02 -1.26 -0.78 135.00 137.81 1e4h n PRO 43 Ca -0.19 0.72 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 1e4h n PRO 43 Cb 0.54 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1e4h n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1e4h n PHE 44 N 2.43 0.00 -3.58 6.00 7.35 0.54 -4.78 117.46 125.42 1e4h n PHE 44 Ca 0.14 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.78 1e4h n PHE 44 Cb 0.30 -0.07 -0.02 0.00 0.35 0.00 0.00 39.48 40.04 1e4h n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1e4h s ALA 45 N -2.04 -1.96 0.26 3.13 0.00 -0.96 -5.00 121.76 115.19 1e4h s ALA 45 Ca -0.03 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 52.86 1e4h s ALA 45 Cb 0.01 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1e4h s ALA 45 CO 0.04 -0.73 0.66 -1.54 0.00 0.00 0.00 175.76 174.19 1e4h s SER 46 N -2.47 -0.27 0.00 0.00 1.04 -1.26 0.22 113.70 110.96 1e4h s SER 46 Ca 0.09 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1e4h s SER 46 Cb -0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1e4h s SER 46 CO -0.05 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.51 1e4h n GLY 47 N -0.43 -1.31 3.15 7.32 0.00 -0.62 -4.94 105.19 108.36 1e4h n GLY 47 Ca -0.05 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 1e4h n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e4h s LYS 48 N -0.73 0.86 0.48 1.61 1.02 -1.26 -1.03 119.74 120.70 1e4h s LYS 48 Ca 0.00 -0.83 -0.22 0.00 0.02 0.00 0.00 55.97 54.94 1e4h s LYS 48 Cb 0.00 -0.87 -0.07 0.00 -0.52 0.00 0.00 37.83 36.37 1e4h s LYS 48 CO 0.00 0.20 1.16 0.95 -0.92 0.00 0.00 175.35 176.74 1e4h s THR 49 N -1.03 3.12 0.26 2.17 -4.23 -0.61 -4.72 115.64 110.60 1e4h s THR 49 Ca -0.00 0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 61.28 1e4h s THR 49 Cb -0.09 -3.39 0.06 0.00 1.34 0.00 0.00 72.50 70.42 1e4h s THR 49 CO 0.02 -0.04 0.35 -1.54 -0.54 0.00 0.00 174.62 172.86 1e4h n SER 50 N -0.68 0.14 0.31 3.99 3.41 0.24 -1.46 113.62 119.57 1e4h n SER 50 Ca 0.08 -1.19 0.19 0.00 -0.26 0.00 0.00 58.87 57.69 1e4h n SER 50 Cb 0.49 -0.26 1.00 0.00 -0.26 0.00 0.00 64.21 65.17 1e4h n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1e4h h GLU 51 N 0.00 0.00 -0.15 4.33 4.39 -1.94 0.19 114.58 121.40 1e4h h GLU 51 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1e4h h GLU 51 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1e4h h GLU 51 CO 0.09 0.02 0.00 -1.13 -1.16 0.00 0.00 179.01 176.83 1e4h n SER 52 N -3.29 1.91 -0.03 1.42 3.41 -1.26 -4.78 113.62 111.00 1e4h n SER 52 Ca -0.02 -1.71 -0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1e4h n SER 52 Cb 0.15 -0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1e4h n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1e4h n GLY 53 N 1.19 0.45 3.73 5.00 0.00 0.06 -4.78 105.19 110.84 1e4h n GLY 53 Ca 0.17 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1e4h n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1e4h s GLU 54 N -0.53 2.67 -0.20 1.61 2.02 -1.26 -0.51 118.70 122.50 1e4h s GLU 54 Ca 0.00 -0.86 -0.02 0.00 0.02 0.00 0.00 54.97 54.10 1e4h s GLU 54 Cb 0.00 -2.57 0.06 0.00 0.10 0.00 0.00 34.13 31.72 1e4h s GLU 54 CO 0.00 0.52 0.02 -1.17 0.02 0.00 0.00 175.26 174.65 1e4h s LEU 55 N -2.62 1.46 0.44 1.80 2.96 0.42 -0.59 118.68 122.54 1e4h s LEU 55 Ca 0.28 -0.90 0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1e4h s LEU 55 Cb -0.11 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 1e4h s LEU 55 CO 0.20 -0.29 0.20 -1.00 -1.32 0.00 0.00 176.35 174.14 1e4h s HIS 56 N 1.77 2.40 -1.11 5.38 3.76 -1.26 -1.93 115.29 124.30 1e4h s HIS 56 Ca -0.02 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1e4h s HIS 56 Cb -0.17 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1e4h s HIS 56 CO -0.08 0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 1e4h n GLY 57 N -1.33 1.17 0.25 -2.22 0.00 -1.26 -4.92 105.19 96.89 1e4h n GLY 57 Ca -0.03 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 1e4h n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1e4h h LEU 58 N 0.00 0.59 0.00 0.99 3.38 -1.87 -3.47 115.31 114.92 1e4h h LEU 58 Ca -0.21 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1e4h h LEU 58 Cb 0.74 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1e4h h LEU 58 CO 0.31 0.78 0.03 1.07 0.09 0.00 0.00 178.44 180.72 1e4h n THR 59 N -4.15 0.00 -4.44 0.22 5.66 -1.26 -4.79 114.28 105.51 1e4h n THR 59 Ca 0.00 -0.76 -0.22 0.00 -3.05 0.00 0.00 64.05 60.03 1e4h n THR 59 Cb 0.37 0.57 -0.10 0.00 -1.55 0.00 0.00 70.33 69.62 1e4h n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1e4h s THR 60 N -2.58 1.50 0.36 1.09 -4.23 -1.26 -4.41 115.64 106.10 1e4h s THR 60 Ca 0.12 -2.07 0.06 0.00 -1.18 0.00 0.00 61.69 58.62 1e4h s THR 60 Cb -0.02 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.41 1e4h s THR 60 CO 0.09 -0.19 1.91 -0.08 -0.54 0.00 0.00 174.62 175.81 1e4h h GLU 61 N 2.20 0.46 -0.24 3.99 4.81 -1.97 -0.69 114.58 123.14 1e4h h GLU 61 Ca -0.40 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 1e4h h GLU 61 Cb 1.24 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1e4h h GLU 61 CO 0.69 0.48 -0.21 0.93 -0.73 0.00 0.00 179.01 180.17 1e4h h GLU 62 N 0.45 0.57 0.01 1.92 5.08 -2.03 -3.29 114.58 117.29 1e4h h GLU 62 Ca 0.10 -0.29 -0.21 0.00 -1.00 0.00 0.00 59.36 57.96 1e4h h GLU 62 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1e4h h GLU 62 CO 0.01 0.87 -0.92 1.49 -1.00 0.00 0.00 179.01 179.46 1e4h h GLU 63 N 0.28 0.26 -4.45 2.33 4.81 -1.91 -3.39 114.58 112.51 1e4h h GLU 63 Ca 0.04 -0.29 -0.68 0.00 -0.13 0.00 0.00 59.36 58.30 1e4h h GLU 63 Cb 0.75 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1e4h h GLU 63 CO 0.05 1.02 2.75 0.34 -0.73 0.00 0.00 179.01 182.44 1e4h n PHE 64 N -3.67 3.38 -1.83 0.92 7.35 -0.28 -4.95 117.46 118.37 1e4h n PHE 64 Ca -0.05 -2.68 -0.29 0.00 -0.76 0.00 0.00 57.45 53.67 1e4h n PHE 64 Cb 0.83 -2.42 0.13 0.00 0.35 0.00 0.00 39.48 38.37 1e4h n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1e4h s VAL 65 N 4.04 1.99 0.51 -2.13 -7.23 -1.26 -4.92 120.40 111.40 1e4h s VAL 65 Ca 0.51 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.45 1e4h s VAL 65 Cb 0.12 -2.95 -0.06 0.00 0.56 0.00 0.00 36.38 34.04 1e4h s VAL 65 CO -0.01 0.00 1.29 1.21 -0.31 0.00 0.00 175.10 177.28 1e4h n GLU 66 N -3.54 1.70 0.00 4.82 2.13 -1.26 -4.77 120.64 119.71 1e4h n GLU 66 Ca 0.10 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.54 1e4h n GLU 66 Cb 0.60 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.84 1e4h n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1e4h n GLY 67 N 0.83 0.31 3.68 8.31 0.00 -1.04 -4.99 105.19 112.28 1e4h n GLY 67 Ca 0.09 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 1e4h n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1e4h s ILE 68 N -2.00 5.36 0.17 -0.61 1.01 -1.26 -0.70 121.20 123.18 1e4h s ILE 68 Ca 0.00 0.24 0.11 0.00 0.00 0.00 0.00 60.65 61.00 1e4h s ILE 68 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1e4h s ILE 68 CO 0.00 0.37 -0.23 -0.31 0.00 0.00 0.00 174.94 174.76 1e4h s TYR 69 N 0.86 2.34 -0.08 3.97 1.51 0.73 -0.80 117.35 125.87 1e4h s TYR 69 Ca 0.09 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1e4h s TYR 69 Cb -0.13 -1.19 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1e4h s TYR 69 CO 0.03 0.46 -0.08 0.21 -1.11 0.00 0.00 175.55 175.06 1e4h s LYS 70 N -2.53 1.36 -0.26 -0.62 2.20 0.10 -0.99 119.74 118.99 1e4h s LYS 70 Ca 0.19 -0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 55.51 1e4h s LYS 70 Cb -0.09 -1.33 -0.00 0.00 -1.51 0.00 0.00 37.83 34.90 1e4h s LYS 70 CO 0.09 -0.15 0.03 0.08 -0.36 0.00 0.00 175.35 175.04 1e4h s VAL 71 N 1.28 3.74 -0.22 4.02 1.01 0.22 -0.50 120.40 129.94 1e4h s VAL 71 Ca -0.04 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1e4h s VAL 71 Cb -0.14 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1e4h s VAL 71 CO -0.03 0.23 -0.01 -1.61 0.00 0.00 0.00 175.10 173.69 1e4h s GLU 72 N 1.49 3.49 -0.24 2.72 2.02 0.90 -0.28 118.70 128.79 1e4h s GLU 72 Ca 0.04 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.37 1e4h s GLU 72 Cb -0.16 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1e4h s GLU 72 CO 0.00 -0.16 0.10 0.42 0.02 0.00 0.00 175.26 175.65 1e4h s ILE 73 N 1.42 4.68 -1.29 -1.63 1.01 0.64 -0.94 121.20 125.09 1e4h s ILE 73 Ca 0.05 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 1e4h s ILE 73 Cb -0.15 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.18 1e4h s ILE 73 CO -0.01 0.34 1.82 -0.67 0.00 0.00 0.00 174.94 176.43 1e4h n ASP 74 N 4.67 4.54 0.13 3.58 2.03 -0.03 -1.40 116.55 130.06 1e4h n ASP 74 Ca -0.16 -2.88 -0.02 0.00 0.52 0.00 0.00 54.79 52.26 1e4h n ASP 74 Cb 0.52 -1.73 0.16 0.00 -0.72 0.00 0.00 41.12 39.35 1e4h n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1e4h h THR 75 N 5.46 1.45 0.33 5.18 1.35 -1.87 -3.18 112.91 121.63 1e4h h THR 75 Ca 0.43 -2.14 -0.02 0.00 -0.55 0.00 0.00 66.41 64.14 1e4h h THR 75 Cb 0.85 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1e4h h THR 75 CO 1.48 0.61 -0.16 0.50 -0.25 0.00 0.00 175.52 177.71 1e4h h LYS 76 N 0.01 -0.43 -0.66 4.72 3.64 -1.72 -1.53 116.57 120.59 1e4h h LYS 76 Ca -0.01 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1e4h h LYS 76 Cb 1.11 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1e4h h LYS 76 CO 0.08 -0.27 0.44 0.77 -2.27 0.00 0.00 179.45 178.20 1e4h h SER 77 N -0.47 0.69 0.29 4.20 0.02 -1.85 0.03 113.55 116.46 1e4h h SER 77 Ca -0.05 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1e4h h SER 77 Cb 0.36 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1e4h h SER 77 CO 0.08 0.48 -0.14 0.22 -1.14 0.00 0.00 176.83 176.33 1e4h h TYR 78 N 0.80 -0.36 -0.42 3.45 3.20 -1.42 -1.31 116.97 120.92 1e4h h TYR 78 Ca 0.26 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1e4h h TYR 78 Cb 0.04 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1e4h h TYR 78 CO -0.00 -0.22 -0.07 -1.49 -1.64 0.00 0.00 178.16 174.74 1e4h h TRP 79 N -0.39 0.87 -0.96 -3.82 4.06 -0.88 -3.06 115.95 111.77 1e4h h TRP 79 Ca -0.04 -0.18 0.05 0.00 2.06 0.00 0.00 58.89 60.78 1e4h h TRP 79 Cb 0.30 -0.22 -0.06 0.00 -1.00 0.00 0.00 29.16 28.19 1e4h h TRP 79 CO -0.06 0.89 0.63 0.87 -3.56 0.00 0.00 178.44 177.21 1e4h h LYS 80 N 0.61 1.15 0.00 0.49 1.79 -0.44 0.14 116.57 120.30 1e4h h LYS 80 Ca 0.11 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1e4h h LYS 80 Cb 0.59 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1e4h h LYS 80 CO 0.03 0.76 -0.03 0.00 -1.08 0.00 0.00 179.45 179.13 1e4h h ALA 81 N 1.45 1.07 -0.50 3.86 0.00 -1.14 -1.33 119.26 122.67 1e4h h ALA 81 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1e4h h ALA 81 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1e4h h ALA 81 CO -0.13 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1e4h n LEU 82 N -3.23 3.26 0.00 0.00 4.77 0.35 -4.93 117.00 117.23 1e4h n LEU 82 Ca -0.01 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 1e4h n LEU 82 Cb 0.21 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1e4h n LEU 82 CO 0.26 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1e4h n GLY 83 N 1.48 0.52 3.35 -0.72 0.00 -0.50 -5.05 105.19 104.26 1e4h n GLY 83 Ca 0.20 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1e4h n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1e4h s ILE 84 N -2.00 2.60 -0.61 -0.61 1.01 -0.37 -4.99 121.20 116.23 1e4h s ILE 84 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 1e4h s ILE 84 Cb 0.00 -2.02 0.13 0.00 0.01 0.00 0.00 42.46 40.59 1e4h s ILE 84 CO 0.00 0.56 0.62 -0.44 0.00 0.00 0.00 174.94 175.69 1e4h s SER 85 N -0.11 6.27 0.78 3.58 0.01 -1.26 -2.10 113.70 120.86 1e4h s SER 85 Ca -0.03 -1.79 -0.12 0.00 1.31 0.00 0.00 55.95 55.32 1e4h s SER 85 Cb -0.14 -2.25 0.06 0.00 0.21 0.00 0.00 66.02 63.90 1e4h s SER 85 CO 0.04 -0.92 1.12 -2.16 0.41 0.00 0.00 173.24 171.73 1e4h s PRO 86 N 1.82 2.27 -0.09 12.44 0.04 -1.26 -5.02 135.00 145.20 1e4h s PRO 86 Ca 0.09 0.42 -0.26 0.00 0.04 0.00 0.00 61.00 61.29 1e4h s PRO 86 Cb -0.25 -1.96 -0.22 0.00 0.04 0.00 0.00 34.50 32.12 1e4h s PRO 86 CO 0.02 -1.45 0.94 0.35 0.04 0.00 0.00 177.00 176.91 1e4h h PHE 87 N -0.95 -0.02 -3.90 0.56 3.57 -1.63 -3.46 116.94 111.10 1e4h h PHE 87 Ca -0.46 -0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.57 1e4h h PHE 87 Cb 1.28 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1e4h h PHE 87 CO 0.43 0.69 0.34 -1.01 -2.23 0.00 0.00 178.31 176.53 1e4h s HIS 88 N -3.09 3.64 0.19 0.41 3.76 -1.26 -4.97 115.29 113.97 1e4h s HIS 88 Ca -0.17 1.75 -0.01 0.00 -0.15 0.00 0.00 55.06 56.48 1e4h s HIS 88 Cb -0.01 -2.90 0.11 0.00 1.11 0.00 0.00 32.58 30.89 1e4h s HIS 88 CO 0.64 0.17 1.48 0.93 -0.85 0.00 0.00 174.74 177.11 1e4h h GLU 89 N 3.00 0.43 0.00 1.40 4.39 -1.97 -3.37 114.58 118.45 1e4h h GLU 89 Ca -0.47 -0.31 0.16 0.00 0.34 0.00 0.00 59.36 59.08 1e4h h GLU 89 Cb 1.19 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 1e4h h GLU 89 CO 0.64 0.93 0.53 -2.39 -1.16 0.00 0.00 179.01 177.56 1e4h n HIS 90 N -3.89 -1.09 -4.07 4.33 1.44 -1.26 -3.39 115.22 107.29 1e4h n HIS 90 Ca -0.04 -0.99 -0.32 0.00 -2.01 0.00 0.00 57.72 54.37 1e4h n HIS 90 Cb 0.65 0.48 -0.16 0.00 0.12 0.00 0.00 29.99 31.08 1e4h n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1e4h s ALA 91 N -1.86 2.30 -0.15 1.59 0.00 -0.49 -4.86 121.76 118.29 1e4h s ALA 91 Ca 0.20 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1e4h s ALA 91 Cb -0.02 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 1e4h s ALA 91 CO 0.04 -0.73 -0.11 -1.83 0.00 0.00 0.00 175.76 173.13 1e4h s GLU 92 N 1.27 3.39 -0.25 0.00 -1.05 -1.26 -0.26 118.70 120.54 1e4h s GLU 92 Ca -0.01 -0.67 -0.06 0.00 -0.15 0.00 0.00 54.97 54.09 1e4h s GLU 92 Cb -0.16 -2.72 -0.01 0.00 -0.44 0.00 0.00 34.13 30.80 1e4h s GLU 92 CO -0.09 0.13 0.03 0.08 0.95 0.00 0.00 175.26 176.35 1e4h s VAL 93 N 0.59 3.88 -0.15 1.83 1.01 0.61 -4.95 120.40 123.22 1e4h s VAL 93 Ca -0.07 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 1e4h s VAL 93 Cb -0.15 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1e4h s VAL 93 CO 0.03 0.32 -0.14 -0.69 0.00 0.00 0.00 175.10 174.62 1e4h s VAL 94 N 1.54 2.82 0.08 2.92 1.01 -1.26 -0.61 120.40 126.90 1e4h s VAL 94 Ca 0.05 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 1e4h s VAL 94 Cb -0.15 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.09 1e4h s VAL 94 CO 0.01 0.51 0.52 0.72 0.00 0.00 0.00 175.10 176.86 1e4h s PHE 95 N 0.73 -0.42 -0.02 5.22 -0.71 -0.16 -4.99 117.98 117.63 1e4h s PHE 95 Ca -0.06 0.36 -0.21 0.00 -1.04 0.00 0.00 56.93 55.97 1e4h s PHE 95 Cb -0.15 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 41.99 1e4h s PHE 95 CO 0.01 -0.70 0.62 0.99 -1.34 0.00 0.00 175.22 174.80 1e4h s THR 96 N -2.96 4.93 0.11 -4.49 2.01 -1.26 -0.19 115.64 113.79 1e4h s THR 96 Ca -0.02 1.29 0.10 0.00 0.31 0.00 0.00 61.69 63.37 1e4h s THR 96 Cb -0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1e4h s THR 96 CO -0.06 0.38 -0.24 0.00 -0.69 0.00 0.00 174.62 174.01 1e4h s ALA 97 N 0.04 2.11 -1.29 7.40 0.00 0.12 -4.82 121.76 125.34 1e4h s ALA 97 Ca 0.32 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1e4h s ALA 97 Cb -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1e4h s ALA 97 CO 0.17 0.46 0.00 0.09 0.00 0.00 0.00 175.76 176.48 1e4h n ASN 98 N 1.07 -4.45 0.02 0.00 3.02 -1.26 -2.50 115.26 111.15 1e4h n ASN 98 Ca -0.19 0.15 0.12 0.00 -0.03 0.00 0.00 54.58 54.63 1e4h n ASN 98 Cb 0.53 -3.77 0.50 0.00 -0.61 0.00 0.00 39.78 36.43 1e4h n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1e4h n ASP 99 N -1.79 0.12 -0.67 6.41 5.75 -1.26 -2.54 116.55 122.57 1e4h n ASP 99 Ca -0.17 0.52 0.06 0.00 -0.01 0.00 0.00 54.79 55.18 1e4h n ASP 99 Cb 0.62 -0.55 0.17 0.00 -1.03 0.00 0.00 41.12 40.33 1e4h n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1e4h n SER 100 N -1.62 1.63 0.00 -1.12 7.64 -1.26 -5.09 113.62 113.81 1e4h n SER 100 Ca 0.06 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.48 1e4h n SER 100 Cb 0.30 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1e4h n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1e4h n GLY 101 N -0.88 1.76 3.77 0.23 0.00 -1.05 -5.02 105.19 104.00 1e4h n GLY 101 Ca 0.16 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1e4h n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1e4h s PRO 102 N -2.17 4.13 0.14 1.61 0.04 -1.26 -4.28 135.00 133.21 1e4h s PRO 102 Ca 0.00 2.55 -0.00 0.00 0.04 0.00 0.00 61.00 63.59 1e4h s PRO 102 Cb 0.00 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 1e4h s PRO 102 CO 0.00 -0.54 0.04 1.03 0.04 0.00 0.00 177.00 177.57 1e4h s ARG 103 N -1.63 0.98 -0.20 4.56 1.81 -1.26 -4.47 118.95 118.74 1e4h s ARG 103 Ca 0.55 -1.47 -0.06 0.00 -1.72 0.00 0.00 55.73 53.04 1e4h s ARG 103 Cb -0.46 0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.07 1e4h s ARG 103 CO 0.58 -0.21 0.03 1.03 -0.68 0.00 0.00 175.30 176.05 1e4h s ARG 104 N -4.00 3.72 -0.14 3.54 0.52 -0.05 -4.84 118.95 117.70 1e4h s ARG 104 Ca 0.23 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1e4h s ARG 104 Cb 0.07 -3.14 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 1e4h s ARG 104 CO 0.02 0.07 -0.14 0.71 0.02 0.00 0.00 175.30 175.97 1e4h s TYR 105 N 0.89 2.79 -0.24 -0.53 1.51 0.72 -1.60 117.35 120.88 1e4h s TYR 105 Ca 0.02 -0.81 -0.01 0.00 -1.01 0.00 0.00 57.07 55.26 1e4h s TYR 105 Cb -0.14 -1.86 0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1e4h s TYR 105 CO 0.02 -0.32 -0.08 0.99 -1.11 0.00 0.00 175.55 175.06 1e4h s THR 106 N 0.53 2.79 -0.43 -0.71 2.01 -0.51 -0.80 115.64 118.52 1e4h s THR 106 Ca -0.09 -1.02 -0.14 0.00 0.31 0.00 0.00 61.69 60.74 1e4h s THR 106 Cb -0.16 -2.40 0.04 0.00 0.01 0.00 0.00 72.50 70.00 1e4h s THR 106 CO 0.04 0.23 0.32 -0.63 -0.69 0.00 0.00 174.62 173.89 1e4h s ILE 107 N 1.32 5.10 -0.07 1.82 -1.09 0.33 -1.25 121.20 127.36 1e4h s ILE 107 Ca 0.00 -0.86 -0.06 0.00 -2.23 0.00 0.00 60.65 57.51 1e4h s ILE 107 Cb -0.16 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1e4h s ILE 107 CO -0.05 -0.40 0.18 0.00 -1.23 0.00 0.00 174.94 173.44 1e4h s ALA 108 N 1.64 3.89 -0.08 9.38 0.00 -0.07 -1.19 121.76 135.33 1e4h s ALA 108 Ca 0.04 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 1e4h s ALA 108 Cb -0.21 -1.97 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1e4h s ALA 108 CO 0.08 0.66 -0.04 0.00 0.00 0.00 0.00 175.76 176.46 1e4h s ALA 109 N -1.16 0.92 -0.36 0.00 0.00 0.13 -1.27 121.76 120.02 1e4h s ALA 109 Ca 0.21 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 1e4h s ALA 109 Cb -0.13 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1e4h s ALA 109 CO 0.10 -0.34 0.21 -1.17 0.00 0.00 0.00 175.76 174.56 1e4h s LEU 110 N 1.63 4.60 -0.09 0.00 2.96 0.38 -0.66 118.68 127.49 1e4h s LEU 110 Ca 0.01 -0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 53.06 1e4h s LEU 110 Cb -0.13 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1e4h s LEU 110 CO -0.05 -0.34 0.02 -0.76 -1.32 0.00 0.00 176.35 173.91 1e4h s LEU 111 N 1.59 3.71 0.04 -0.68 1.43 0.29 -1.28 118.68 123.78 1e4h s LEU 111 Ca 0.03 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1e4h s LEU 111 Cb -0.19 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1e4h s LEU 111 CO 0.07 0.38 -0.05 -0.44 0.23 0.00 0.00 176.35 176.54 1e4h s SER 112 N -0.88 0.55 0.28 2.29 0.01 -0.02 0.32 113.70 116.25 1e4h s SER 112 Ca 0.13 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.82 1e4h s SER 112 Cb -0.11 0.09 0.65 0.00 0.21 0.00 0.00 66.02 66.85 1e4h s SER 112 CO 0.03 -0.30 1.75 -0.65 0.41 0.00 0.00 173.24 174.48 1e4h h PRO 113 N 4.34 0.61 -0.14 12.44 0.11 -1.99 -2.81 132.00 144.57 1e4h h PRO 113 Ca -0.34 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1e4h h PRO 113 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1e4h h PRO 113 CO 0.45 0.41 -0.02 0.66 -0.21 0.00 0.00 178.00 179.28 1e4h n TYR 114 N -4.87 0.50 -3.57 0.65 4.02 -1.26 -1.51 117.16 111.12 1e4h n TYR 114 Ca 0.21 -1.00 -0.13 0.00 -0.01 0.00 0.00 57.90 56.97 1e4h n TYR 114 Cb 0.53 -0.25 -0.06 0.00 -0.02 0.00 0.00 39.34 39.55 1e4h n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1e4h s SER 115 N -2.44 -0.48 0.01 7.72 0.15 -1.06 -4.95 113.70 112.66 1e4h s SER 115 Ca 0.38 0.60 -0.16 0.00 0.70 0.00 0.00 55.95 57.46 1e4h s SER 115 Cb 0.32 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 65.15 1e4h s SER 115 CO 0.05 -0.39 0.35 -0.72 1.20 0.00 0.00 173.24 173.73 1e4h s TYR 116 N -0.90 -0.20 0.04 3.44 -0.85 -1.26 -0.84 117.35 116.77 1e4h s TYR 116 Ca -0.04 0.21 0.07 0.00 -0.52 0.00 0.00 57.07 56.79 1e4h s TYR 116 Cb -0.01 0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.44 1e4h s TYR 116 CO 0.03 -0.48 -0.20 0.45 -1.52 0.00 0.00 175.55 173.83 1e4h s SER 117 N -1.70 2.40 -0.01 -0.18 0.15 -0.41 -4.98 113.70 108.97 1e4h s SER 117 Ca -0.09 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.07 1e4h s SER 117 Cb -0.03 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1e4h s SER 117 CO 0.01 0.16 -0.05 0.28 1.20 0.00 0.00 173.24 174.83 1e4h s THR 118 N -0.78 0.45 0.04 6.45 -1.32 -1.26 -0.47 115.64 118.75 1e4h s THR 118 Ca 0.07 -0.20 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 1e4h s THR 118 Cb -0.09 -0.41 -0.02 0.00 -1.51 0.00 0.00 72.50 70.47 1e4h s THR 118 CO 0.02 0.15 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.59 1e4h s THR 119 N 0.15 0.69 -0.14 5.08 2.01 -0.40 -4.99 115.64 118.05 1e4h s THR 119 Ca -0.01 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1e4h s THR 119 Cb -0.06 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.74 1e4h s THR 119 CO -0.00 -0.27 -0.18 0.00 -0.69 0.00 0.00 174.62 173.48 1e4h s ALA 120 N -1.19 2.40 -0.29 7.40 0.00 -1.26 -0.89 121.76 127.93 1e4h s ALA 120 Ca -0.06 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 1e4h s ALA 120 Cb -0.09 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.94 1e4h s ALA 120 CO 0.01 0.06 0.06 0.08 0.00 0.00 0.00 175.76 175.96 1e4h s VAL 121 N 0.68 3.74 -0.15 0.00 1.01 -0.38 -4.97 120.40 120.32 1e4h s VAL 121 Ca -0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1e4h s VAL 121 Cb -0.16 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1e4h s VAL 121 CO 0.02 0.06 -0.14 -0.69 0.00 0.00 0.00 175.10 174.36 1e4h s VAL 122 N 1.45 2.87 0.26 2.92 1.01 -1.26 -1.43 120.40 126.22 1e4h s VAL 122 Ca 0.01 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1e4h s VAL 122 Cb -0.17 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1e4h s VAL 122 CO 0.01 0.51 0.02 0.42 0.00 0.00 0.00 175.10 176.06 1e4h s THR 123 N 0.68 1.04 0.53 3.92 -4.23 -0.63 -4.97 115.64 111.98 1e4h s THR 123 Ca -0.07 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.25 1e4h s THR 123 Cb -0.15 -2.48 -0.07 0.00 1.34 0.00 0.00 72.50 71.14 1e4h s THR 123 CO 0.02 -0.22 1.00 0.20 -0.54 0.00 0.00 174.62 175.09 1e4h s ASN 124 N -3.35 6.44 0.00 3.99 0.01 -1.26 -0.87 114.94 119.89 1e4h s ASN 124 Ca 0.31 1.63 0.00 0.00 -0.71 0.00 0.00 52.86 54.09 1e4h s ASN 124 Cb 0.06 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.21 1e4h s ASN 124 CO 0.11 -0.71 0.35 -2.65 -1.51 0.00 0.00 177.10 172.69