#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5m s SER 2 N 0.00 3.25 -0.16 1.61 0.15 -1.26 -5.17 113.70 112.13 1v5m s SER 2 Ca 0.00 -1.62 -0.12 0.00 0.70 0.00 0.00 55.95 54.91 1v5m s SER 2 Cb 0.00 0.40 0.05 0.00 -1.71 0.00 0.00 66.02 64.76 1v5m s SER 2 CO 0.00 -0.85 0.41 -0.44 1.20 0.00 0.00 173.24 173.56 1v5m s SER 3 N -3.69 -0.45 0.00 5.45 0.01 -1.26 -5.11 113.70 108.65 1v5m s SER 3 Ca 0.20 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.30 1v5m s SER 3 Cb 0.03 0.80 0.00 0.00 0.21 0.00 0.00 66.02 67.06 1v5m s SER 3 CO 0.11 -0.16 0.16 0.61 0.41 0.00 0.00 173.24 174.37 1v5m n GLY 4 N 3.39 -0.08 4.20 3.44 0.00 -1.26 -4.88 105.19 110.00 1v5m n GLY 4 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1v5m n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v5m n SER 5 N -0.39 -2.58 -0.25 1.61 3.41 -1.26 -4.76 113.62 109.39 1v5m n SER 5 Ca 0.00 -1.03 0.15 0.00 -0.26 0.00 0.00 58.87 57.73 1v5m n SER 5 Cb 0.00 -2.72 0.28 0.00 -0.26 0.00 0.00 64.21 61.51 1v5m n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1v5m n SER 6 N -2.71 0.00 0.00 4.04 7.64 -1.26 -4.87 113.62 116.46 1v5m n SER 6 Ca -0.00 1.27 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1v5m n SER 6 Cb 0.53 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1v5m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5m n GLY 7 N -1.33 2.70 0.07 0.23 0.00 -1.26 -4.99 105.19 100.61 1v5m n GLY 7 Ca 0.21 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.24 1v5m n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1v5m n ASN 8 N 0.00 1.69 -2.34 1.61 3.02 -1.26 -5.02 115.26 112.97 1v5m n ASN 8 Ca 0.00 0.57 -0.14 0.00 -0.03 0.00 0.00 54.58 54.98 1v5m n ASN 8 Cb 0.00 -0.83 0.05 0.00 -0.61 0.00 0.00 39.78 38.39 1v5m n ASN 8 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1v5m n LEU 9 N -4.42 -2.88 -4.07 3.41 7.94 -1.26 -5.04 117.00 110.69 1v5m n LEU 9 Ca -0.08 -0.32 -0.20 0.00 -1.11 0.00 0.00 56.01 54.30 1v5m n LEU 9 Cb 0.28 -2.00 -0.14 0.00 0.53 0.00 0.00 43.42 42.08 1v5m n LEU 9 CO 0.11 0.37 -0.45 0.00 -1.11 0.00 0.00 177.39 176.31 1v5m s ALA 10 N -3.19 0.93 -0.13 1.96 0.00 -1.26 -5.07 121.76 115.00 1v5m s ALA 10 Ca 0.30 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 1v5m s ALA 10 Cb -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1v5m s ALA 10 CO 0.43 0.21 -0.10 0.00 0.00 0.00 0.00 175.76 176.30 1v5m h ALA 11 N 5.66 0.01 -1.55 0.00 0.00 -2.08 -3.44 119.26 117.86 1v5m h ALA 11 Ca -0.33 -0.36 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 1v5m h ALA 11 Cb 1.18 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 1v5m h ALA 11 CO 0.48 0.34 0.84 0.15 0.00 0.00 0.00 179.25 181.07 1v5m s LYS 12 N -2.02 3.27 0.01 0.00 1.02 -1.26 -4.99 119.74 115.77 1v5m s LYS 12 Ca -0.10 -0.26 0.03 0.00 0.02 0.00 0.00 55.97 55.66 1v5m s LYS 12 Cb 0.01 -4.13 -0.01 0.00 -0.52 0.00 0.00 37.83 33.18 1v5m s LYS 12 CO 0.16 -1.86 -0.09 0.54 -0.92 0.00 0.00 175.35 173.18 1v5m s VAL 13 N 4.89 0.73 -0.22 3.17 0.11 -1.26 -5.13 120.40 122.69 1v5m s VAL 13 Ca 0.33 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1v5m s VAL 13 Cb -0.11 -0.65 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1v5m s VAL 13 CO 0.17 0.06 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.15 1v5m s GLU 14 N -0.60 2.53 0.50 1.54 2.56 -1.26 -5.12 118.70 118.85 1v5m s GLU 14 Ca 0.01 -1.06 0.09 0.00 0.00 0.00 0.00 54.97 54.01 1v5m s GLU 14 Cb -0.05 -2.69 0.05 0.00 2.00 0.00 0.00 34.13 33.44 1v5m s GLU 14 CO 0.00 -0.40 0.67 -0.48 -0.56 0.00 0.00 175.26 174.50 1v5m s LEU 15 N 1.22 3.35 0.02 2.70 2.34 -1.26 -5.14 118.68 121.91 1v5m s LEU 15 Ca -0.02 -0.66 0.00 0.00 0.06 0.00 0.00 54.13 53.51 1v5m s LEU 15 Cb -0.16 -2.10 -0.02 0.00 -0.56 0.00 0.00 46.19 43.35 1v5m s LEU 15 CO -0.09 -1.06 -0.03 0.54 -1.06 0.00 0.00 176.35 174.65 1v5m s VAL 16 N -2.52 0.18 0.15 1.48 0.11 -1.26 -5.06 120.40 113.47 1v5m s VAL 16 Ca 0.58 -0.69 -0.28 0.00 -2.93 0.00 0.00 61.98 58.66 1v5m s VAL 16 Cb -0.07 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1v5m s VAL 16 CO 0.36 -0.33 1.57 0.44 -3.33 0.00 0.00 175.10 173.82 1v5m h ASP 17 N 5.05 -1.42 -2.04 3.54 3.32 -1.99 -3.37 116.42 119.52 1v5m h ASP 17 Ca -0.31 0.21 -0.55 0.00 0.02 0.00 0.00 57.03 56.40 1v5m h ASP 17 Cb 1.21 0.61 -0.01 0.00 0.22 0.00 0.00 39.33 41.36 1v5m h ASP 17 CO 0.44 -0.38 1.48 -0.63 -1.72 0.00 0.00 179.24 178.42 1v5m s ILE 18 N -5.85 3.12 -0.01 0.35 1.09 -1.26 -3.94 121.20 114.70 1v5m s ILE 18 Ca -0.15 0.11 -0.21 0.00 -1.10 0.00 0.00 60.65 59.30 1v5m s ILE 18 Cb 0.11 -3.19 -0.23 0.00 -1.06 0.00 0.00 42.46 38.09 1v5m s ILE 18 CO 0.65 -0.14 1.10 1.56 -0.10 0.00 0.00 174.94 178.01 1v5m h GLN 19 N 15.69 0.34 -1.85 2.79 1.08 -1.47 -3.47 115.11 128.23 1v5m h GLN 19 Ca -0.35 -0.35 0.01 0.00 -1.45 0.00 0.00 58.65 56.51 1v5m h GLN 19 Cb 1.23 0.09 -0.23 0.00 -0.05 0.00 0.00 27.48 28.52 1v5m h GLN 19 CO 1.03 1.03 0.23 0.50 -0.95 0.00 0.00 178.83 180.68 1v5m s ARG 20 N -3.27 0.69 -0.12 1.46 6.06 -1.25 -5.01 118.95 117.53 1v5m s ARG 20 Ca -0.14 0.88 -0.10 0.00 -2.50 0.00 0.00 55.73 53.88 1v5m s ARG 20 Cb 0.03 0.31 0.03 0.00 0.06 0.00 0.00 34.95 35.38 1v5m s ARG 20 CO 0.79 -0.09 0.30 -2.00 -2.50 0.00 0.00 175.30 171.80 1v5m s GLU 21 N 0.55 0.34 -0.00 5.12 2.12 -1.26 -0.68 118.70 124.88 1v5m s GLU 21 Ca -0.01 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.50 1v5m s GLU 21 Cb -0.05 0.12 0.10 0.00 0.26 0.00 0.00 34.13 34.56 1v5m s GLU 21 CO -0.05 -0.07 0.89 0.20 -0.54 0.00 0.00 175.26 175.69 1v5m s GLY 22 N 0.39 -0.46 -0.51 -1.50 0.00 0.27 -5.01 107.32 100.50 1v5m s GLY 22 Ca -0.02 0.99 -0.18 0.00 0.00 0.00 0.00 44.72 45.51 1v5m s GLY 22 CO -0.02 0.33 0.59 0.00 0.00 0.00 0.00 173.10 174.00 1v5m s ALA 23 N -3.13 3.43 0.26 3.20 0.00 -1.26 -0.11 121.76 124.15 1v5m s ALA 23 Ca 0.05 -1.90 0.02 0.00 0.00 0.00 0.00 51.96 50.13 1v5m s ALA 23 Cb -0.01 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1v5m s ALA 23 CO -0.09 -2.00 0.15 -0.48 0.00 0.00 0.00 175.76 173.33 1v5m s LEU 24 N 2.42 1.49 0.25 0.00 2.34 -0.21 -4.94 118.68 120.04 1v5m s LEU 24 Ca 0.12 -1.48 -0.03 0.00 0.06 0.00 0.00 54.13 52.81 1v5m s LEU 24 Cb -0.21 0.25 -0.05 0.00 -0.56 0.00 0.00 46.19 45.62 1v5m s LEU 24 CO 0.10 -0.85 0.48 -0.13 -1.06 0.00 0.00 176.35 174.89 1v5m s ARG 25 N -3.95 3.58 0.00 1.48 0.52 -1.23 -1.35 118.95 117.99 1v5m s ARG 25 Ca 0.38 -0.17 -0.07 0.00 -0.52 0.00 0.00 55.73 55.35 1v5m s ARG 25 Cb 0.06 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.80 1v5m s ARG 25 CO 0.16 0.30 0.14 -0.59 0.02 0.00 0.00 175.30 175.33 1v5m s PHE 26 N -1.99 0.03 0.02 -0.53 -0.71 -0.57 -2.13 117.98 112.11 1v5m s PHE 26 Ca 0.41 -0.11 -0.10 0.00 -1.04 0.00 0.00 56.93 56.10 1v5m s PHE 26 Cb -0.11 -0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.67 1v5m s PHE 26 CO 0.30 -0.28 0.20 0.00 -1.34 0.00 0.00 175.22 174.09 1v5m s MET 27 N -1.32 0.63 -0.15 1.99 0.23 -0.17 -2.88 119.30 117.64 1v5m s MET 27 Ca -0.14 -0.50 -0.01 0.00 -1.03 0.00 0.00 55.69 54.01 1v5m s MET 27 Cb -0.07 0.27 -0.01 0.00 -1.53 0.00 0.00 34.83 33.48 1v5m s MET 27 CO 0.02 -0.17 -0.12 0.08 -2.03 0.00 0.00 175.02 172.79 1v5m s VAL 28 N -2.05 3.06 -0.49 5.16 1.01 -1.26 0.12 120.40 125.95 1v5m s VAL 28 Ca -0.09 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 1v5m s VAL 28 Cb -0.03 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1v5m s VAL 28 CO -0.01 0.51 2.05 0.00 0.00 0.00 0.00 175.10 177.65 1v5m s ALA 29 N 0.55 2.17 0.26 5.51 0.00 -1.21 -4.91 121.76 124.13 1v5m s ALA 29 Ca -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 1v5m s ALA 29 Cb -0.16 -4.25 -0.02 0.00 0.00 0.00 0.00 23.12 18.70 1v5m s ALA 29 CO 0.04 -3.76 0.31 0.16 0.00 0.00 0.00 175.76 172.50 1v5m s ASP 30 N 9.05 0.51 -0.18 0.00 -4.77 -1.26 -4.82 116.67 115.20 1v5m s ASP 30 Ca 0.82 -1.37 -0.08 0.00 -3.30 0.00 0.00 52.55 48.62 1v5m s ASP 30 Cb -0.17 0.52 -0.04 0.00 -1.09 0.00 0.00 42.92 42.13 1v5m s ASP 30 CO 0.26 -1.05 0.07 1.51 0.70 0.00 0.00 175.17 176.66 1v5m s ASP 31 N -3.18 5.67 1.27 2.11 1.47 -1.26 -4.91 116.67 117.84 1v5m s ASP 31 Ca 0.34 0.09 -0.15 0.00 1.18 0.00 0.00 52.55 54.00 1v5m s ASP 31 Cb 0.03 -1.97 0.24 0.00 -0.34 0.00 0.00 42.92 40.87 1v5m s ASP 31 CO 0.16 0.17 0.64 0.00 0.68 0.00 0.00 175.17 176.82 1v5m n ALA 32 N 3.54 -3.05 -0.05 2.11 0.00 -1.26 -5.02 120.51 116.79 1v5m n ALA 32 Ca -0.16 -1.05 -0.07 0.00 0.00 0.00 0.00 53.44 52.15 1v5m n ALA 32 Cb 0.52 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 1v5m n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5m n ALA 33 N -4.65 1.80 -2.60 0.00 0.00 -1.26 -4.90 120.51 108.89 1v5m n ALA 33 Ca -0.13 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1v5m n ALA 33 Cb 0.40 0.28 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 1v5m n ALA 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1v5m s SER 34 N -4.94 6.41 0.11 0.00 1.04 -1.26 -4.87 113.70 110.19 1v5m s SER 34 Ca -0.13 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1v5m s SER 34 Cb 0.03 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1v5m s SER 34 CO 0.22 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1v5m n GLY 35 N 5.08 -1.01 0.17 7.32 0.00 -1.26 -4.22 105.19 111.28 1v5m n GLY 35 Ca 0.06 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1v5m n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v5m h PRO 36 N 0.00 0.52 0.00 1.61 0.13 -1.94 -3.47 132.00 128.85 1v5m h PRO 36 Ca 0.00 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1v5m h PRO 36 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1v5m h PRO 36 CO 0.00 0.85 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 1v5m n GLY 37 N 0.17 -2.26 0.00 1.56 0.00 -1.26 -4.55 105.19 98.85 1v5m n GLY 37 Ca -0.05 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1v5m n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5m n GLY 38 N -0.14 0.70 0.17 -0.02 0.00 -1.26 -5.01 105.19 99.63 1v5m n GLY 38 Ca 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 1v5m n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1v5m n THR 39 N 0.00 1.32 -3.40 2.61 -2.24 -1.26 -5.03 114.28 106.28 1v5m n THR 39 Ca 0.00 -0.43 -0.19 0.00 -2.27 0.00 0.00 64.05 61.16 1v5m n THR 39 Cb 0.00 -1.54 0.07 0.00 -2.10 0.00 0.00 70.33 66.76 1v5m n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v5m n ALA 40 N -3.58 -1.32 -2.65 6.98 0.00 -1.26 -4.96 120.51 113.72 1v5m n ALA 40 Ca -0.44 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1v5m n ALA 40 Cb 0.89 -4.14 -0.04 0.00 0.00 0.00 0.00 19.45 16.16 1v5m n ALA 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1v5m s GLN 41 N -5.88 4.23 0.67 0.00 -0.21 -1.26 -5.04 119.66 112.17 1v5m s GLN 41 Ca 0.37 1.00 -0.11 0.00 0.02 0.00 0.00 55.36 56.64 1v5m s GLN 41 Cb -0.16 -3.62 -0.01 0.00 1.00 0.00 0.00 33.01 30.22 1v5m s GLN 41 CO 0.64 -0.46 1.05 -1.58 -2.12 0.00 0.00 175.29 172.82 1v5m s TRP 42 N 2.62 3.28 -0.06 0.91 0.52 -1.26 -4.89 118.94 120.06 1v5m s TRP 42 Ca 0.37 1.38 0.02 0.00 0.02 0.00 0.00 56.10 57.88 1v5m s TRP 42 Cb -0.16 -2.83 0.01 0.00 -1.15 0.00 0.00 33.47 29.35 1v5m s TRP 42 CO 0.09 -1.06 -0.11 -0.65 0.02 0.00 0.00 176.95 175.24 1v5m s GLN 43 N -5.09 1.56 0.19 4.98 -1.52 -1.14 -4.96 119.66 113.69 1v5m s GLN 43 Ca 0.57 -0.36 -0.32 0.00 -1.95 0.00 0.00 55.36 53.30 1v5m s GLN 43 Cb -0.13 -1.32 -0.11 0.00 -0.22 0.00 0.00 33.01 31.23 1v5m s GLN 43 CO 0.55 0.01 1.64 0.15 -0.25 0.00 0.00 175.29 177.38 1v5m s LYS 44 N 0.71 4.17 0.34 2.91 3.01 -1.26 -1.51 119.74 128.11 1v5m s LYS 44 Ca -0.14 2.49 -0.13 0.00 -1.01 0.00 0.00 55.97 57.18 1v5m s LYS 44 Cb -0.16 -3.11 0.03 0.00 -1.01 0.00 0.00 37.83 33.59 1v5m s LYS 44 CO 0.03 -0.67 0.66 0.00 0.51 0.00 0.00 175.35 175.87 1v5m s ARG 46 N -3.01 1.18 -0.30 0.00 3.52 -0.73 -1.04 118.95 118.56 1v5m s ARG 46 Ca 0.19 -0.46 -0.25 0.00 -0.13 0.00 0.00 55.73 55.08 1v5m s ARG 46 Cb -0.03 -1.96 0.01 0.00 -1.56 0.00 0.00 34.95 31.40 1v5m s ARG 46 CO 0.12 -0.48 0.89 -1.17 -0.81 0.00 0.00 175.30 173.85 1v5m s LEU 47 N 1.70 4.05 -0.20 -0.88 2.96 0.85 -2.89 118.68 124.28 1v5m s LEU 47 Ca 0.00 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 1v5m s LEU 47 Cb -0.16 -3.24 0.04 0.00 0.50 0.00 0.00 46.19 43.33 1v5m s LEU 47 CO -0.07 -0.69 -0.11 -0.22 -1.32 0.00 0.00 176.35 173.94 1v5m s LEU 48 N 3.16 2.25 -0.60 -0.68 2.96 -1.18 -0.57 118.68 124.03 1v5m s LEU 48 Ca 0.37 -0.86 -0.15 0.00 -0.22 0.00 0.00 54.13 53.27 1v5m s LEU 48 Cb -0.14 -1.24 0.15 0.00 0.50 0.00 0.00 46.19 45.46 1v5m s LEU 48 CO 0.12 -0.13 0.55 -0.22 -1.32 0.00 0.00 176.35 175.35 1v5m s LEU 49 N 1.39 6.27 0.26 -0.68 0.20 0.15 -3.16 118.68 123.11 1v5m s LEU 49 Ca -0.01 -2.01 0.09 0.00 0.69 0.00 0.00 54.13 52.90 1v5m s LEU 49 Cb -0.16 -2.19 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 1v5m s LEU 49 CO -0.08 -0.78 0.01 -0.13 -0.29 0.00 0.00 176.35 175.08 1v5m s ARG 50 N 1.25 2.35 -0.00 1.98 0.52 -1.24 -1.59 118.95 122.21 1v5m s ARG 50 Ca 0.07 -1.38 -0.19 0.00 -0.52 0.00 0.00 55.73 53.70 1v5m s ARG 50 Cb -0.25 -2.20 -0.06 0.00 0.52 0.00 0.00 34.95 32.97 1v5m s ARG 50 CO 0.00 0.37 0.56 0.50 0.02 0.00 0.00 175.30 176.75 1v5m s ARG 51 N -3.68 4.25 0.10 3.54 3.52 -1.25 -3.05 118.95 122.38 1v5m s ARG 51 Ca 0.31 0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 56.58 1v5m s ARG 51 Cb -0.07 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1v5m s ARG 51 CO 0.20 0.44 0.27 0.00 -0.81 0.00 0.00 175.30 175.39 1v5m s ALA 52 N -0.38 3.95 0.09 6.12 0.00 0.11 -4.95 121.76 126.70 1v5m s ALA 52 Ca 0.29 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1v5m s ALA 52 Cb -0.18 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1v5m s ALA 52 CO 0.16 0.71 -0.12 0.14 0.00 0.00 0.00 175.76 176.65 1v5m s VAL 53 N -1.61 1.08 -0.90 0.00 -7.23 -1.25 -4.43 120.40 106.06 1v5m s VAL 53 Ca 0.36 -1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 1v5m s VAL 53 Cb -0.12 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.56 1v5m s VAL 53 CO 0.28 -0.40 0.78 0.00 -0.31 0.00 0.00 175.10 175.45 1v5m n ALA 54 N 0.85 -1.07 0.00 1.32 0.00 -1.26 -4.69 120.51 115.66 1v5m n ALA 54 Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1v5m n ALA 54 Cb 0.56 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.76 1v5m n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v5m n GLY 55 N -1.39 -1.27 3.88 0.00 0.00 -1.26 -5.13 105.19 100.01 1v5m n GLY 55 Ca -0.06 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 1v5m n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v5m s GLU 56 N 0.00 3.79 -0.04 1.61 2.56 -1.26 -5.03 118.70 120.33 1v5m s GLU 56 Ca 0.00 0.40 -0.18 0.00 0.00 0.00 0.00 54.97 55.19 1v5m s GLU 56 Cb 0.00 -2.47 -0.11 0.00 2.00 0.00 0.00 34.13 33.55 1v5m s GLU 56 CO 0.00 0.07 0.75 0.07 -0.56 0.00 0.00 175.26 175.60 1v5m h ARG 57 N 1.62 -0.43 -5.26 4.30 0.11 -1.98 -3.32 114.38 109.41 1v5m h ARG 57 Ca -0.47 0.03 -0.44 0.00 0.10 0.00 0.00 59.98 59.19 1v5m h ARG 57 Cb 1.18 0.10 -0.14 0.00 1.11 0.00 0.00 29.97 32.22 1v5m h ARG 57 CO 0.65 -0.17 -0.65 -0.06 0.10 0.00 0.00 179.97 179.84 1v5m s PHE 58 N -3.47 1.80 -0.25 4.08 0.08 -1.26 0.08 117.98 119.03 1v5m s PHE 58 Ca -0.10 -0.86 -0.14 0.00 0.12 0.00 0.00 56.93 55.95 1v5m s PHE 58 Cb 0.01 -1.08 0.08 0.00 -0.57 0.00 0.00 43.02 41.46 1v5m s PHE 58 CO 0.33 0.08 0.62 0.50 -0.10 0.00 0.00 175.22 176.66 1v5m s ARG 59 N -3.83 0.63 0.08 0.44 3.52 -1.17 -1.82 118.95 116.81 1v5m s ARG 59 Ca 0.31 1.13 -0.10 0.00 -0.13 0.00 0.00 55.73 56.94 1v5m s ARG 59 Cb 0.06 0.11 -0.06 0.00 -1.56 0.00 0.00 34.95 33.50 1v5m s ARG 59 CO 0.12 -0.15 0.40 -0.51 -0.81 0.00 0.00 175.30 174.35 1v5m s LEU 60 N 1.59 4.35 0.01 -0.88 2.01 0.24 -3.73 118.68 122.27 1v5m s LEU 60 Ca -0.10 0.79 0.05 0.00 0.01 0.00 0.00 54.13 54.88 1v5m s LEU 60 Cb -0.06 -3.00 -0.01 0.00 0.01 0.00 0.00 46.19 43.13 1v5m s LEU 60 CO -0.18 0.17 -0.15 -1.61 1.01 0.00 0.00 176.35 175.59 1v5m s GLU 61 N -1.93 1.10 -0.65 1.70 8.01 -1.19 -0.33 118.70 125.42 1v5m s GLU 61 Ca 0.33 -0.60 0.05 0.00 0.01 0.00 0.00 54.97 54.76 1v5m s GLU 61 Cb -0.14 -1.09 0.18 0.00 -4.31 0.00 0.00 34.13 28.78 1v5m s GLU 61 CO 0.18 0.29 0.52 1.19 0.01 0.00 0.00 175.26 177.45 1v5m n PHE 62 N 2.44 2.63 -1.70 1.61 3.01 -1.25 -3.11 117.46 121.09 1v5m n PHE 62 Ca -0.15 -4.13 -0.43 0.00 1.01 0.00 0.00 57.45 53.75 1v5m n PHE 62 Cb 0.55 -0.48 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1v5m n PHE 62 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1v5m s PHE 63 N -1.41 1.32 -0.25 1.38 0.08 -1.14 -2.51 117.98 115.45 1v5m s PHE 63 Ca 0.29 0.23 -0.02 0.00 0.12 0.00 0.00 56.93 57.55 1v5m s PHE 63 Cb 0.01 -4.04 0.08 0.00 -0.57 0.00 0.00 43.02 38.49 1v5m s PHE 63 CO -0.15 -4.39 0.06 0.08 -0.10 0.00 0.00 175.22 170.73 1v5m s VAL 64 N 6.74 0.71 1.01 -0.44 1.01 -1.26 -1.35 120.40 126.83 1v5m s VAL 64 Ca 0.93 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1v5m s VAL 64 Cb -0.35 -1.36 0.20 0.00 0.00 0.00 0.00 36.38 34.87 1v5m s VAL 64 CO 0.36 -0.44 1.09 -2.16 0.00 0.00 0.00 175.10 173.95 1v5m s PRO 65 N 1.74 0.31 0.00 2.72 0.04 -1.26 -4.72 135.00 133.83 1v5m s PRO 65 Ca 0.04 0.48 0.15 0.00 0.04 0.00 0.00 61.00 61.71 1v5m s PRO 65 Cb -0.17 -1.73 0.88 0.00 0.04 0.00 0.00 34.50 33.52 1v5m s PRO 65 CO -0.17 -2.81 1.30 -0.35 0.04 0.00 0.00 177.00 175.01 1v5m n PRO 66 N -4.22 0.49 -0.00 0.56 -0.04 -0.45 -2.12 135.00 129.21 1v5m n PRO 66 Ca 0.05 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 1v5m n PRO 66 Cb 0.57 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 1v5m n PRO 66 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1v5m n LYS 67 N -0.98 0.65 -1.71 0.54 0.00 -1.26 -4.77 118.16 110.62 1v5m n LYS 67 Ca 0.11 0.01 -0.39 0.00 0.00 0.00 0.00 58.31 58.04 1v5m n LYS 67 Cb 0.05 -1.65 0.03 0.00 0.00 0.00 0.00 35.03 33.47 1v5m n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1v5m n ALA 68 N -2.39 1.34 0.11 3.14 0.00 -0.90 -4.91 120.51 116.89 1v5m n ALA 68 Ca -0.11 0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1v5m n ALA 68 Cb 0.77 -2.30 0.15 0.00 0.00 0.00 0.00 19.45 18.08 1v5m n ALA 68 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1v5m h SER 69 N 1.57 0.16 -3.83 0.00 0.02 -1.92 -3.44 113.55 106.10 1v5m h SER 69 Ca -0.50 -0.09 -0.68 0.00 -0.84 0.00 0.00 61.79 59.68 1v5m h SER 69 Cb 1.31 -0.05 -0.20 0.00 0.14 0.00 0.00 62.40 63.60 1v5m h SER 69 CO 0.57 0.71 -0.74 -0.13 -1.14 0.00 0.00 176.83 176.10 1v5m s ARG 70 N -3.75 2.47 0.54 3.45 0.52 -1.26 -5.11 118.95 115.81 1v5m s ARG 70 Ca -0.03 -0.74 -0.20 0.00 -0.52 0.00 0.00 55.73 54.25 1v5m s ARG 70 Cb 0.12 -2.41 -0.06 0.00 0.52 0.00 0.00 34.95 33.12 1v5m s ARG 70 CO 0.78 0.61 1.13 -1.25 0.02 0.00 0.00 175.30 176.59 1v5m s PRO 71 N -1.10 3.38 -0.09 3.54 0.04 -1.26 -4.65 135.00 134.85 1v5m s PRO 71 Ca 0.14 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1v5m s PRO 71 Cb -0.11 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.15 1v5m s PRO 71 CO 0.04 -0.83 0.47 1.17 0.04 0.00 0.00 177.00 177.89 1v5m n LYS 72 N -1.25 0.72 -3.03 4.56 4.81 -1.04 -4.52 118.16 118.40 1v5m n LYS 72 Ca 0.11 0.27 -0.23 0.00 -0.87 0.00 0.00 58.31 57.60 1v5m n LYS 72 Cb 0.51 -1.74 -0.04 0.00 0.02 0.00 0.00 35.03 33.78 1v5m n LYS 72 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1v5m n VAL 73 N -3.35 1.76 -1.89 3.15 0.31 -1.22 -5.02 118.33 112.08 1v5m n VAL 73 Ca -0.27 -5.17 -0.38 0.00 -0.01 0.00 0.00 64.34 58.52 1v5m n VAL 73 Cb 1.05 -0.93 -0.03 0.00 -0.91 0.00 0.00 33.84 33.02 1v5m n VAL 73 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1v5m s SER 74 N -3.06 5.02 -0.18 4.52 1.04 -1.26 -3.80 113.70 115.98 1v5m s SER 74 Ca 0.45 0.59 -0.07 0.00 0.48 0.00 0.00 55.95 57.39 1v5m s SER 74 Cb 0.31 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 1v5m s SER 74 CO -0.12 -2.52 0.07 -0.63 0.98 0.00 0.00 173.24 171.02 1v5m s ILE 75 N 10.01 4.82 0.54 -1.02 1.01 0.56 -4.96 121.20 132.16 1v5m s ILE 75 Ca 0.77 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 61.20 1v5m s ILE 75 Cb -0.14 -3.17 -0.06 0.00 0.01 0.00 0.00 42.46 39.10 1v5m s ILE 75 CO 0.23 0.47 1.13 -2.16 0.00 0.00 0.00 174.94 174.60 1v5m s PRO 76 N 0.32 3.35 0.00 2.79 0.04 -1.26 0.83 135.00 141.07 1v5m s PRO 76 Ca 0.04 1.62 0.15 0.00 0.04 0.00 0.00 61.00 62.84 1v5m s PRO 76 Cb -0.12 -2.00 0.72 0.00 0.04 0.00 0.00 34.50 33.13 1v5m s PRO 76 CO 0.00 -0.85 1.44 -0.11 0.04 0.00 0.00 177.00 177.52 1v5m n LEU 77 N -1.30 0.00 0.06 -3.56 -0.00 -0.75 -2.03 117.00 109.42 1v5m n LEU 77 Ca 0.12 0.35 0.03 0.00 -0.00 0.00 0.00 56.01 56.51 1v5m n LEU 77 Cb 0.51 -0.35 -0.05 0.00 -0.00 0.00 0.00 43.42 43.52 1v5m n LEU 77 CO 0.42 -0.18 -0.15 -1.28 -0.00 0.00 0.00 177.39 176.20 1v5m h SER 78 N 0.00 0.00 -0.26 1.96 0.87 -1.91 -3.35 113.55 110.85 1v5m h SER 78 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1v5m h SER 78 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1v5m h SER 78 CO 0.00 0.43 -0.40 0.00 -0.53 0.00 0.00 176.83 176.33 1v5m h ALA 79 N 1.57 0.66 -2.66 6.23 0.00 -1.79 -3.45 119.26 119.82 1v5m h ALA 79 Ca -0.11 -0.46 -0.55 0.00 0.00 0.00 0.00 54.91 53.79 1v5m h ALA 79 Cb 1.43 -0.11 0.09 0.00 0.00 0.00 0.00 17.79 19.19 1v5m h ALA 79 CO 0.04 0.67 0.77 -0.89 0.00 0.00 0.00 179.25 179.84 1v5m n ILE 80 N -4.04 1.20 0.00 0.00 2.08 -1.25 0.66 119.36 118.01 1v5m n ILE 80 Ca -0.02 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 62.99 1v5m n ILE 80 Cb 0.54 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 1v5m n ILE 80 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1v5m n ILE 81 N 1.74 0.00 -3.66 1.39 -5.35 -0.81 -4.82 119.36 107.84 1v5m n ILE 81 Ca 0.08 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.47 1v5m n ILE 81 Cb 0.36 -0.69 -0.08 0.00 -1.74 0.00 0.00 39.64 37.48 1v5m n ILE 81 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1v5m s GLU 82 N -1.79 0.61 -0.47 6.28 2.12 -1.13 -5.08 118.70 119.24 1v5m s GLU 82 Ca 0.00 1.01 -0.02 0.00 0.36 0.00 0.00 54.97 56.31 1v5m s GLU 82 Cb 0.00 0.13 0.12 0.00 0.26 0.00 0.00 34.13 34.65 1v5m s GLU 82 CO 0.00 -0.14 0.27 0.54 -0.54 0.00 0.00 175.26 175.39 1v5m s VAL 83 N 1.27 3.35 0.33 3.70 0.11 -1.26 -1.45 120.40 126.44 1v5m s VAL 83 Ca -0.08 -2.36 -0.28 0.00 -2.93 0.00 0.00 61.98 56.34 1v5m s VAL 83 Cb -0.06 -3.27 -0.10 0.00 -1.53 0.00 0.00 36.38 31.43 1v5m s VAL 83 CO -0.13 -0.74 1.19 -0.60 -3.33 0.00 0.00 175.10 171.48 1v5m s ARG 84 N 0.76 4.40 -0.01 1.54 3.52 -0.31 -4.85 118.95 124.00 1v5m s ARG 84 Ca 0.11 1.95 0.07 0.00 -0.13 0.00 0.00 55.73 57.74 1v5m s ARG 84 Cb -0.22 -3.02 -0.10 0.00 -1.56 0.00 0.00 34.95 30.05 1v5m s ARG 84 CO -0.04 -0.05 0.22 0.25 -0.81 0.00 0.00 175.30 174.87 1v5m n THR 85 N 0.78 0.00 -2.46 4.11 -2.24 -1.26 0.13 114.28 113.34 1v5m n THR 85 Ca 0.01 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 1v5m n THR 85 Cb 0.44 0.62 0.04 0.00 -2.10 0.00 0.00 70.33 69.33 1v5m n THR 85 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1v5m s THR 86 N -2.15 2.85 0.23 4.28 -1.32 -1.26 -4.75 115.64 113.51 1v5m s THR 86 Ca -0.00 -0.37 0.03 0.00 -1.21 0.00 0.00 61.69 60.13 1v5m s THR 86 Cb 0.05 -3.14 -0.05 0.00 -1.51 0.00 0.00 72.50 67.85 1v5m s THR 86 CO 0.30 -0.13 0.02 -0.04 -2.21 0.00 0.00 174.62 172.57 1v5m s MET 87 N -4.97 1.31 0.00 7.08 -1.94 -1.26 -4.84 119.30 114.68 1v5m s MET 87 Ca 0.57 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 1v5m s MET 87 Cb -0.10 -0.46 0.00 0.00 2.01 0.00 0.00 34.83 36.28 1v5m s MET 87 CO 0.42 -0.15 0.00 -0.35 -0.01 0.00 0.00 175.02 174.93 1v5m n PRO 88 N -0.39 0.36 0.00 2.03 -0.04 -1.26 -4.85 135.00 130.85 1v5m n PRO 88 Ca -0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.43 1v5m n PRO 88 Cb 0.64 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.20 1v5m n PRO 88 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1v5m n LEU 89 N 0.00 0.00 -2.05 1.53 7.99 -1.26 -3.36 117.00 119.85 1v5m n LEU 89 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.75 1v5m n LEU 89 Cb 0.00 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.35 1v5m n LEU 89 CO 0.00 0.00 0.44 -1.84 -1.51 0.00 0.00 177.39 174.48 1v5m n GLU 90 N -0.56 3.39 -3.69 3.23 0.28 -1.26 -4.99 120.64 117.05 1v5m n GLU 90 Ca 0.03 -3.98 -0.12 0.00 -0.16 0.00 0.00 57.16 52.93 1v5m n GLU 90 Cb 0.01 -2.27 -0.09 0.00 1.43 0.00 0.00 31.44 30.52 1v5m n GLU 90 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1v5m s MET 91 N -3.63 0.57 0.00 3.44 1.75 -1.21 -5.02 119.30 115.19 1v5m s MET 91 Ca 0.53 0.79 0.11 0.00 -1.25 0.00 0.00 55.69 55.88 1v5m s MET 91 Cb 0.43 0.21 0.65 0.00 2.84 0.00 0.00 34.83 38.95 1v5m s MET 91 CO 0.03 -0.10 1.08 -0.35 -0.65 0.00 0.00 175.02 175.03 1v5m n PRO 92 N 3.30 0.49 -3.02 4.11 -0.04 -1.26 -4.85 135.00 133.73 1v5m n PRO 92 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1v5m n PRO 92 Cb 0.56 -1.35 0.06 0.00 -0.04 0.00 0.00 33.50 32.74 1v5m n PRO 92 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1v5m n GLU 93 N -0.85 -3.59 -3.31 0.54 2.13 -1.26 -5.00 120.64 109.30 1v5m n GLU 93 Ca 0.08 0.68 -0.34 0.00 0.66 0.00 0.00 57.16 58.24 1v5m n GLU 93 Cb 0.04 -5.07 -0.06 0.00 0.27 0.00 0.00 31.44 26.62 1v5m n GLU 93 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1v5m s LYS 94 N -4.61 3.99 -0.34 5.31 0.00 -1.26 -4.98 119.74 117.85 1v5m s LYS 94 Ca 0.18 0.52 -0.01 0.00 0.00 0.00 0.00 55.97 56.65 1v5m s LYS 94 Cb -0.02 -2.81 0.20 0.00 0.00 0.00 0.00 37.83 35.20 1v5m s LYS 94 CO 0.58 0.40 2.11 -0.25 0.00 0.00 0.00 175.35 178.19 1v5m n ASP 95 N 0.47 6.50 -0.22 0.03 8.00 -1.26 -3.90 116.55 126.16 1v5m n ASP 95 Ca -0.03 -3.09 0.05 0.00 0.71 0.00 0.00 54.79 52.42 1v5m n ASP 95 Cb 0.52 -1.08 0.06 0.00 -0.02 0.00 0.00 41.12 40.61 1v5m n ASP 95 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1v5m n ASN 96 N 0.39 1.25 -3.94 -2.24 5.15 -1.26 -4.09 115.26 110.51 1v5m n ASN 96 Ca 0.33 -2.42 -0.09 0.00 -0.60 0.00 0.00 54.58 51.80 1v5m n ASN 96 Cb 0.58 -0.27 -0.08 0.00 -0.53 0.00 0.00 39.78 39.48 1v5m n ASN 96 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1v5m s THR 97 N -1.40 0.13 -0.22 -0.44 -4.23 -1.25 -2.37 115.64 105.86 1v5m s THR 97 Ca 0.15 -1.39 -0.27 0.00 -1.18 0.00 0.00 61.69 58.99 1v5m s THR 97 Cb 0.13 -1.55 0.10 0.00 1.34 0.00 0.00 72.50 72.52 1v5m s THR 97 CO 0.01 -0.61 0.89 0.72 -0.54 0.00 0.00 174.62 175.10 1v5m s PHE 98 N -3.91 -0.56 -0.18 3.99 -0.12 -1.14 -4.86 117.98 111.20 1v5m s PHE 98 Ca 0.10 1.26 -0.08 0.00 -0.05 0.00 0.00 56.93 58.15 1v5m s PHE 98 Cb 0.05 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1v5m s PHE 98 CO -0.07 -0.34 0.10 0.08 -0.05 0.00 0.00 175.22 174.94 1v5m s VAL 99 N -0.18 5.17 -0.41 -2.49 1.01 0.12 -2.40 120.40 121.22 1v5m s VAL 99 Ca -0.01 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 1v5m s VAL 99 Cb -0.03 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 33.09 1v5m s VAL 99 CO -0.01 0.48 0.25 -0.76 0.00 0.00 0.00 175.10 175.07 1v5m s LEU 100 N 0.08 5.04 -0.44 3.92 1.43 -1.05 -1.16 118.68 126.50 1v5m s LEU 100 Ca 0.08 -1.36 -0.18 0.00 -1.03 0.00 0.00 54.13 51.64 1v5m s LEU 100 Cb -0.12 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1v5m s LEU 100 CO -0.00 -0.50 0.49 -0.75 0.23 0.00 0.00 176.35 175.82 1v5m s LYS 101 N 1.47 3.12 0.78 1.70 2.20 -0.53 -1.80 119.74 126.67 1v5m s LYS 101 Ca 0.03 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.81 1v5m s LYS 101 Cb -0.22 -3.99 0.13 0.00 -1.51 0.00 0.00 37.83 32.24 1v5m s LYS 101 CO 0.03 -0.94 1.09 0.14 -0.36 0.00 0.00 175.35 175.31 1v5m s VAL 102 N 2.28 2.15 0.12 4.02 -7.23 -0.89 -1.93 120.40 118.92 1v5m s VAL 102 Ca 0.14 -0.34 0.34 0.00 -1.81 0.00 0.00 61.98 60.31 1v5m s VAL 102 Cb -0.17 -2.81 0.38 0.00 0.56 0.00 0.00 36.38 34.34 1v5m s VAL 102 CO 0.14 0.00 2.01 1.05 -0.31 0.00 0.00 175.10 177.99 1v5m h GLU 103 N -0.86 0.00 -1.02 4.82 -0.00 -0.09 -2.61 114.58 114.82 1v5m h GLU 103 Ca -0.41 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 58.65 1v5m h GLU 103 Cb 1.27 0.00 -0.18 0.00 -0.00 0.00 0.00 28.75 29.84 1v5m h GLU 103 CO 0.45 0.00 0.38 -1.71 -0.00 0.00 0.00 179.01 178.13 1v5m n ASN 104 N -2.94 3.55 -3.99 3.06 2.85 -1.26 -4.89 115.26 111.63 1v5m n ASN 104 Ca 0.00 -2.93 -0.40 0.00 -0.11 0.00 0.00 54.58 51.14 1v5m n ASN 104 Cb 0.24 -0.71 0.01 0.00 1.24 0.00 0.00 39.78 40.57 1v5m n ASN 104 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1v5m n GLY 105 N -0.42 -0.77 2.78 8.20 0.00 -0.98 -4.96 105.19 109.04 1v5m n GLY 105 Ca 0.34 0.34 -0.22 0.00 0.00 0.00 0.00 46.02 46.49 1v5m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v5m s ALA 106 N -3.62 0.61 -0.01 4.61 0.00 -1.26 -4.96 121.76 117.13 1v5m s ALA 106 Ca 0.41 -0.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.22 1v5m s ALA 106 Cb -0.20 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 1v5m s ALA 106 CO 0.94 -0.37 0.32 -1.21 0.00 0.00 0.00 175.76 175.44 1v5m s GLU 107 N 1.77 3.71 -0.34 0.00 2.02 -1.25 -2.08 118.70 122.52 1v5m s GLU 107 Ca 0.02 0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.15 1v5m s GLU 107 Cb -0.13 -3.14 0.11 0.00 0.10 0.00 0.00 34.13 31.07 1v5m s GLU 107 CO -0.04 0.68 0.12 0.71 0.02 0.00 0.00 175.26 176.75 1v5m s TYR 108 N -1.18 2.10 -0.41 1.61 1.51 -0.75 -3.32 117.35 116.92 1v5m s TYR 108 Ca 0.24 -2.09 -0.29 0.00 -1.01 0.00 0.00 57.07 53.93 1v5m s TYR 108 Cb -0.14 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1v5m s TYR 108 CO 0.13 -0.87 1.22 0.42 -1.11 0.00 0.00 175.55 175.34 1v5m s ILE 109 N 1.25 4.17 -0.01 2.71 1.01 0.12 -2.51 121.20 127.93 1v5m s ILE 109 Ca 0.12 1.24 0.04 0.00 0.00 0.00 0.00 60.65 62.05 1v5m s ILE 109 Cb -0.19 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 37.84 1v5m s ILE 109 CO -0.17 -0.78 -0.13 -0.76 0.00 0.00 0.00 174.94 173.10 1v5m s LEU 110 N 4.55 2.84 -0.05 2.97 1.02 -1.01 -1.00 118.68 128.01 1v5m s LEU 110 Ca 0.52 -0.23 0.07 0.00 0.02 0.00 0.00 54.13 54.50 1v5m s LEU 110 Cb -0.11 -1.63 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 1v5m s LEU 110 CO 0.28 0.30 -0.25 -0.70 0.02 0.00 0.00 176.35 176.00 1v5m s GLU 111 N -1.12 2.42 0.49 1.70 2.12 -0.91 -2.87 118.70 120.53 1v5m s GLU 111 Ca 0.14 -0.90 0.06 0.00 0.36 0.00 0.00 54.97 54.63 1v5m s GLU 111 Cb -0.11 -2.11 0.01 0.00 0.26 0.00 0.00 34.13 32.18 1v5m s GLU 111 CO 0.04 0.42 0.35 0.95 -0.54 0.00 0.00 175.26 176.48 1v5m s THR 112 N -0.27 2.00 0.00 -1.70 -4.23 -1.00 -3.56 115.64 106.88 1v5m s THR 112 Ca -0.00 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1v5m s THR 112 Cb -0.13 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1v5m s THR 112 CO 0.02 0.00 0.99 -0.38 -0.54 0.00 0.00 174.62 174.71 1v5m n ILE 113 N -1.62 0.00 -4.51 2.99 5.41 -1.26 -4.89 119.36 115.48 1v5m n ILE 113 Ca -0.00 1.49 -0.24 0.00 1.00 0.00 0.00 62.75 64.99 1v5m n ILE 113 Cb 0.64 -2.39 -0.10 0.00 -0.71 0.00 0.00 39.64 37.08 1v5m n ILE 113 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1v5m s ASP 114 N -2.19 2.77 0.55 4.38 2.15 -1.26 -5.02 116.67 118.05 1v5m s ASP 114 Ca 0.00 -1.49 0.25 0.00 0.43 0.00 0.00 52.55 51.74 1v5m s ASP 114 Cb 0.00 0.11 1.44 0.00 -0.30 0.00 0.00 42.92 44.18 1v5m s ASP 114 CO 0.00 -0.71 2.05 0.28 -0.17 0.00 0.00 175.17 176.62 1v5m h SER 115 N 1.92 0.00 -0.66 -0.34 0.02 -1.91 -0.71 113.55 111.87 1v5m h SER 115 Ca -0.40 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1v5m h SER 115 Cb 1.26 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 1v5m h SER 115 CO 0.67 0.00 0.28 0.17 -1.14 0.00 0.00 176.83 176.82 1v5m h LEU 116 N 0.00 0.90 -0.17 5.07 8.10 -1.96 -1.44 115.31 125.82 1v5m h LEU 116 Ca 0.16 -0.16 -0.17 0.00 0.11 0.00 0.00 57.88 57.82 1v5m h LEU 116 Cb 0.70 -0.23 0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1v5m h LEU 116 CO -0.00 0.81 -0.55 1.56 -4.11 0.00 0.00 178.44 176.16 1v5m h GLN 117 N 0.93 0.66 0.29 0.17 1.08 -1.52 -3.03 115.11 113.68 1v5m h GLN 117 Ca 0.22 -0.49 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1v5m h GLN 117 Cb 0.18 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1v5m h GLN 117 CO -0.02 1.11 -0.17 -0.22 -0.95 0.00 0.00 178.83 178.58 1v5m h LYS 118 N 0.34 -0.41 -1.33 1.46 3.11 -1.26 -1.78 116.57 116.71 1v5m h LYS 118 Ca -0.02 0.03 0.40 0.00 -2.81 0.00 0.00 60.65 58.24 1v5m h LYS 118 Cb 1.17 0.09 -0.09 0.00 -1.00 0.00 0.00 32.23 32.40 1v5m h LYS 118 CO 0.12 -0.27 0.90 1.25 -2.81 0.00 0.00 179.45 178.64 1v5m h HIS 119 N -0.42 0.33 0.13 1.91 2.76 -1.40 0.22 115.15 118.68 1v5m h HIS 119 Ca -0.04 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1v5m h HIS 119 Cb 0.34 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1v5m h HIS 119 CO 0.06 -0.06 -0.06 0.77 -1.30 0.00 0.00 177.93 177.33 1v5m h SER 120 N 0.12 -0.15 0.57 3.26 0.02 -1.33 -2.75 113.55 113.29 1v5m h SER 120 Ca 0.72 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 61.44 1v5m h SER 120 Cb 2.45 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 65.02 1v5m h SER 120 CO -0.21 0.13 -0.41 -0.50 -1.14 0.00 0.00 176.83 174.69 1v5m h TRP 121 N -0.44 -1.11 -1.07 3.45 4.06 0.28 -0.58 115.95 120.53 1v5m h TRP 121 Ca -0.02 -0.00 0.35 0.00 2.06 0.00 0.00 58.89 61.27 1v5m h TRP 121 Cb 0.35 0.41 -0.14 0.00 -1.00 0.00 0.00 29.16 28.78 1v5m h TRP 121 CO 0.01 -0.60 0.64 0.28 -3.56 0.00 0.00 178.44 175.21 1v5m h VAL 122 N -0.95 0.27 -0.12 1.49 2.07 -1.43 0.36 116.25 117.94 1v5m h VAL 122 Ca -0.07 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1v5m h VAL 122 Cb 0.79 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1v5m h VAL 122 CO 0.03 0.05 -0.33 0.00 0.02 0.00 0.00 177.57 177.34 1v5m h ALA 123 N 1.78 0.20 -0.87 1.67 0.00 -1.10 0.95 119.26 121.90 1v5m h ALA 123 Ca 0.75 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1v5m h ALA 123 Cb 1.88 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 1v5m h ALA 123 CO -0.55 0.24 0.57 -0.44 0.00 0.00 0.00 179.25 179.08 1v5m h ASP 124 N 0.01 0.94 0.02 0.00 3.32 0.12 0.48 116.42 121.31 1v5m h ASP 124 Ca -0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1v5m h ASP 124 Cb 0.94 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1v5m h ASP 124 CO 0.07 0.65 -0.01 0.40 -1.72 0.00 0.00 179.24 178.63 1v5m h ILE 125 N 1.09 0.95 -0.56 0.35 2.04 -0.92 -3.17 117.51 117.28 1v5m h ILE 125 Ca 0.34 -1.65 0.07 0.00 1.00 0.00 0.00 64.86 64.62 1v5m h ILE 125 Cb 0.01 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1v5m h ILE 125 CO -0.10 0.31 0.37 1.56 0.00 0.00 0.00 178.15 180.30 1v5m h GLN 126 N -0.98 0.48 0.00 2.37 4.20 -0.74 0.32 115.11 120.75 1v5m h GLN 126 Ca -0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1v5m h GLN 126 Cb 0.53 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1v5m h GLN 126 CO 0.00 0.32 -0.21 0.78 -0.67 0.00 0.00 178.83 179.06 1v5m h GLY 127 N 0.50 0.00 0.00 3.46 0.00 -0.15 -3.19 103.07 103.70 1v5m h GLY 127 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.36 1v5m h GLY 127 CO -0.07 0.00 -1.49 0.00 0.00 0.00 0.00 176.54 174.99 1v5m n VAL 129 N -4.41 -0.26 -4.10 0.00 3.14 0.94 -4.55 118.33 109.08 1v5m n VAL 129 Ca -0.31 1.69 -0.06 0.00 -2.96 0.00 0.00 64.34 62.70 1v5m n VAL 129 Cb 0.64 -2.77 -0.02 0.00 -1.06 0.00 0.00 33.84 30.63 1v5m n VAL 129 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1v5m n ASP 130 N -4.65 0.46 -0.03 6.55 5.68 -1.20 -5.03 116.55 118.33 1v5m n ASP 130 Ca 0.36 -1.56 -0.06 0.00 -0.50 0.00 0.00 54.79 53.03 1v5m n ASP 130 Cb 1.37 0.34 -0.02 0.00 -1.14 0.00 0.00 41.12 41.67 1v5m n ASP 130 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1v5m n SER 131 N -2.27 1.48 0.00 -1.12 2.88 -1.26 -4.74 113.62 108.60 1v5m n SER 131 Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1v5m n SER 131 Cb 0.16 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1v5m n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v5m n GLY 132 N 2.82 1.31 3.77 0.46 0.00 -1.26 -4.63 105.19 107.65 1v5m n GLY 132 Ca -0.12 0.52 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 1v5m n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5m s PRO 133 N 0.00 2.48 -0.09 1.61 0.04 -1.26 -5.07 135.00 132.70 1v5m s PRO 133 Ca 0.00 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 1v5m s PRO 133 Cb 0.00 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1v5m s PRO 133 CO 0.00 -1.48 0.26 0.45 0.04 0.00 0.00 177.00 176.27 1v5m s SER 134 N -3.05 -0.26 -0.78 6.66 0.15 -1.26 -5.11 113.70 110.05 1v5m s SER 134 Ca 0.64 0.48 -0.15 0.00 0.70 0.00 0.00 55.95 57.62 1v5m s SER 134 Cb -0.19 0.52 0.20 0.00 -1.71 0.00 0.00 66.02 64.84 1v5m s SER 134 CO 0.50 -0.12 0.75 -0.44 1.20 0.00 0.00 173.24 175.13 1v5m s SER 135 N 0.01 6.66 0.00 5.45 0.01 -1.26 -5.28 113.70 119.29 1v5m s SER 135 Ca -0.01 -2.49 0.00 0.00 1.31 0.00 0.00 55.95 54.76 1v5m s SER 135 Cb -0.02 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1v5m s SER 135 CO 0.01 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.61