#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 4.54 -0.72 1.61 0.15 -1.26 -5.06 113.70 112.96 1v5m s SER 2 Ca 0.00 -2.28 -0.20 0.00 0.70 0.00 0.00 55.95 54.17 1v5m s SER 2 Cb 0.00 -1.51 0.11 0.00 -1.71 0.00 0.00 66.02 62.91 1v5m s SER 2 CO 0.00 -0.35 0.89 -0.55 1.20 0.00 0.00 173.24 174.43 1v5m s SER 3 N 0.73 6.34 -0.30 5.45 0.15 -1.26 -4.94 113.70 119.87 1v5m s SER 3 Ca 0.12 -1.56 -0.07 0.00 0.70 0.00 0.00 55.95 55.13 1v5m s SER 3 Cb -0.20 -2.35 0.18 0.00 -1.71 0.00 0.00 66.02 61.93 1v5m s SER 3 CO -0.08 -1.15 0.80 -0.83 1.20 0.00 0.00 173.24 173.18 1v5m s GLY 4 N 3.54 -0.66 -0.32 9.45 0.00 -1.26 -5.13 107.32 112.93 1v5m s GLY 4 Ca 0.20 2.34 -0.10 0.00 0.00 0.00 0.00 44.72 47.16 1v5m s GLY 4 CO 0.02 3.49 0.17 -1.35 0.00 0.00 0.00 173.10 175.43 1v5m s SER 5 N 2.85 5.61 -0.07 1.64 1.04 -1.26 -4.92 113.70 118.59 1v5m s SER 5 Ca 0.09 -0.58 -0.05 0.00 0.48 0.00 0.00 55.95 55.89 1v5m s SER 5 Cb -0.12 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 63.95 1v5m s SER 5 CO -0.17 -0.22 -0.12 -1.54 0.98 0.00 0.00 173.24 172.17 1v5m n SER 6 N 4.99 0.80 0.00 7.02 3.41 -1.26 -5.07 113.62 123.51 1v5m n SER 6 Ca -0.13 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1v5m n SER 6 Cb 0.49 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1v5m n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v5m n GLY 7 N 2.49 0.84 3.41 5.00 0.00 -1.26 -4.78 105.19 110.88 1v5m n GLY 7 Ca -0.16 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.63 1v5m n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v5m s ASN 8 N -2.90 -0.43 0.07 1.61 2.20 -1.26 -5.15 114.94 109.09 1v5m s ASN 8 Ca 0.00 0.61 -0.30 0.00 -0.94 0.00 0.00 52.86 52.23 1v5m s ASN 8 Cb 0.00 1.43 -0.05 0.00 -2.00 0.00 0.00 41.25 40.63 1v5m s ASN 8 CO 0.00 -0.09 1.07 -0.76 -2.94 0.00 0.00 177.10 174.38 1v5m s LEU 9 N 2.12 4.41 0.37 3.54 1.43 -1.26 -5.05 118.68 124.24 1v5m s LEU 9 Ca -0.03 1.88 0.07 0.00 -1.03 0.00 0.00 54.13 55.02 1v5m s LEU 9 Cb -0.04 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1v5m s LEU 9 CO -0.16 -0.29 0.37 0.00 0.23 0.00 0.00 176.35 176.49 1v5m s ALA 10 N 0.63 4.03 0.58 4.21 0.00 -1.26 -5.14 121.76 124.81 1v5m s ALA 10 Ca 0.53 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 50.88 1v5m s ALA 10 Cb -0.26 -1.25 0.08 0.00 0.00 0.00 0.00 23.12 21.70 1v5m s ALA 10 CO 0.30 -0.09 0.69 0.00 0.00 0.00 0.00 175.76 176.66 1v5m n ALA 11 N -1.51 1.13 -1.05 0.00 0.00 -1.26 -5.00 120.51 112.82 1v5m n ALA 11 Ca 0.01 -2.15 -0.18 0.00 0.00 0.00 0.00 53.44 51.12 1v5m n ALA 11 Cb 0.60 0.68 -0.01 0.00 0.00 0.00 0.00 19.45 20.72 1v5m n ALA 11 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1v5m n LYS 12 N -2.13 1.93 -5.06 0.00 0.00 -1.26 -4.87 118.16 106.78 1v5m n LYS 12 Ca 0.11 -1.61 -0.28 0.00 -0.00 0.00 0.00 58.31 56.53 1v5m n LYS 12 Cb 0.61 -1.75 -0.16 0.00 -0.00 0.00 0.00 35.03 33.73 1v5m n LYS 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1v5m s VAL 13 N -1.79 1.71 -0.44 0.58 0.11 -1.26 -5.03 120.40 114.28 1v5m s VAL 13 Ca 0.40 -0.94 -0.02 0.00 -2.93 0.00 0.00 61.98 58.49 1v5m s VAL 13 Cb 0.27 -1.42 0.19 0.00 -1.53 0.00 0.00 36.38 33.89 1v5m s VAL 13 CO -0.07 0.47 2.32 1.21 -3.33 0.00 0.00 175.10 175.71 1v5m n GLU 14 N 2.52 2.20 -1.28 1.54 0.00 -1.26 -4.99 120.64 119.37 1v5m n GLU 14 Ca -0.15 -2.19 -0.49 0.00 0.00 0.00 0.00 57.16 54.33 1v5m n GLU 14 Cb 0.53 -1.94 -0.06 0.00 0.00 0.00 0.00 31.44 29.96 1v5m n GLU 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1v5m n LEU 15 N 0.36 -0.18 -4.70 4.31 0.00 -1.26 -4.78 117.00 110.75 1v5m n LEU 15 Ca 0.43 0.99 -0.42 0.00 0.00 0.00 0.00 56.01 57.01 1v5m n LEU 15 Cb 0.56 -0.80 -0.03 0.00 0.00 0.00 0.00 43.42 43.15 1v5m n LEU 15 CO 0.42 -1.79 1.29 -0.69 0.00 0.00 0.00 177.39 176.62 1v5m s VAL 16 N -0.14 2.86 0.17 1.96 1.01 -1.26 -4.90 120.40 120.10 1v5m s VAL 16 Ca 0.74 0.46 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 1v5m s VAL 16 Cb -1.04 -3.30 0.09 0.00 0.00 0.00 0.00 36.38 32.13 1v5m s VAL 16 CO 0.49 0.01 1.70 0.44 0.00 0.00 0.00 175.10 177.75 1v5m h ASP 17 N 7.72 -0.10 -3.42 3.32 5.19 -1.98 -3.40 116.42 123.75 1v5m h ASP 17 Ca -0.43 0.09 -0.53 0.00 -0.62 0.00 0.00 57.03 55.54 1v5m h ASP 17 Cb 1.20 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.85 1v5m h ASP 17 CO 0.92 -0.02 0.43 -0.63 -3.12 0.00 0.00 179.24 176.83 1v5m s ILE 18 N -6.17 4.42 -0.23 0.35 1.01 -1.26 -3.06 121.20 116.26 1v5m s ILE 18 Ca -0.13 1.84 -0.13 0.00 0.00 0.00 0.00 60.65 62.23 1v5m s ILE 18 Cb 0.14 -4.18 -0.17 0.00 0.01 0.00 0.00 42.46 38.27 1v5m s ILE 18 CO 0.72 0.20 -0.07 0.00 0.00 0.00 0.00 174.94 175.79 1v5m n GLN 19 N 3.42 0.61 -3.63 2.79 1.13 -0.57 -5.03 117.38 116.10 1v5m n GLN 19 Ca 0.05 0.35 -0.12 0.00 -1.94 0.00 0.00 57.00 55.34 1v5m n GLN 19 Cb 0.49 -1.60 -0.07 0.00 0.11 0.00 0.00 30.24 29.16 1v5m n GLN 19 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1v5m s ARG 20 N -2.47 0.73 -0.11 -1.09 6.06 -1.24 -5.03 118.95 115.78 1v5m s ARG 20 Ca -0.33 0.89 -0.06 0.00 -2.50 0.00 0.00 55.73 53.72 1v5m s ARG 20 Cb 0.10 0.34 0.05 0.00 0.06 0.00 0.00 34.95 35.50 1v5m s ARG 20 CO 0.57 -0.09 0.27 -2.00 -2.50 0.00 0.00 175.30 171.56 1v5m s GLU 21 N 0.42 0.25 0.34 5.12 -6.30 -1.26 0.25 118.70 117.51 1v5m s GLU 21 Ca 0.00 0.55 -0.11 0.00 -2.50 0.00 0.00 54.97 52.91 1v5m s GLU 21 Cb -0.05 -0.07 0.03 0.00 0.00 0.00 0.00 34.13 34.03 1v5m s GLU 21 CO -0.02 -0.15 0.63 0.20 0.02 0.00 0.00 175.26 175.94 1v5m s GLY 22 N 1.15 0.73 -0.44 -1.50 0.00 0.41 -5.00 107.32 102.68 1v5m s GLY 22 Ca -0.08 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.64 1v5m s GLY 22 CO -0.08 -0.57 0.22 0.00 0.00 0.00 0.00 173.10 172.67 1v5m s ALA 23 N -2.96 3.19 0.31 3.20 0.00 -1.26 -0.50 121.76 123.74 1v5m s ALA 23 Ca 0.21 -2.71 0.03 0.00 0.00 0.00 0.00 51.96 49.49 1v5m s ALA 23 Cb -0.03 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1v5m s ALA 23 CO 0.14 -1.85 0.13 -0.48 0.00 0.00 0.00 175.76 173.70 1v5m s LEU 24 N 0.80 1.77 0.26 0.00 2.34 -0.52 -4.93 118.68 118.41 1v5m s LEU 24 Ca 0.11 -1.52 -0.04 0.00 0.06 0.00 0.00 54.13 52.74 1v5m s LEU 24 Cb -0.22 0.05 -0.05 0.00 -0.56 0.00 0.00 46.19 45.41 1v5m s LEU 24 CO -0.04 -0.83 0.51 -0.13 -1.06 0.00 0.00 176.35 174.79 1v5m s ARG 25 N -3.85 3.60 -0.01 1.48 0.52 -1.24 -1.88 118.95 117.57 1v5m s ARG 25 Ca 0.34 -0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.41 1v5m s ARG 25 Cb 0.06 -2.70 -0.00 0.00 0.52 0.00 0.00 34.95 32.82 1v5m s ARG 25 CO 0.16 0.27 0.10 -0.59 0.02 0.00 0.00 175.30 175.25 1v5m s PHE 26 N -2.02 0.03 0.04 -0.53 -0.71 -0.71 -2.02 117.98 112.07 1v5m s PHE 26 Ca 0.42 -0.08 -0.06 0.00 -1.04 0.00 0.00 56.93 56.17 1v5m s PHE 26 Cb -0.11 -0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.64 1v5m s PHE 26 CO 0.30 -0.20 0.11 0.00 -1.34 0.00 0.00 175.22 174.09 1v5m s MET 27 N -0.95 0.61 -0.12 1.99 0.23 0.05 -3.01 119.30 118.11 1v5m s MET 27 Ca -0.10 -0.74 0.00 0.00 -1.03 0.00 0.00 55.69 53.82 1v5m s MET 27 Cb -0.06 0.24 -0.02 0.00 -1.53 0.00 0.00 34.83 33.47 1v5m s MET 27 CO 0.01 -0.16 -0.13 0.08 -2.03 0.00 0.00 175.02 172.79 1v5m s VAL 28 N -2.63 3.10 -0.54 5.16 1.01 -1.26 0.24 120.40 125.47 1v5m s VAL 28 Ca -0.05 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1v5m s VAL 28 Cb -0.01 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1v5m s VAL 28 CO -0.05 0.53 1.78 0.00 0.00 0.00 0.00 175.10 177.36 1v5m s ALA 29 N 0.22 2.41 -0.04 5.51 0.00 -1.16 -4.91 121.76 123.80 1v5m s ALA 29 Ca -0.08 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 1v5m s ALA 29 Cb -0.15 -4.21 0.09 0.00 0.00 0.00 0.00 23.12 18.85 1v5m s ALA 29 CO 0.05 -3.48 0.81 0.16 0.00 0.00 0.00 175.76 173.30 1v5m s ASP 30 N 7.11 -0.50 -0.58 0.00 1.47 -1.26 -4.78 116.67 118.13 1v5m s ASP 30 Ca 0.68 0.36 -0.14 0.00 1.18 0.00 0.00 52.55 54.63 1v5m s ASP 30 Cb -0.14 0.44 0.15 0.00 -0.34 0.00 0.00 42.92 43.03 1v5m s ASP 30 CO 0.24 -0.59 0.52 -1.81 0.68 0.00 0.00 175.17 174.21 1v5m s ASP 31 N -1.67 6.16 0.01 2.11 1.01 -1.26 -5.05 116.67 117.97 1v5m s ASP 31 Ca -0.03 -2.03 0.05 0.00 0.71 0.00 0.00 52.55 51.25 1v5m s ASP 31 Cb -0.00 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 1v5m s ASP 31 CO -0.00 -0.75 -0.14 0.00 0.21 0.00 0.00 175.17 174.49 1v5m s ALA 32 N 1.20 2.71 -1.69 5.23 0.00 -1.26 -4.65 121.76 123.31 1v5m s ALA 32 Ca 0.07 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.78 1v5m s ALA 32 Cb -0.25 -0.89 0.14 0.00 0.00 0.00 0.00 23.12 22.12 1v5m s ALA 32 CO -0.00 0.58 0.64 0.00 0.00 0.00 0.00 175.76 176.97 1v5m n ALA 33 N 1.76 -1.41 -0.85 0.00 0.00 -1.26 -4.88 120.51 113.87 1v5m n ALA 33 Ca -0.16 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.85 1v5m n ALA 33 Cb 0.52 -2.82 0.15 0.00 0.00 0.00 0.00 19.45 17.30 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 -3.51 3.31 0.00 0.00 1.04 -1.26 -4.98 113.70 108.29 1v5m s SER 34 Ca 0.61 2.14 0.00 0.00 0.48 0.00 0.00 55.95 59.18 1v5m s SER 34 Cb -0.34 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.22 1v5m s SER 34 CO 0.95 -2.85 0.00 0.61 0.98 0.00 0.00 173.24 172.93 1v5m n GLY 35 N -0.03 1.01 0.00 7.32 0.00 -1.26 -4.96 105.19 107.27 1v5m n GLY 35 Ca 0.12 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1v5m n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5m n PRO 36 N 0.00 0.48 -3.64 1.61 -0.04 -1.26 -4.80 135.00 127.35 1v5m n PRO 36 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1v5m n PRO 36 Cb 0.00 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.03 1v5m n PRO 36 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1v5m s GLY 37 N -1.92 -0.35 0.00 0.55 0.00 -1.26 -5.17 107.32 99.17 1v5m s GLY 37 Ca 0.19 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.67 1v5m s GLY 37 CO 0.15 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.05 1v5m n GLY 38 N -0.39 2.58 3.51 0.20 0.00 -1.26 -4.88 105.19 104.96 1v5m n GLY 38 Ca -0.06 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1v5m n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5m s THR 39 N 0.00 2.79 -0.63 2.61 -4.23 -1.26 -5.06 115.64 109.86 1v5m s THR 39 Ca 0.00 -2.06 -0.26 0.00 -1.18 0.00 0.00 61.69 58.19 1v5m s THR 39 Cb 0.00 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 1v5m s THR 39 CO 0.00 -0.26 2.07 0.00 -0.54 0.00 0.00 174.62 175.89 1v5m s ALA 40 N -2.09 1.83 -0.21 3.99 0.00 -1.26 -4.94 121.76 119.08 1v5m s ALA 40 Ca 0.27 -0.58 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 1v5m s ALA 40 Cb -0.07 -4.37 -0.04 0.00 0.00 0.00 0.00 23.12 18.64 1v5m s ALA 40 CO 0.15 -4.34 0.32 1.14 0.00 0.00 0.00 175.76 173.03 1v5m s GLN 41 N 7.54 4.15 0.81 0.00 -2.07 -1.26 -5.08 119.66 123.75 1v5m s GLN 41 Ca 0.78 0.05 -0.12 0.00 -1.82 0.00 0.00 55.36 54.26 1v5m s GLN 41 Cb -0.13 -3.53 0.08 0.00 -1.09 0.00 0.00 33.01 28.34 1v5m s GLN 41 CO 0.19 0.02 1.12 -1.58 -1.32 0.00 0.00 175.29 173.71 1v5m s TRP 42 N 1.16 2.88 -0.04 9.60 0.52 -1.26 -4.89 118.94 126.91 1v5m s TRP 42 Ca 0.15 0.97 0.01 0.00 0.02 0.00 0.00 56.10 57.25 1v5m s TRP 42 Cb -0.14 -3.25 0.02 0.00 -1.15 0.00 0.00 33.47 28.95 1v5m s TRP 42 CO 0.06 -1.80 -0.03 -0.65 0.02 0.00 0.00 176.95 174.56 1v5m s GLN 43 N -5.32 0.69 0.20 4.98 -0.21 -1.16 -4.96 119.66 113.88 1v5m s GLN 43 Ca 0.61 -0.05 -0.32 0.00 0.02 0.00 0.00 55.36 55.62 1v5m s GLN 43 Cb -0.13 -0.76 -0.11 0.00 1.00 0.00 0.00 33.01 33.00 1v5m s GLN 43 CO 0.52 -0.10 1.68 -1.59 -2.12 0.00 0.00 175.29 173.68 1v5m s LYS 44 N 0.99 4.15 0.32 2.91 -2.85 -1.26 -1.74 119.74 122.26 1v5m s LYS 44 Ca -0.10 2.54 -0.18 0.00 -1.00 0.00 0.00 55.97 57.23 1v5m s LYS 44 Cb -0.14 -3.10 0.03 0.00 -2.06 0.00 0.00 37.83 32.56 1v5m s LYS 44 CO -0.01 -0.71 0.72 0.00 0.10 0.00 0.00 175.35 175.45 1v5m s ARG 46 N -3.32 2.02 -0.39 0.00 3.52 -0.49 -1.43 118.95 118.86 1v5m s ARG 46 Ca 0.14 -1.02 -0.26 0.00 -0.13 0.00 0.00 55.73 54.46 1v5m s ARG 46 Cb -0.05 -2.60 0.02 0.00 -1.56 0.00 0.00 34.95 30.76 1v5m s ARG 46 CO 0.09 -0.50 0.94 -1.17 -0.81 0.00 0.00 175.30 173.85 1v5m s LEU 47 N 1.31 3.98 -0.13 -0.88 2.96 0.35 -2.78 118.68 123.48 1v5m s LEU 47 Ca -0.04 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.39 1v5m s LEU 47 Cb -0.18 -3.27 0.01 0.00 0.50 0.00 0.00 46.19 43.25 1v5m s LEU 47 CO -0.07 -0.92 -0.21 -0.22 -1.32 0.00 0.00 176.35 173.61 1v5m s LEU 48 N 3.58 2.17 -0.54 -0.68 2.96 -1.07 -0.44 118.68 124.66 1v5m s LEU 48 Ca 0.39 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.63 1v5m s LEU 48 Cb -0.11 -1.46 0.14 0.00 0.50 0.00 0.00 46.19 45.26 1v5m s LEU 48 CO 0.21 0.10 0.42 -0.22 -1.32 0.00 0.00 176.35 175.54 1v5m s LEU 49 N 0.68 5.79 0.16 -0.68 0.20 0.14 -2.54 118.68 122.43 1v5m s LEU 49 Ca -0.10 -2.13 0.07 0.00 0.69 0.00 0.00 54.13 52.66 1v5m s LEU 49 Cb -0.16 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 1v5m s LEU 49 CO 0.01 -0.64 -0.02 -0.13 -0.29 0.00 0.00 176.35 175.28 1v5m s ARG 50 N 1.04 2.36 0.12 1.98 0.52 -1.21 -1.51 118.95 122.24 1v5m s ARG 50 Ca 0.09 -1.08 -0.20 0.00 -0.52 0.00 0.00 55.73 54.01 1v5m s ARG 50 Cb -0.24 -2.35 -0.07 0.00 0.52 0.00 0.00 34.95 32.81 1v5m s ARG 50 CO -0.02 0.47 0.63 0.50 0.02 0.00 0.00 175.30 176.90 1v5m s ARG 51 N -2.78 4.25 0.24 3.54 3.52 -1.17 -2.22 118.95 124.33 1v5m s ARG 51 Ca 0.26 0.81 -0.06 0.00 -0.13 0.00 0.00 55.73 56.61 1v5m s ARG 51 Cb -0.10 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 30.08 1v5m s ARG 51 CO 0.18 0.57 0.52 0.00 -0.81 0.00 0.00 175.30 175.76 1v5m s ALA 52 N -1.22 3.64 0.11 6.12 0.00 -0.74 -4.88 121.76 124.79 1v5m s ALA 52 Ca 0.33 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.91 1v5m s ALA 52 Cb -0.19 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1v5m s ALA 52 CO 0.21 0.41 -0.20 0.14 0.00 0.00 0.00 175.76 176.32 1v5m s VAL 53 N -1.92 1.67 -1.51 0.00 -7.23 -1.26 -4.65 120.40 105.51 1v5m s VAL 53 Ca 0.44 -1.58 -0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1v5m s VAL 53 Cb -0.11 -1.56 0.04 0.00 0.56 0.00 0.00 36.38 35.31 1v5m s VAL 53 CO 0.26 -0.12 0.41 0.00 -0.31 0.00 0.00 175.10 175.34 1v5m n ALA 54 N 0.97 -1.85 -1.83 1.32 0.00 -1.26 -4.58 120.51 113.29 1v5m n ALA 54 Ca -0.19 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1v5m n ALA 54 Cb 0.54 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.98 -1.91 3.95 0.00 0.00 -1.26 -5.16 105.19 98.82 1v5m n GLY 55 Ca -0.23 0.81 -0.20 0.00 0.00 0.00 0.00 46.02 46.41 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 0.83 2.95 0.01 1.61 2.56 -1.26 -5.05 118.70 120.34 1v5m s GLU 56 Ca 0.00 -1.14 -0.25 0.00 0.00 0.00 0.00 54.97 53.58 1v5m s GLU 56 Cb 0.00 -2.69 -0.16 0.00 2.00 0.00 0.00 34.13 33.28 1v5m s GLU 56 CO 0.00 0.03 1.22 0.07 -0.56 0.00 0.00 175.26 176.03 1v5m h ARG 57 N 0.99 -0.47 -4.63 4.30 0.11 -1.97 -3.35 114.38 109.35 1v5m h ARG 57 Ca -0.45 0.03 -0.30 0.00 0.10 0.00 0.00 59.98 59.36 1v5m h ARG 57 Cb 1.26 0.11 -0.14 0.00 1.11 0.00 0.00 29.97 32.31 1v5m h ARG 57 CO 0.54 -0.16 -0.54 -0.06 0.10 0.00 0.00 179.97 179.85 1v5m s PHE 58 N -4.69 1.31 -0.24 4.08 0.08 -1.26 -1.79 117.98 115.46 1v5m s PHE 58 Ca -0.14 -1.44 -0.15 0.00 0.12 0.00 0.00 56.93 55.32 1v5m s PHE 58 Cb 0.02 -0.56 0.07 0.00 -0.57 0.00 0.00 43.02 41.98 1v5m s PHE 58 CO 0.53 -0.74 0.61 0.50 -0.10 0.00 0.00 175.22 176.01 1v5m s ARG 59 N -3.89 0.63 0.22 0.44 3.52 -0.94 -1.63 118.95 117.29 1v5m s ARG 59 Ca 0.39 1.07 -0.07 0.00 -0.13 0.00 0.00 55.73 56.98 1v5m s ARG 59 Cb 0.05 0.12 -0.06 0.00 -1.56 0.00 0.00 34.95 33.49 1v5m s ARG 59 CO 0.17 -0.15 0.50 -0.51 -0.81 0.00 0.00 175.30 174.51 1v5m s LEU 60 N 1.43 4.17 -0.04 -0.88 2.01 0.10 -3.32 118.68 122.16 1v5m s LEU 60 Ca -0.09 0.78 0.01 0.00 0.01 0.00 0.00 54.13 54.85 1v5m s LEU 60 Cb -0.06 -3.55 0.02 0.00 0.01 0.00 0.00 46.19 42.61 1v5m s LEU 60 CO -0.16 -0.06 -0.05 -1.61 1.01 0.00 0.00 176.35 175.48 1v5m s GLU 61 N -2.92 0.78 -0.61 1.70 2.02 -1.05 -1.62 118.70 116.99 1v5m s GLU 61 Ca 0.45 -0.12 0.01 0.00 0.02 0.00 0.00 54.97 55.33 1v5m s GLU 61 Cb -0.11 -0.78 0.15 0.00 0.10 0.00 0.00 34.13 33.49 1v5m s GLU 61 CO 0.24 -0.05 0.40 -0.06 0.02 0.00 0.00 175.26 175.81 1v5m s PHE 62 N 0.76 3.36 -0.31 1.61 0.40 -1.24 -2.59 117.98 119.98 1v5m s PHE 62 Ca -0.10 -3.00 -0.29 0.00 -0.60 0.00 0.00 56.93 52.94 1v5m s PHE 62 Cb -0.13 -3.00 -0.01 0.00 0.51 0.00 0.00 43.02 40.39 1v5m s PHE 62 CO 0.00 -0.76 1.50 -0.06 0.70 0.00 0.00 175.22 176.60 1v5m s PHE 63 N -0.42 2.30 -0.22 0.36 0.08 -1.12 -1.61 117.98 117.36 1v5m s PHE 63 Ca 0.19 0.68 -0.02 0.00 0.12 0.00 0.00 56.93 57.89 1v5m s PHE 63 Cb -0.20 -4.07 0.07 0.00 -0.57 0.00 0.00 43.02 38.25 1v5m s PHE 63 CO -0.04 -2.35 0.04 0.08 -0.10 0.00 0.00 175.22 172.86 1v5m s VAL 64 N 5.25 0.64 1.03 -0.44 1.01 -1.26 -1.40 120.40 125.23 1v5m s VAL 64 Ca 0.66 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1v5m s VAL 64 Cb -0.19 -1.20 0.21 0.00 0.00 0.00 0.00 36.38 35.19 1v5m s VAL 64 CO 0.29 -0.31 1.09 -2.16 0.00 0.00 0.00 175.10 174.01 1v5m s PRO 65 N 1.79 0.14 0.00 2.72 0.04 -1.26 -4.73 135.00 133.70 1v5m s PRO 65 Ca 0.01 0.42 0.15 0.00 0.04 0.00 0.00 61.00 61.63 1v5m s PRO 65 Cb -0.17 -1.71 0.90 0.00 0.04 0.00 0.00 34.50 33.56 1v5m s PRO 65 CO -0.12 -2.90 1.35 -0.35 0.04 0.00 0.00 177.00 175.02 1v5m n PRO 66 N -4.28 0.44 0.04 0.56 -0.04 -0.72 -2.00 135.00 129.00 1v5m n PRO 66 Ca 0.06 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1v5m n PRO 66 Cb 0.58 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1v5m n PRO 66 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1v5m n LYS 67 N -1.04 0.50 -2.00 0.54 -0.00 -1.26 -4.75 118.16 110.14 1v5m n LYS 67 Ca 0.11 -0.03 -0.41 0.00 -0.00 0.00 0.00 58.31 57.99 1v5m n LYS 67 Cb 0.06 -1.64 -0.01 0.00 -0.00 0.00 0.00 35.03 33.44 1v5m n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1v5m s ALA 68 N -3.35 3.53 0.27 0.58 0.00 -0.85 -4.92 121.76 117.03 1v5m s ALA 68 Ca -0.01 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.37 1v5m s ALA 68 Cb 0.13 -3.53 0.38 0.00 0.00 0.00 0.00 23.12 20.10 1v5m s ALA 68 CO 0.83 -0.80 1.67 0.77 0.00 0.00 0.00 175.76 178.23 1v5m h SER 69 N 3.27 0.35 -3.43 0.00 0.02 -1.92 -3.44 113.55 108.41 1v5m h SER 69 Ca -0.50 -0.15 -0.67 0.00 -0.84 0.00 0.00 61.79 59.63 1v5m h SER 69 Cb 1.23 -0.10 -0.15 0.00 0.14 0.00 0.00 62.40 63.52 1v5m h SER 69 CO 0.65 0.73 -0.66 -0.13 -1.14 0.00 0.00 176.83 176.29 1v5m s ARG 70 N -4.17 2.77 0.39 3.45 1.81 -1.26 -5.10 118.95 116.84 1v5m s ARG 70 Ca -0.05 -0.60 -0.26 0.00 -1.72 0.00 0.00 55.73 53.10 1v5m s ARG 70 Cb 0.13 -2.65 -0.09 0.00 -0.45 0.00 0.00 34.95 31.90 1v5m s ARG 70 CO 0.79 0.64 1.19 -1.25 -0.68 0.00 0.00 175.30 175.99 1v5m s PRO 71 N -1.37 4.09 -0.14 3.54 0.04 -1.26 -4.68 135.00 135.22 1v5m s PRO 71 Ca 0.18 1.91 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 1v5m s PRO 71 Cb -0.11 -2.74 -0.25 0.00 0.04 0.00 0.00 34.50 31.43 1v5m s PRO 71 CO 0.08 -0.31 0.63 -0.22 0.04 0.00 0.00 177.00 177.22 1v5m h LYS 72 N 2.75 0.08 -2.23 4.56 3.64 -1.59 -3.40 116.57 120.38 1v5m h LYS 72 Ca -0.49 -0.13 -0.60 0.00 -1.27 0.00 0.00 60.65 58.16 1v5m h LYS 72 Cb 1.23 0.05 -0.42 0.00 -0.41 0.00 0.00 32.23 32.68 1v5m h LYS 72 CO 0.63 1.06 -0.60 0.28 -2.27 0.00 0.00 179.45 178.55 1v5m n VAL 73 N -4.40 2.64 -2.24 2.00 0.31 -1.12 -5.01 118.33 110.51 1v5m n VAL 73 Ca -0.18 -5.36 -0.40 0.00 -0.01 0.00 0.00 64.34 58.39 1v5m n VAL 73 Cb 0.64 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.68 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 -2.83 5.68 -0.15 4.52 1.04 -1.26 -3.61 113.70 117.09 1v5m s SER 74 Ca 0.43 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.96 1v5m s SER 74 Cb 0.20 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 1v5m s SER 74 CO -0.06 -2.09 0.03 -0.63 0.98 0.00 0.00 173.24 171.47 1v5m s ILE 75 N 7.57 4.50 0.49 -1.02 1.01 -0.64 -4.97 121.20 128.14 1v5m s ILE 75 Ca 0.56 -0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.85 1v5m s ILE 75 Cb -0.11 -2.98 -0.07 0.00 0.01 0.00 0.00 42.46 39.31 1v5m s ILE 75 CO 0.20 0.52 1.15 -2.16 0.00 0.00 0.00 174.94 174.65 1v5m s PRO 76 N -0.05 3.63 0.60 2.79 0.04 -1.26 0.01 135.00 140.76 1v5m s PRO 76 Ca 0.05 1.71 0.38 0.00 0.04 0.00 0.00 61.00 63.18 1v5m s PRO 76 Cb -0.12 -2.27 1.90 0.00 0.04 0.00 0.00 34.50 34.05 1v5m s PRO 76 CO 0.02 -0.65 2.19 1.25 0.04 0.00 0.00 177.00 179.86 1v5m h LEU 77 N 1.77 0.00 -0.53 -3.56 7.12 -1.62 -1.92 115.31 116.57 1v5m h LEU 77 Ca -0.50 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.35 1v5m h LEU 77 Cb 1.25 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 1v5m h LEU 77 CO 0.59 0.02 -0.70 -1.28 -0.13 0.00 0.00 178.44 176.95 1v5m h SER 78 N 0.00 0.25 -0.91 1.25 0.87 -1.92 -3.16 113.55 109.94 1v5m h SER 78 Ca -0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1v5m h SER 78 Cb 0.22 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 1v5m h SER 78 CO 0.00 0.87 0.58 0.00 -0.53 0.00 0.00 176.83 177.75 1v5m h ALA 79 N 1.12 1.30 -2.51 6.23 0.00 -1.72 -3.43 119.26 120.26 1v5m h ALA 79 Ca -0.02 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.26 1v5m h ALA 79 Cb 1.24 -0.37 0.06 0.00 0.00 0.00 0.00 17.79 18.73 1v5m h ALA 79 CO 0.11 0.62 0.91 -0.89 0.00 0.00 0.00 179.25 180.00 1v5m n ILE 80 N -4.38 0.09 0.00 0.00 2.08 -1.20 0.60 119.36 116.56 1v5m n ILE 80 Ca 0.10 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.39 1v5m n ILE 80 Cb 0.04 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.13 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 3.58 0.00 -3.66 1.39 -5.35 -0.94 -4.85 119.36 109.53 1v5m n ILE 81 Ca 0.16 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.50 1v5m n ILE 81 Cb 0.33 -0.93 -0.08 0.00 -1.74 0.00 0.00 39.64 37.22 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 -1.93 0.75 -0.37 6.28 2.56 -1.16 -5.08 118.70 119.74 1v5m s GLU 82 Ca 0.00 0.88 0.04 0.00 0.00 0.00 0.00 54.97 55.89 1v5m s GLU 82 Cb 0.00 0.37 0.11 0.00 2.00 0.00 0.00 34.13 36.60 1v5m s GLU 82 CO 0.00 -0.09 0.09 0.54 -0.56 0.00 0.00 175.26 175.24 1v5m s VAL 83 N 0.32 2.39 -0.56 3.70 0.11 -1.26 -1.29 120.40 123.81 1v5m s VAL 83 Ca -0.00 -2.50 -0.28 0.00 -2.93 0.00 0.00 61.98 56.27 1v5m s VAL 83 Cb -0.04 -2.74 0.01 0.00 -1.53 0.00 0.00 36.38 32.08 1v5m s VAL 83 CO 0.01 -0.64 1.45 -0.60 -3.33 0.00 0.00 175.10 171.99 1v5m s ARG 84 N 0.71 3.25 -0.11 1.54 3.52 -0.80 -4.83 118.95 122.23 1v5m s ARG 84 Ca 0.12 0.47 0.01 0.00 -0.13 0.00 0.00 55.73 56.20 1v5m s ARG 84 Cb -0.20 -4.15 0.13 0.00 -1.56 0.00 0.00 34.95 29.17 1v5m s ARG 84 CO -0.06 -2.00 1.37 0.25 -0.81 0.00 0.00 175.30 174.05 1v5m n THR 85 N 6.88 1.67 -4.06 4.11 -2.24 -1.26 -0.97 114.28 118.40 1v5m n THR 85 Ca 0.13 -0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 1v5m n THR 85 Cb 0.49 -1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 67.60 1v5m n THR 85 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1v5m s THR 86 N -0.78 0.53 0.28 4.28 2.01 -1.26 -4.89 115.64 115.81 1v5m s THR 86 Ca 0.13 -1.05 0.12 0.00 0.31 0.00 0.00 61.69 61.19 1v5m s THR 86 Cb 0.10 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1v5m s THR 86 CO 0.02 -0.37 -0.20 -0.04 -0.69 0.00 0.00 174.62 173.34 1v5m s MET 87 N -1.53 1.67 0.00 4.92 -1.94 -1.26 -4.80 119.30 116.36 1v5m s MET 87 Ca -0.10 -1.77 0.00 0.00 -1.71 0.00 0.00 55.69 52.12 1v5m s MET 87 Cb -0.10 -1.76 0.00 0.00 2.01 0.00 0.00 34.83 34.98 1v5m s MET 87 CO 0.00 0.33 0.00 -0.35 -0.01 0.00 0.00 175.02 174.99 1v5m n PRO 88 N -0.61 0.42 -0.54 2.03 -0.04 -1.26 -4.81 135.00 130.19 1v5m n PRO 88 Ca -0.05 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.39 1v5m n PRO 88 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.03 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 4.84 -0.43 1.53 7.99 -1.26 -3.32 117.00 126.35 1v5m n LEU 89 Ca 0.00 -2.33 0.03 0.00 -0.01 0.00 0.00 56.01 53.70 1v5m n LEU 89 Cb 0.00 -1.08 0.04 0.00 -0.11 0.00 0.00 43.42 42.27 1v5m n LEU 89 CO 0.00 1.03 0.32 -0.62 -1.51 0.00 0.00 177.39 176.61 1v5m n GLU 90 N 1.73 0.32 -4.53 3.23 1.02 -1.26 -5.06 120.64 116.10 1v5m n GLU 90 Ca 0.07 -1.44 -0.22 0.00 -0.02 0.00 0.00 57.16 55.56 1v5m n GLU 90 Cb 0.53 -0.73 -0.15 0.00 -0.02 0.00 0.00 31.44 31.06 1v5m n GLU 90 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1v5m s MET 91 N -0.72 1.14 0.00 3.49 1.75 -1.21 -5.01 119.30 118.73 1v5m s MET 91 Ca 0.09 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.13 1v5m s MET 91 Cb 0.08 -1.05 0.00 0.00 2.84 0.00 0.00 34.83 36.70 1v5m s MET 91 CO 0.00 0.19 0.45 -0.35 -0.65 0.00 0.00 175.02 174.66 1v5m n PRO 92 N 3.11 0.49 -2.39 4.11 -0.04 -1.26 -4.78 135.00 134.23 1v5m n PRO 92 Ca -0.17 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.23 1v5m n PRO 92 Cb 0.54 -1.03 0.03 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.40 -1.80 -3.80 0.54 4.07 -1.26 -5.04 120.64 112.96 1v5m n GLU 93 Ca 0.00 0.35 -0.36 0.00 -0.06 0.00 0.00 57.16 57.08 1v5m n GLU 93 Cb 0.02 -3.56 -0.07 0.00 -0.06 0.00 0.00 31.44 27.77 1v5m n GLU 93 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1v5m s LYS 94 N -4.06 3.72 -0.43 5.31 -0.14 -1.26 -4.99 119.74 117.89 1v5m s LYS 94 Ca 0.09 -0.11 -0.02 0.00 -1.36 0.00 0.00 55.97 54.57 1v5m s LYS 94 Cb -0.01 -3.27 0.24 0.00 -1.68 0.00 0.00 37.83 33.11 1v5m s LYS 94 CO 0.30 0.61 2.15 -0.40 -0.76 0.00 0.00 175.35 177.25 1v5m n ASP 95 N 2.49 6.76 -0.76 2.83 5.68 -1.26 -4.03 116.55 128.27 1v5m n ASP 95 Ca -0.18 -3.26 0.04 0.00 -0.50 0.00 0.00 54.79 50.88 1v5m n ASP 95 Cb 0.54 -1.07 0.06 0.00 -1.14 0.00 0.00 41.12 39.50 1v5m n ASP 95 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1v5m n ASN 96 N 0.15 0.93 -4.16 -1.12 6.94 -1.26 -3.96 115.26 112.78 1v5m n ASN 96 Ca 0.41 -2.43 -0.12 0.00 -0.02 0.00 0.00 54.58 52.42 1v5m n ASN 96 Cb 0.58 -0.31 -0.10 0.00 -2.36 0.00 0.00 39.78 37.58 1v5m n ASN 96 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1v5m s THR 97 N -0.90 0.72 -0.15 5.53 -4.23 -1.26 -2.29 115.64 113.06 1v5m s THR 97 Ca 0.21 -1.77 -0.28 0.00 -1.18 0.00 0.00 61.69 58.67 1v5m s THR 97 Cb 0.22 -1.48 0.08 0.00 1.34 0.00 0.00 72.50 72.66 1v5m s THR 97 CO -0.06 -0.75 0.73 0.72 -0.54 0.00 0.00 174.62 174.72 1v5m s PHE 98 N -3.11 -0.68 -0.13 3.99 -0.12 -1.16 -4.79 117.98 111.98 1v5m s PHE 98 Ca 0.08 1.41 -0.05 0.00 -0.05 0.00 0.00 56.93 58.32 1v5m s PHE 98 Cb 0.02 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1v5m s PHE 98 CO -0.03 -0.49 0.04 0.08 -0.05 0.00 0.00 175.22 174.77 1v5m s VAL 99 N -0.53 4.63 -0.38 -2.49 1.01 -0.14 -2.34 120.40 120.16 1v5m s VAL 99 Ca -0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 1v5m s VAL 99 Cb -0.02 -3.01 0.07 0.00 0.00 0.00 0.00 36.38 33.42 1v5m s VAL 99 CO 0.05 0.55 0.16 -0.76 0.00 0.00 0.00 175.10 175.11 1v5m s LEU 100 N -0.42 4.74 -0.57 3.92 1.43 -1.09 -1.91 118.68 124.79 1v5m s LEU 100 Ca 0.09 -1.50 -0.19 0.00 -1.03 0.00 0.00 54.13 51.51 1v5m s LEU 100 Cb -0.12 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.33 1v5m s LEU 100 CO 0.02 -0.44 0.66 -0.75 0.23 0.00 0.00 176.35 176.07 1v5m s LYS 101 N 1.32 3.05 1.02 1.70 2.20 -0.41 -1.68 119.74 126.95 1v5m s LYS 101 Ca 0.02 -1.28 -0.17 0.00 -0.36 0.00 0.00 55.97 54.18 1v5m s LYS 101 Cb -0.21 -4.23 0.22 0.00 -1.51 0.00 0.00 37.83 32.09 1v5m s LYS 101 CO 0.00 -1.44 1.24 0.14 -0.36 0.00 0.00 175.35 174.94 1v5m s VAL 102 N 2.53 1.88 0.17 4.02 -7.23 -0.77 -2.21 120.40 118.79 1v5m s VAL 102 Ca 0.11 0.00 0.28 0.00 -1.81 0.00 0.00 61.98 60.56 1v5m s VAL 102 Cb -0.24 -2.84 0.30 0.00 0.56 0.00 0.00 36.38 34.17 1v5m s VAL 102 CO 0.07 0.00 1.92 1.05 -0.31 0.00 0.00 175.10 177.83 1v5m h GLU 103 N -1.88 0.00 -1.25 4.82 -0.00 -0.18 -2.94 114.58 113.15 1v5m h GLU 103 Ca -0.45 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 58.67 1v5m h GLU 103 Cb 1.26 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 29.89 1v5m h GLU 103 CO 0.40 0.13 0.31 -1.71 -0.00 0.00 0.00 179.01 178.13 1v5m n ASN 104 N -3.31 4.60 -4.02 3.06 2.85 -1.26 -4.87 115.26 112.31 1v5m n ASN 104 Ca -0.00 -2.80 -0.43 0.00 -0.11 0.00 0.00 54.58 51.24 1v5m n ASN 104 Cb 0.35 -0.82 0.02 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 0.11 -0.91 2.70 8.20 0.00 -1.11 -4.96 105.19 109.22 1v5m n GLY 105 Ca 0.25 0.38 -0.19 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.45 0.23 -0.11 4.61 0.00 -1.26 -4.97 121.76 116.81 1v5m s ALA 106 Ca 0.43 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 1v5m s ALA 106 Cb -0.23 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1v5m s ALA 106 CO 0.96 -0.39 0.24 -1.21 0.00 0.00 0.00 175.76 175.35 1v5m s GLU 107 N 1.89 3.84 -0.38 0.00 2.02 -1.25 -1.85 118.70 122.97 1v5m s GLU 107 Ca 0.02 0.04 0.03 0.00 0.02 0.00 0.00 54.97 55.07 1v5m s GLU 107 Cb -0.12 -3.28 0.11 0.00 0.10 0.00 0.00 34.13 30.94 1v5m s GLU 107 CO -0.03 0.57 0.12 0.71 0.02 0.00 0.00 175.26 176.65 1v5m s TYR 108 N -0.52 2.94 -0.28 1.61 1.51 -0.67 -2.97 117.35 118.97 1v5m s TYR 108 Ca 0.16 -2.65 -0.29 0.00 -1.01 0.00 0.00 57.07 53.28 1v5m s TYR 108 Cb -0.13 -2.48 0.00 0.00 -0.11 0.00 0.00 41.96 39.24 1v5m s TYR 108 CO 0.05 -0.88 1.21 0.42 -1.11 0.00 0.00 175.55 175.25 1v5m s ILE 109 N 0.80 4.31 0.05 2.71 1.01 0.14 -2.67 121.20 127.54 1v5m s ILE 109 Ca 0.13 1.51 0.06 0.00 0.00 0.00 0.00 60.65 62.35 1v5m s ILE 109 Cb -0.20 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 1v5m s ILE 109 CO -0.10 -0.41 -0.14 -0.76 0.00 0.00 0.00 174.94 173.53 1v5m s LEU 110 N 3.95 2.81 -0.21 2.97 1.02 -0.99 -0.77 118.68 127.45 1v5m s LEU 110 Ca 0.52 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 54.31 1v5m s LEU 110 Cb -0.16 -1.64 0.05 0.00 0.02 0.00 0.00 46.19 44.46 1v5m s LEU 110 CO 0.18 0.24 -0.09 -0.70 0.02 0.00 0.00 176.35 176.01 1v5m s GLU 111 N -1.60 1.98 0.64 1.70 2.12 -0.86 -3.00 118.70 119.68 1v5m s GLU 111 Ca 0.16 -0.94 -0.06 0.00 0.36 0.00 0.00 54.97 54.49 1v5m s GLU 111 Cb -0.11 -2.52 0.14 0.00 0.26 0.00 0.00 34.13 31.90 1v5m s GLU 111 CO 0.07 -0.48 0.88 0.25 -0.54 0.00 0.00 175.26 175.44 1v5m n THR 112 N 4.65 0.00 0.21 -1.70 -2.24 -0.97 -3.62 114.28 110.60 1v5m n THR 112 Ca -0.14 -0.95 -0.08 0.00 -2.27 0.00 0.00 64.05 60.61 1v5m n THR 112 Cb 0.45 -1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 67.31 1v5m n THR 112 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1v5m h ILE 113 N -1.08 0.00 -3.63 2.28 2.04 -1.91 -3.48 117.51 111.73 1v5m h ILE 113 Ca -0.29 -0.06 -0.43 0.00 1.00 0.00 0.00 64.86 65.08 1v5m h ILE 113 Cb 0.90 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.84 1v5m h ILE 113 CO 0.25 0.00 -0.56 -0.62 0.00 0.00 0.00 178.15 177.21 1v5m s ASP 114 N -3.06 1.76 0.58 1.72 2.15 -1.26 -5.03 116.67 113.54 1v5m s ASP 114 Ca -0.08 -1.54 0.28 0.00 0.43 0.00 0.00 52.55 51.65 1v5m s ASP 114 Cb 0.01 0.33 1.75 0.00 -0.30 0.00 0.00 42.92 44.72 1v5m s ASP 114 CO 0.23 -0.85 2.24 0.77 -0.17 0.00 0.00 175.17 177.39 1v5m h SER 115 N 2.16 0.00 -0.35 -0.34 4.64 -1.91 -0.89 113.55 116.85 1v5m h SER 115 Ca -0.35 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.83 1v5m h SER 115 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1v5m h SER 115 CO 0.55 0.01 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.13 1v5m h LEU 116 N 0.00 0.92 0.00 5.97 3.38 -1.96 -1.86 115.31 121.77 1v5m h LEU 116 Ca -0.00 -0.39 -0.15 0.00 0.09 0.00 0.00 57.88 57.43 1v5m h LEU 116 Cb 0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1v5m h LEU 116 CO 0.00 1.16 -0.77 1.56 0.09 0.00 0.00 178.44 180.48 1v5m h GLN 117 N 0.74 0.00 0.35 1.13 1.08 -1.68 -3.29 115.11 113.43 1v5m h GLN 117 Ca 0.08 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1v5m h GLN 117 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1v5m h GLN 117 CO 0.08 0.66 -0.17 -0.22 -0.95 0.00 0.00 178.83 178.24 1v5m h LYS 118 N 0.00 -0.45 -0.98 1.46 3.11 -1.10 -3.08 116.57 115.54 1v5m h LYS 118 Ca -0.02 0.03 0.33 0.00 -2.81 0.00 0.00 60.65 58.18 1v5m h LYS 118 Cb 1.55 0.10 -0.17 0.00 -1.00 0.00 0.00 32.23 32.72 1v5m h LYS 118 CO 0.09 -0.30 0.37 1.12 -2.81 0.00 0.00 179.45 177.91 1v5m h HIS 119 N -0.84 0.55 -0.14 1.91 2.07 -1.50 0.41 115.15 117.61 1v5m h HIS 119 Ca -0.05 0.05 0.03 0.00 -2.85 0.00 0.00 60.37 57.55 1v5m h HIS 119 Cb 0.36 -0.08 -0.03 0.00 2.57 0.00 0.00 27.41 30.23 1v5m h HIS 119 CO 0.03 -0.37 -0.05 1.03 -3.07 0.00 0.00 177.93 175.51 1v5m h SER 120 N 0.10 -0.16 0.23 3.10 0.87 -1.63 -2.50 113.55 113.56 1v5m h SER 120 Ca 0.72 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 61.32 1v5m h SER 120 Cb 1.70 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.73 1v5m h SER 120 CO -0.76 -0.06 -0.34 -0.50 -0.53 0.00 0.00 176.83 174.64 1v5m h TRP 121 N -0.02 -0.96 -1.00 2.24 4.06 -0.10 0.20 115.95 120.37 1v5m h TRP 121 Ca 0.07 0.01 0.38 0.00 2.06 0.00 0.00 58.89 61.41 1v5m h TRP 121 Cb 0.13 0.39 -0.17 0.00 -1.00 0.00 0.00 29.16 28.50 1v5m h TRP 121 CO -0.18 -0.42 0.52 0.28 -3.56 0.00 0.00 178.44 175.07 1v5m h VAL 122 N -0.60 0.10 -0.16 1.49 2.07 -1.40 0.75 116.25 118.51 1v5m h VAL 122 Ca -0.03 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 1v5m h VAL 122 Cb 0.54 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1v5m h VAL 122 CO -0.10 0.02 -0.54 0.00 0.02 0.00 0.00 177.57 176.96 1v5m h ALA 123 N 1.95 0.28 -0.96 1.67 0.00 -0.89 -0.74 119.26 120.57 1v5m h ALA 123 Ca 0.80 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1v5m h ALA 123 Cb 2.01 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 1v5m h ALA 123 CO -0.73 0.49 0.62 -0.44 0.00 0.00 0.00 179.25 179.19 1v5m h ASP 124 N 0.32 1.12 0.08 0.00 3.32 0.35 0.14 116.42 121.76 1v5m h ASP 124 Ca -0.02 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1v5m h ASP 124 Cb 1.17 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1v5m h ASP 124 CO 0.11 0.83 -0.04 0.40 -1.72 0.00 0.00 179.24 178.83 1v5m h ILE 125 N 1.31 0.00 -1.03 0.35 2.04 -0.86 -3.18 117.51 116.15 1v5m h ILE 125 Ca 0.35 -0.40 0.27 0.00 1.00 0.00 0.00 64.86 66.07 1v5m h ILE 125 Cb -0.12 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.85 1v5m h ILE 125 CO -0.07 0.00 0.63 1.56 0.00 0.00 0.00 178.15 180.27 1v5m h GLN 126 N -0.51 0.46 -0.92 2.37 4.20 -1.19 0.23 115.11 119.74 1v5m h GLN 126 Ca -0.01 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1v5m h GLN 126 Cb 0.08 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 1v5m h GLN 126 CO 0.02 0.31 0.60 0.78 -0.67 0.00 0.00 178.83 179.86 1v5m h GLY 127 N 0.48 1.33 0.71 3.46 0.00 -0.83 -2.95 103.07 105.27 1v5m h GLY 127 Ca 0.64 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 47.36 1v5m h GLY 127 CO -0.42 0.40 -0.59 0.00 0.00 0.00 0.00 176.54 175.94 1v5m n VAL 129 N -4.24 -0.29 -3.64 0.00 0.31 -0.15 -4.45 118.33 105.86 1v5m n VAL 129 Ca -0.11 1.53 -0.03 0.00 -0.01 0.00 0.00 64.34 65.72 1v5m n VAL 129 Cb 0.68 -2.17 -0.07 0.00 -0.91 0.00 0.00 33.84 31.37 1v5m n VAL 129 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1v5m s ASP 130 N -5.09 -0.54 -0.56 4.52 1.01 -1.22 -5.00 116.67 109.80 1v5m s ASP 130 Ca -0.10 0.87 -0.17 0.00 0.71 0.00 0.00 52.55 53.86 1v5m s ASP 130 Cb 0.19 1.20 -0.12 0.00 1.01 0.00 0.00 42.92 45.20 1v5m s ASP 130 CO 0.53 -0.14 1.49 -0.24 0.21 0.00 0.00 175.17 177.02 1v5m n SER 131 N 3.66 0.13 -0.35 0.27 2.88 -1.26 -4.77 113.62 114.17 1v5m n SER 131 Ca -0.18 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1v5m n SER 131 Cb 0.58 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 3.59 3.87 0.00 0.46 0.00 -1.26 -4.97 105.19 106.88 1v5m n GLY 132 Ca 0.37 -2.06 0.05 0.00 0.00 0.00 0.00 46.02 44.38 1v5m n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5m n PRO 133 N -0.11 0.49 -0.18 1.61 -0.04 -1.26 -4.20 135.00 131.31 1v5m n PRO 133 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1v5m n PRO 133 Cb 0.00 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 1v5m n PRO 133 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v5m n SER 134 N -0.85 -0.45 -4.79 3.54 7.64 -1.26 -4.21 113.62 113.25 1v5m n SER 134 Ca 0.08 1.01 -0.36 0.00 1.01 0.00 0.00 58.87 60.61 1v5m n SER 134 Cb 0.04 -0.22 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 1v5m n SER 134 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v5m s SER 135 N -4.46 5.87 0.00 6.43 1.04 -1.26 -5.21 113.70 116.12 1v5m s SER 135 Ca -0.05 0.32 0.19 0.00 0.48 0.00 0.00 55.95 56.89 1v5m s SER 135 Cb 0.05 -1.81 0.15 0.00 0.10 0.00 0.00 66.02 64.51 1v5m s SER 135 CO 0.26 0.39 1.11 0.61 0.98 0.00 0.00 173.24 176.59