#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v95 n SER 2 N 0.00 -3.56 0.16 1.61 7.64 -1.26 -5.06 113.62 113.16 1v95 n SER 2 Ca 0.00 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1v95 n SER 2 Cb 0.00 3.38 0.00 0.00 -1.01 0.00 0.00 64.21 66.58 1v95 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v95 n SER 3 N -3.32 -1.59 -1.15 6.43 7.64 -1.26 -5.14 113.62 115.24 1v95 n SER 3 Ca 0.00 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1v95 n SER 3 Cb 0.00 1.62 0.00 0.00 -1.01 0.00 0.00 64.21 64.82 1v95 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v95 n GLY 4 N 0.35 -2.20 0.06 0.23 0.00 -1.26 -5.04 105.19 97.34 1v95 n GLY 4 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 1v95 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1v95 h SER 5 N 0.00 0.00 0.00 1.61 0.87 -2.00 -3.49 113.55 110.54 1v95 h SER 5 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1v95 h SER 5 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1v95 h SER 5 CO 0.00 0.72 0.00 -1.20 -0.53 0.00 0.00 176.83 175.82 1v95 n SER 6 N -4.69 -0.67 0.00 6.23 7.64 -1.26 -5.17 113.62 115.70 1v95 n SER 6 Ca -0.06 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1v95 n SER 6 Cb 0.19 0.92 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 1v95 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v95 n GLY 7 N -1.11 -1.78 3.75 0.23 0.00 -1.26 -4.91 105.19 100.11 1v95 n GLY 7 Ca 0.00 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1v95 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v95 s PRO 8 N 0.00 4.64 -0.34 1.61 0.04 -1.26 -4.98 135.00 134.70 1v95 s PRO 8 Ca 0.00 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1v95 s PRO 8 Cb 0.00 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 1v95 s PRO 8 CO 0.00 0.18 0.22 0.08 0.04 0.00 0.00 177.00 177.52 1v95 s VAL 9 N -0.83 5.04 0.29 -0.36 1.01 -1.26 -4.91 120.40 119.38 1v95 s VAL 9 Ca 0.46 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1v95 s VAL 9 Cb -0.31 -3.63 0.33 0.00 0.00 0.00 0.00 36.38 32.77 1v95 s VAL 9 CO 0.38 -0.05 1.62 0.44 0.00 0.00 0.00 175.10 177.50 1v95 h ASP 10 N 8.47 -0.12 -2.25 3.32 5.19 -1.46 -3.33 116.42 126.24 1v95 h ASP 10 Ca -0.30 0.22 -0.34 0.00 -0.62 0.00 0.00 57.03 55.98 1v95 h ASP 10 Cb 1.15 0.32 -0.34 0.00 0.18 0.00 0.00 39.33 40.64 1v95 h ASP 10 CO 0.64 -0.22 -0.64 0.00 -3.12 0.00 0.00 179.24 175.90 1v95 s SER 12 N 2.34 7.11 -0.21 0.00 0.01 -0.33 -3.35 113.70 119.27 1v95 s SER 12 Ca 0.09 1.31 -0.13 0.00 1.31 0.00 0.00 55.95 58.54 1v95 s SER 12 Cb -0.14 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 1v95 s SER 12 CO -0.30 0.18 0.25 -0.69 0.41 0.00 0.00 173.24 173.09 1v95 s VAL 13 N -0.72 5.31 -0.30 3.43 1.01 0.76 0.26 120.40 130.15 1v95 s VAL 13 Ca 0.32 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 1v95 s VAL 13 Cb -0.20 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1v95 s VAL 13 CO 0.20 0.34 0.16 -0.63 0.00 0.00 0.00 175.10 175.17 1v95 s ILE 14 N 0.93 4.77 -0.31 2.22 -1.09 0.43 -0.76 121.20 127.39 1v95 s ILE 14 Ca 0.13 -0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1v95 s ILE 14 Cb -0.13 -3.39 0.10 0.00 -1.58 0.00 0.00 42.46 37.46 1v95 s ILE 14 CO 0.04 0.11 0.10 0.54 -1.23 0.00 0.00 174.94 174.51 1v95 s VAL 15 N 1.65 0.86 0.08 2.92 0.11 -0.52 0.84 120.40 126.34 1v95 s VAL 15 Ca 0.05 -1.40 -0.17 0.00 -2.93 0.00 0.00 61.98 57.54 1v95 s VAL 15 Cb -0.17 -1.66 -0.11 0.00 -1.53 0.00 0.00 36.38 32.91 1v95 s VAL 15 CO 0.07 -0.68 1.39 -0.37 -3.33 0.00 0.00 175.10 172.18 1v95 h VAL 16 N 6.48 1.32 -4.38 2.04 -1.51 -1.77 -2.76 116.25 115.66 1v95 h VAL 16 Ca -0.14 -1.42 -0.47 0.00 -1.23 0.00 0.00 66.70 63.45 1v95 h VAL 16 Cb 1.01 1.71 0.12 0.00 -2.13 0.00 0.00 31.29 32.00 1v95 h VAL 16 CO 0.47 0.44 0.34 0.21 -1.23 0.00 0.00 177.57 177.81 1v95 s ASN 17 N -6.41 3.98 -0.22 4.19 3.84 -1.26 -3.69 114.94 115.37 1v95 s ASN 17 Ca -0.13 0.93 -0.05 0.00 0.21 0.00 0.00 52.86 53.82 1v95 s ASN 17 Cb 0.07 -1.49 -0.11 0.00 -0.55 0.00 0.00 41.25 39.16 1v95 s ASN 17 CO 0.80 -2.25 -0.24 0.29 -2.79 0.00 0.00 177.10 172.92 1v95 n LYS 18 N -3.57 0.49 -0.36 0.43 4.76 -1.26 -4.46 118.16 114.20 1v95 n LYS 18 Ca 0.07 0.16 0.34 0.00 -2.87 0.00 0.00 58.31 56.01 1v95 n LYS 18 Cb 0.60 -1.35 0.61 0.00 -1.84 0.00 0.00 35.03 33.05 1v95 n LYS 18 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1v95 h GLN 19 N -0.41 0.01 -1.98 1.97 5.75 -1.99 0.56 115.11 119.02 1v95 h GLN 19 Ca -0.52 -0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 57.65 1v95 h GLN 19 Cb 1.60 -0.00 -0.12 0.00 1.07 0.00 0.00 27.48 30.03 1v95 h GLN 19 CO -0.21 0.00 0.02 0.25 -2.65 0.00 0.00 178.83 176.24 1v95 n THR 20 N -5.13 3.11 0.04 2.39 -2.24 -1.26 -4.22 114.28 106.96 1v95 n THR 20 Ca 0.38 -2.17 -0.22 0.00 -2.27 0.00 0.00 64.05 59.77 1v95 n THR 20 Cb 1.35 -1.77 -0.14 0.00 -2.10 0.00 0.00 70.33 67.67 1v95 n THR 20 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1v95 h LYS 21 N 2.87 0.34 0.00 -0.78 3.64 -0.15 -3.12 116.57 119.37 1v95 h LYS 21 Ca 0.28 -0.58 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1v95 h LYS 21 Cb 1.11 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1v95 h LYS 21 CO 0.54 1.28 -0.11 -0.44 -2.27 0.00 0.00 179.45 178.45 1v95 h ASP 22 N 0.03 0.00 -0.89 4.20 5.19 -1.82 -1.94 116.42 121.18 1v95 h ASP 22 Ca -0.36 -0.52 0.20 0.00 -0.62 0.00 0.00 57.03 55.73 1v95 h ASP 22 Cb 2.03 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 41.42 1v95 h ASP 22 CO 0.13 0.82 0.41 0.22 -3.12 0.00 0.00 179.24 177.71 1v95 h TYR 23 N -1.00 0.69 -0.03 4.55 5.03 -1.84 0.48 116.97 124.85 1v95 h TYR 23 Ca -0.02 0.04 -0.18 0.00 2.58 0.00 0.00 58.73 61.14 1v95 h TYR 23 Cb 0.60 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 1v95 h TYR 23 CO 0.13 0.01 -0.78 0.00 -1.32 0.00 0.00 178.16 176.20 1v95 h ALA 24 N 1.68 0.61 0.00 1.82 0.00 -1.66 -2.78 119.26 118.93 1v95 h ALA 24 Ca 0.54 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1v95 h ALA 24 Cb 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1v95 h ALA 24 CO -0.49 0.84 0.00 0.39 0.00 0.00 0.00 179.25 179.99 1v95 n GLU 25 N -3.75 0.13 -0.02 0.00 1.02 0.16 -1.82 120.64 116.36 1v95 n GLU 25 Ca -0.04 0.62 -0.01 0.00 -0.02 0.00 0.00 57.16 57.71 1v95 n GLU 25 Cb 0.74 -1.92 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1v95 n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1v95 n SER 26 N -2.20 0.50 -0.54 1.62 2.88 -0.73 -3.11 113.62 112.05 1v95 n SER 26 Ca -0.01 0.32 0.43 0.00 -1.33 0.00 0.00 58.87 58.28 1v95 n SER 26 Cb 0.04 -0.60 0.71 0.00 -0.75 0.00 0.00 64.21 63.61 1v95 n SER 26 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1v95 n VAL 27 N -2.91 -0.17 -0.03 2.46 3.14 -1.15 0.19 118.33 119.86 1v95 n VAL 27 Ca -0.02 1.67 -0.14 0.00 -2.96 0.00 0.00 64.34 62.89 1v95 n VAL 27 Cb 0.08 -2.75 -0.10 0.00 -1.06 0.00 0.00 33.84 30.01 1v95 n VAL 27 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1v95 h GLY 28 N 0.00 0.11 2.00 7.55 0.00 -1.53 -3.03 103.07 108.16 1v95 h GLY 28 Ca 0.88 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 48.00 1v95 h GLY 28 CO -0.32 0.13 -0.34 0.07 0.00 0.00 0.00 176.54 176.08 1v95 h ARG 29 N -0.48 0.00 -0.64 4.80 0.11 0.22 -2.59 114.38 115.80 1v95 h ARG 29 Ca -0.00 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.10 1v95 h ARG 29 Cb 0.71 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.75 1v95 h ARG 29 CO 0.02 0.34 0.40 0.87 0.10 0.00 0.00 179.97 181.70 1v95 h LYS 30 N 0.00 0.77 0.00 0.08 1.79 0.94 0.15 116.57 120.30 1v95 h LYS 30 Ca -0.00 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 1v95 h LYS 30 Cb 0.61 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1v95 h LYS 30 CO 0.04 0.51 -0.24 0.28 -1.08 0.00 0.00 179.45 178.97 1v95 h VAL 31 N 0.80 0.72 -0.01 0.50 2.07 -1.34 -2.30 116.25 116.68 1v95 h VAL 31 Ca 0.25 -1.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.60 1v95 h VAL 31 Cb 0.00 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1v95 h VAL 31 CO -0.10 0.23 -0.80 0.03 0.02 0.00 0.00 177.57 176.96 1v95 h ARG 32 N 0.00 0.17 0.00 1.57 3.08 -0.66 -2.58 114.38 115.97 1v95 h ARG 32 Ca -0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1v95 h ARG 32 Cb 0.61 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1v95 h ARG 32 CO 0.03 0.88 0.00 0.22 -1.07 0.00 0.00 179.97 180.03 1v95 h ASP 33 N 0.10 0.00 0.63 7.04 3.58 -0.21 0.56 116.42 128.12 1v95 h ASP 33 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1v95 h ASP 33 Cb 1.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1v95 h ASP 33 CO 0.12 0.00 -0.62 0.18 -2.88 0.00 0.00 179.24 176.04 1v95 n LEU 34 N -2.78 0.59 0.00 2.28 4.77 -1.07 -4.93 117.00 115.86 1v95 n LEU 34 Ca -0.02 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1v95 n LEU 34 Cb 0.09 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1v95 n LEU 34 CO 0.18 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1v95 n GLY 35 N 1.42 1.48 3.46 -0.72 0.00 0.20 -5.09 105.19 105.93 1v95 n GLY 35 Ca 0.04 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1v95 n GLY 35 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1v95 s MET 36 N -1.00 3.20 0.08 1.61 1.00 -0.99 -5.01 119.30 118.19 1v95 s MET 36 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 55.69 54.77 1v95 s MET 36 Cb 0.00 -2.66 -0.08 0.00 0.00 0.00 0.00 34.83 32.09 1v95 s MET 36 CO 0.00 0.37 1.58 0.08 0.00 0.00 0.00 175.02 177.06 1v95 s VAL 37 N -0.04 3.06 0.04 -6.03 1.01 -1.26 -3.45 120.40 113.73 1v95 s VAL 37 Ca -0.01 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1v95 s VAL 37 Cb -0.14 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1v95 s VAL 37 CO 0.03 0.01 -0.09 -0.69 0.00 0.00 0.00 175.10 174.37 1v95 s VAL 38 N 2.19 0.64 0.21 2.92 1.01 -1.26 -0.42 120.40 125.70 1v95 s VAL 38 Ca 0.71 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1v95 s VAL 38 Cb -0.39 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1v95 s VAL 38 CO 0.31 -0.27 0.08 -0.62 0.00 0.00 0.00 175.10 174.60 1v95 s ASP 39 N -1.40 0.73 -0.13 3.32 2.15 -1.21 -4.99 116.67 115.14 1v95 s ASP 39 Ca -0.07 -1.32 0.02 0.00 0.43 0.00 0.00 52.55 51.61 1v95 s ASP 39 Cb -0.09 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 1v95 s ASP 39 CO 0.01 -0.74 -0.21 -0.76 -0.17 0.00 0.00 175.17 173.30 1v95 s LEU 40 N -3.20 2.20 -0.31 -1.34 1.02 -1.26 -0.17 118.68 115.62 1v95 s LEU 40 Ca 0.34 -0.56 -0.06 0.00 0.02 0.00 0.00 54.13 53.87 1v95 s LEU 40 Cb 0.07 -1.47 0.03 0.00 0.02 0.00 0.00 46.19 44.84 1v95 s LEU 40 CO 0.10 0.10 0.08 -0.63 0.02 0.00 0.00 176.35 176.01 1v95 s ILE 41 N 0.70 3.73 -0.24 -0.59 1.01 0.06 -4.97 121.20 120.89 1v95 s ILE 41 Ca -0.09 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 1v95 s ILE 41 Cb -0.16 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 1v95 s ILE 41 CO 0.01 -0.05 0.19 -0.36 0.00 0.00 0.00 174.94 174.72 1v95 s PHE 42 N 1.42 3.30 -0.61 3.97 0.08 -1.26 -1.44 117.98 123.45 1v95 s PHE 42 Ca -0.00 0.24 0.05 0.00 0.12 0.00 0.00 56.93 57.34 1v95 s PHE 42 Cb -0.18 -2.31 0.34 0.00 -0.57 0.00 0.00 43.02 40.30 1v95 s PHE 42 CO 0.02 0.02 1.02 1.28 -0.10 0.00 0.00 175.22 177.46 1v95 n LEU 43 N 4.44 4.72 -4.56 -0.37 4.77 -1.04 -4.98 117.00 119.98 1v95 n LEU 43 Ca -0.14 -5.65 -0.23 0.00 -0.03 0.00 0.00 56.01 49.96 1v95 n LEU 43 Cb 0.52 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1v95 n LEU 43 CO 0.35 2.33 1.40 0.21 -1.33 0.00 0.00 177.39 180.35 1v95 s ASN 44 N -3.33 4.50 -1.50 -1.43 2.47 -1.24 -2.92 114.94 111.50 1v95 s ASN 44 Ca 0.48 -0.03 -0.11 0.00 0.42 0.00 0.00 52.86 53.62 1v95 s ASN 44 Cb 0.28 -2.54 0.07 0.00 -1.45 0.00 0.00 41.25 37.60 1v95 s ASN 44 CO -0.14 -3.24 0.88 0.41 -3.72 0.00 0.00 177.10 171.29 1v95 n THR 45 N 8.24 -2.49 -3.83 -5.21 -1.04 -1.26 -4.97 114.28 103.72 1v95 n THR 45 Ca 0.41 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.05 62.14 1v95 n THR 45 Cb 0.47 -2.92 -0.15 0.00 -1.82 0.00 0.00 70.33 65.90 1v95 n THR 45 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1v95 s GLU 46 N -6.52 0.03 1.44 -2.82 8.01 -1.15 -5.10 118.70 112.59 1v95 s GLU 46 Ca 0.50 0.11 0.00 0.00 0.01 0.00 0.00 54.97 55.59 1v95 s GLU 46 Cb -0.25 -0.22 0.00 0.00 -4.31 0.00 0.00 34.13 29.35 1v95 s GLU 46 CO 0.84 -0.11 0.00 1.33 0.01 0.00 0.00 175.26 177.33 1v95 n VAL 47 N 3.84 0.00 -4.34 2.63 0.24 -1.26 -4.73 118.33 114.71 1v95 n VAL 47 Ca -0.23 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.86 1v95 n VAL 47 Cb 0.53 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 1v95 n VAL 47 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1v95 n SER 48 N -3.57 -0.09 0.43 -1.34 7.64 -1.26 -5.05 113.62 110.38 1v95 n SER 48 Ca 0.00 -3.10 -0.18 0.00 1.01 0.00 0.00 58.87 56.60 1v95 n SER 48 Cb 0.00 1.41 -0.09 0.00 -1.01 0.00 0.00 64.21 64.53 1v95 n SER 48 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1v95 h LEU 49 N 0.00 -0.92 -0.83 -3.43 6.46 -1.99 -3.07 115.31 111.53 1v95 h LEU 49 Ca -0.25 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.66 1v95 h LEU 49 Cb 1.16 0.24 -0.14 0.00 -0.73 0.00 0.00 40.66 41.19 1v95 h LEU 49 CO 0.38 -0.60 -0.40 0.28 -0.62 0.00 0.00 178.44 177.47 1v95 h SER 50 N -1.19 -1.45 -1.25 1.25 0.02 -1.97 1.25 113.55 110.21 1v95 h SER 50 Ca -0.11 0.28 0.43 0.00 -0.84 0.00 0.00 61.79 61.55 1v95 h SER 50 Cb 0.84 0.72 -0.14 0.00 0.14 0.00 0.00 62.40 63.96 1v95 h SER 50 CO 0.18 -0.29 0.78 1.56 -1.14 0.00 0.00 176.83 177.92 1v95 h GLN 51 N -0.08 0.08 0.22 3.45 7.50 -1.95 1.60 115.11 125.93 1v95 h GLN 51 Ca 0.28 -0.00 -0.30 0.00 0.50 0.00 0.00 58.65 59.12 1v95 h GLN 51 Cb 0.56 -0.02 0.03 0.00 0.05 0.00 0.00 27.48 28.11 1v95 h GLN 51 CO -0.86 0.05 -1.36 0.00 -1.50 0.00 0.00 178.83 175.16 1v95 h ALA 52 N 1.69 -0.11 -0.85 3.87 0.00 0.15 -3.05 119.26 120.97 1v95 h ALA 52 Ca 0.83 -0.86 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1v95 h ALA 52 Cb 2.49 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 20.43 1v95 h ALA 52 CO -0.50 0.66 0.56 -0.07 0.00 0.00 0.00 179.25 179.90 1v95 h LEU 53 N 0.01 0.92 -0.73 0.00 3.38 0.46 0.64 115.31 120.00 1v95 h LEU 53 Ca -0.24 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1v95 h LEU 53 Cb 2.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 1v95 h LEU 53 CO 0.23 0.64 0.19 -0.08 0.09 0.00 0.00 178.44 179.52 1v95 h GLU 54 N 1.07 1.15 0.00 1.13 4.81 0.95 -1.98 114.58 121.72 1v95 h GLU 54 Ca 0.33 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1v95 h GLU 54 Cb -0.01 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1v95 h GLU 54 CO -0.09 1.00 -0.45 0.22 -0.73 0.00 0.00 179.01 178.97 1v95 h ASP 55 N 1.10 0.00 0.30 1.04 1.82 -1.12 -2.14 116.42 117.42 1v95 h ASP 55 Ca 0.23 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.86 1v95 h ASP 55 Cb 0.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1v95 h ASP 55 CO -0.00 0.45 -0.15 0.58 -1.61 0.00 0.00 179.24 178.51 1v95 h VAL 56 N 0.00 0.73 0.56 2.25 2.07 0.94 0.65 116.25 123.44 1v95 h VAL 56 Ca -0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1v95 h VAL 56 Cb 1.16 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1v95 h VAL 56 CO 0.06 0.05 -0.27 -1.28 0.02 0.00 0.00 177.57 176.15 1v95 h SER 57 N -0.53 -0.63 -1.01 0.57 0.87 -1.41 0.31 113.55 111.72 1v95 h SER 57 Ca -0.04 0.02 0.26 0.00 -1.23 0.00 0.00 61.79 60.80 1v95 h SER 57 Cb 0.39 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 1v95 h SER 57 CO 0.07 -0.32 0.68 0.08 -0.53 0.00 0.00 176.83 176.80 1v95 h ARG 58 N -1.01 0.27 -0.01 2.24 0.11 -1.46 0.87 114.38 115.39 1v95 h ARG 58 Ca -0.08 -0.02 -0.12 0.00 0.10 0.00 0.00 59.98 59.87 1v95 h ARG 58 Cb 0.57 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.57 1v95 h ARG 58 CO 0.13 0.18 -0.56 0.78 0.10 0.00 0.00 179.97 180.59 1v95 h GLY 59 N 0.28 0.03 0.00 0.08 0.00 0.43 -3.47 103.07 100.42 1v95 h GLY 59 Ca 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1v95 h GLY 59 CO -0.18 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.00 1v95 n GLY 60 N 0.10 0.82 3.30 4.60 0.00 0.30 -4.22 105.19 110.09 1v95 n GLY 60 Ca -0.01 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.44 1v95 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v95 n SER 61 N 0.00 0.87 0.05 1.61 7.64 0.95 -4.78 113.62 119.95 1v95 n SER 61 Ca 0.00 0.60 -0.15 0.00 1.01 0.00 0.00 58.87 60.33 1v95 n SER 61 Cb 0.00 -0.95 -0.04 0.00 -1.01 0.00 0.00 64.21 62.21 1v95 n SER 61 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1v95 h PRO 62 N 9.72 0.52 -5.99 1.43 0.13 -1.68 -3.36 132.00 132.77 1v95 h PRO 62 Ca -0.11 -0.51 -0.68 0.00 -0.87 0.00 0.00 66.00 63.82 1v95 h PRO 62 Cb 1.40 0.13 -0.27 0.00 0.13 0.00 0.00 31.00 32.39 1v95 h PRO 62 CO 1.11 1.14 -0.82 -0.06 -0.23 0.00 0.00 178.00 179.15 1v95 s PHE 63 N -3.42 2.61 -0.10 1.56 0.08 -1.08 0.19 117.98 117.82 1v95 s PHE 63 Ca -0.07 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.49 1v95 s PHE 63 Cb 0.09 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 1v95 s PHE 63 CO 0.88 -0.07 -0.09 0.00 -0.10 0.00 0.00 175.22 175.84 1v95 s ALA 64 N -0.26 1.32 -0.06 5.36 0.00 -0.88 -1.18 121.76 126.06 1v95 s ALA 64 Ca 0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 1v95 s ALA 64 Cb -0.13 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 1v95 s ALA 64 CO 0.03 -0.23 0.34 0.42 0.00 0.00 0.00 175.76 176.31 1v95 s ILE 65 N 1.34 5.18 -0.17 0.00 1.01 0.14 -1.60 121.20 127.09 1v95 s ILE 65 Ca -0.02 0.67 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 1v95 s ILE 65 Cb -0.14 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1v95 s ILE 65 CO -0.04 0.54 0.04 0.54 0.00 0.00 0.00 174.94 176.02 1v95 s VAL 66 N -0.73 4.60 0.11 2.92 0.11 -0.83 0.16 120.40 126.75 1v95 s VAL 66 Ca 0.21 -0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 1v95 s VAL 66 Cb -0.15 -3.06 -0.03 0.00 -1.53 0.00 0.00 36.38 31.60 1v95 s VAL 66 CO 0.10 0.47 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.53 1v95 s ILE 67 N 0.34 1.53 -0.17 7.04 -1.09 0.25 -3.16 121.20 125.93 1v95 s ILE 67 Ca 0.02 -1.56 -0.35 0.00 -2.23 0.00 0.00 60.65 56.53 1v95 s ILE 67 Cb -0.13 -1.47 0.14 0.00 -1.58 0.00 0.00 42.46 39.42 1v95 s ILE 67 CO 0.01 -0.18 1.24 0.28 -1.23 0.00 0.00 174.94 175.06 1v95 s THR 68 N -1.44 0.00 0.07 2.92 -1.32 -1.26 -4.01 115.64 110.60 1v95 s THR 68 Ca 0.06 -0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 60.36 1v95 s THR 68 Cb -0.09 -1.16 -0.03 0.00 -1.51 0.00 0.00 72.50 69.71 1v95 s THR 68 CO 0.04 0.00 1.17 0.00 -2.21 0.00 0.00 174.62 173.62 1v95 n GLN 69 N -0.15 -0.20 -0.05 7.08 6.02 -1.26 -0.30 117.38 128.52 1v95 n GLN 69 Ca -0.00 1.16 -0.14 0.00 -0.01 0.00 0.00 57.00 58.01 1v95 n GLN 69 Cb 0.59 -1.72 -0.09 0.00 1.02 0.00 0.00 30.24 30.04 1v95 n GLN 69 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1v95 h GLN 70 N 0.00 -0.47 -1.58 -1.09 4.20 -1.98 0.53 115.11 114.73 1v95 h GLN 70 Ca 0.07 0.03 0.47 0.00 0.06 0.00 0.00 58.65 59.28 1v95 h GLN 70 Cb 0.19 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.99 1v95 h GLN 70 CO -0.43 -0.31 1.11 0.45 -0.67 0.00 0.00 178.83 178.97 1v95 h HIS 71 N -0.48 0.15 -0.10 2.96 3.86 -1.29 1.16 115.15 121.41 1v95 h HIS 71 Ca 0.04 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1v95 h HIS 71 Cb 0.60 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 1v95 h HIS 71 CO -0.62 -0.05 0.03 0.37 0.86 0.00 0.00 177.93 178.52 1v95 h GLN 72 N 0.04 0.15 0.36 2.45 4.15 0.31 1.28 115.11 123.84 1v95 h GLN 72 Ca 0.80 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 60.17 1v95 h GLN 72 Cb 3.00 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 30.67 1v95 h GLN 72 CO -0.12 0.28 -0.17 0.82 -1.93 0.00 0.00 178.83 177.71 1v95 h ILE 73 N -0.02 0.00 -0.05 2.39 2.04 0.18 -2.45 117.51 119.59 1v95 h ILE 73 Ca 0.03 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1v95 h ILE 73 Cb 0.19 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1v95 h ILE 73 CO -0.00 0.00 0.12 0.45 0.00 0.00 0.00 178.15 178.72 1v95 h HIS 74 N -0.49 0.00 -5.03 1.37 3.86 -1.41 -3.45 115.15 110.00 1v95 h HIS 74 Ca -0.05 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.84 1v95 h HIS 74 Cb 0.37 0.00 0.12 0.00 1.06 0.00 0.00 27.41 28.96 1v95 h HIS 74 CO 0.14 0.00 -0.58 0.54 0.86 0.00 0.00 177.93 178.89 1v95 n ARG 75 N -3.38 -6.39 -4.04 2.45 1.74 0.42 -5.01 116.66 102.44 1v95 n ARG 75 Ca -0.01 0.69 -0.13 0.00 -0.77 0.00 0.00 57.85 57.63 1v95 n ARG 75 Cb 0.20 -5.31 -0.13 0.00 -1.02 0.00 0.00 32.46 26.20 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1v95 s SER 76 N -3.46 0.46 0.47 0.55 1.04 -0.01 -4.25 113.70 108.50 1v95 s SER 76 Ca 0.38 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.63 1v95 s SER 76 Cb -0.17 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1v95 s SER 76 CO 0.61 -0.06 0.04 0.00 0.98 0.00 0.00 173.24 174.81 1v95 s THR 78 N -2.79 2.94 -0.43 0.00 2.01 -1.19 -3.20 115.64 112.97 1v95 s THR 78 Ca 0.20 -1.21 -0.22 0.00 0.31 0.00 0.00 61.69 60.77 1v95 s THR 78 Cb 0.04 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1v95 s THR 78 CO 0.11 0.04 0.72 -0.69 -0.69 0.00 0.00 174.62 174.10 1v95 s VAL 79 N 1.29 4.74 -0.27 3.82 1.01 -1.18 -1.96 120.40 127.84 1v95 s VAL 79 Ca -0.03 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 1v95 s VAL 79 Cb -0.18 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 31.97 1v95 s VAL 79 CO -0.03 -0.63 -0.00 0.20 0.00 0.00 0.00 175.10 174.65 1v95 s ASN 80 N 2.04 4.69 0.47 3.32 0.01 -0.63 -2.39 114.94 122.45 1v95 s ASN 80 Ca 0.27 -0.88 -0.21 0.00 -0.71 0.00 0.00 52.86 51.33 1v95 s ASN 80 Cb -0.13 -1.75 -0.09 0.00 0.41 0.00 0.00 41.25 39.69 1v95 s ASN 80 CO 0.20 -0.17 1.03 -0.63 -1.51 0.00 0.00 177.10 176.02 1v95 s ILE 81 N 1.37 3.87 -0.02 0.60 1.01 -1.15 -2.06 121.20 124.82 1v95 s ILE 81 Ca 0.00 1.19 0.07 0.00 0.00 0.00 0.00 60.65 61.91 1v95 s ILE 81 Cb -0.17 -3.49 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 1v95 s ILE 81 CO -0.02 -0.23 0.14 0.23 0.00 0.00 0.00 174.94 175.07 1v95 n MET 82 N -0.84 0.53 -4.09 2.79 2.81 0.51 -4.67 117.12 114.16 1v95 n MET 82 Ca 0.09 -0.06 -0.29 0.00 -1.81 0.00 0.00 57.70 55.63 1v95 n MET 82 Cb 0.52 -1.17 -0.07 0.00 -0.71 0.00 0.00 33.22 31.80 1v95 n MET 82 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1v95 s PHE 83 N -2.45 3.10 0.07 2.03 -0.12 -1.25 -5.02 117.98 114.33 1v95 s PHE 83 Ca -0.03 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 1v95 s PHE 83 Cb 0.04 -1.55 0.00 0.00 -0.63 0.00 0.00 43.02 40.88 1v95 s PHE 83 CO 0.29 0.51 0.00 0.41 -0.05 0.00 0.00 175.22 176.38 1v95 n GLY 84 N 0.19 -1.54 3.10 1.99 0.00 -1.26 -4.82 105.19 102.84 1v95 n GLY 84 Ca -0.09 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 1v95 n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v95 n THR 85 N -1.85 0.66 -2.31 2.61 -1.04 -1.26 -4.72 114.28 106.37 1v95 n THR 85 Ca 0.00 -0.47 -0.36 0.00 -2.04 0.00 0.00 64.05 61.19 1v95 n THR 85 Cb 0.13 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.60 1v95 n THR 85 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1v95 s PRO 86 N -0.94 3.04 -0.30 -2.82 0.04 -1.26 -4.92 135.00 127.85 1v95 s PRO 86 Ca 0.56 -0.49 -0.07 0.00 0.04 0.00 0.00 61.00 61.04 1v95 s PRO 86 Cb -0.61 -4.97 0.01 0.00 0.04 0.00 0.00 34.50 28.97 1v95 s PRO 86 CO 0.59 -2.69 0.08 -0.65 0.04 0.00 0.00 177.00 174.38 1v95 s GLN 87 N 6.07 3.09 -0.37 4.56 -1.52 -1.26 -5.06 119.66 125.17 1v95 s GLN 87 Ca 0.56 -0.86 -0.04 0.00 -1.95 0.00 0.00 55.36 53.07 1v95 s GLN 87 Cb -0.05 -3.38 0.08 0.00 -0.22 0.00 0.00 33.01 29.43 1v95 s GLN 87 CO 0.01 -0.45 0.14 -2.00 -0.25 0.00 0.00 175.29 172.74 1v95 s GLU 88 N 1.50 2.32 -0.42 2.91 2.12 -1.26 -2.93 118.70 122.94 1v95 s GLU 88 Ca 0.03 -1.50 -0.22 0.00 0.36 0.00 0.00 54.97 53.63 1v95 s GLU 88 Cb -0.17 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.76 1v95 s GLU 88 CO 0.03 -0.86 0.75 -1.01 -0.54 0.00 0.00 175.26 173.63 1v95 s HIS 89 N 1.26 3.04 -0.17 5.30 3.76 -1.00 -5.03 115.29 122.45 1v95 s HIS 89 Ca 0.02 0.23 -0.07 0.00 -0.15 0.00 0.00 55.06 55.08 1v95 s HIS 89 Cb -0.21 -3.52 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 1v95 s HIS 89 CO -0.01 -0.89 0.08 1.03 -0.85 0.00 0.00 174.74 174.10 1v95 s ARG 90 N 3.13 3.86 -0.24 1.40 0.52 -1.26 -3.10 118.95 123.27 1v95 s ARG 90 Ca 0.29 -0.30 -0.05 0.00 -0.52 0.00 0.00 55.73 55.14 1v95 s ARG 90 Cb -0.13 -3.21 0.02 0.00 0.52 0.00 0.00 34.95 32.15 1v95 s ARG 90 CO 0.20 0.38 0.11 0.09 0.02 0.00 0.00 175.30 176.10 1v95 n ASN 91 N 3.22 -4.69 -3.81 0.23 3.02 -1.26 -5.05 115.26 106.92 1v95 n ASN 91 Ca -0.17 1.37 -0.13 0.00 -0.03 0.00 0.00 54.58 55.61 1v95 n ASN 91 Cb 0.53 -5.13 -0.14 0.00 -0.61 0.00 0.00 39.78 34.42 1v95 n ASN 91 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1v95 s MET 92 N -1.17 0.04 0.28 3.52 -1.94 -1.19 -5.05 119.30 113.78 1v95 s MET 92 Ca -0.13 0.17 -0.29 0.00 -1.71 0.00 0.00 55.69 53.73 1v95 s MET 92 Cb 0.01 -0.10 -0.09 0.00 2.01 0.00 0.00 34.83 36.66 1v95 s MET 92 CO 0.75 -0.09 1.08 -1.25 -0.01 0.00 0.00 175.02 175.50 1v95 s PRO 93 N 0.59 4.66 0.10 2.03 0.04 -1.26 -3.16 135.00 138.00 1v95 s PRO 93 Ca -0.05 1.77 -0.20 0.00 0.04 0.00 0.00 61.00 62.56 1v95 s PRO 93 Cb -0.07 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1v95 s PRO 93 CO -0.02 0.24 1.25 0.94 0.04 0.00 0.00 177.00 179.46 1v95 n GLN 94 N 1.21 -0.28 -0.39 4.56 -0.06 -1.26 0.56 117.38 121.72 1v95 n GLN 94 Ca -0.01 1.23 -0.03 0.00 -2.00 0.00 0.00 57.00 56.20 1v95 n GLN 94 Cb 0.45 -1.82 0.02 0.00 -4.06 0.00 0.00 30.24 24.83 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1v95 n ALA 95 N -3.20 -0.20 0.39 1.69 0.00 -1.26 0.16 120.51 118.09 1v95 n ALA 95 Ca 0.01 0.97 -0.19 0.00 0.00 0.00 0.00 53.44 54.23 1v95 n ALA 95 Cb 0.17 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 1v95 n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1v95 h ASP 96 N 0.00 -1.16 -0.83 0.00 5.19 -0.45 -1.06 116.42 118.12 1v95 h ASP 96 Ca 0.32 0.07 0.21 0.00 -0.62 0.00 0.00 57.03 57.00 1v95 h ASP 96 Cb 0.57 0.34 -0.14 0.00 0.18 0.00 0.00 39.33 40.28 1v95 h ASP 96 CO -0.98 -0.69 0.10 0.00 -3.12 0.00 0.00 179.24 174.55 1v95 h ALA 97 N -0.94 1.02 -0.20 3.45 0.00 0.31 1.75 119.26 124.66 1v95 h ALA 97 Ca -0.09 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1v95 h ALA 97 Cb 0.89 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1v95 h ALA 97 CO 0.08 -0.45 0.13 0.52 0.00 0.00 0.00 179.25 179.53 1v95 h MET 98 N 0.14 0.16 0.13 0.00 2.86 0.21 0.77 114.93 119.21 1v95 h MET 98 Ca 0.49 -0.01 -0.23 0.00 -2.06 0.00 0.00 59.70 57.89 1v95 h MET 98 Cb 0.93 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.56 1v95 h MET 98 CO -0.68 0.11 -1.08 -0.24 1.06 0.00 0.00 176.91 176.08 1v95 h VAL 99 N 0.17 1.31 0.00 -2.22 3.04 0.34 0.28 116.25 119.17 1v95 h VAL 99 Ca 0.08 -2.49 -0.04 0.00 -1.01 0.00 0.00 66.70 63.25 1v95 h VAL 99 Cb 0.13 2.99 -0.01 0.00 -2.01 0.00 0.00 31.29 32.39 1v95 h VAL 99 CO -0.01 0.71 -0.17 0.25 -1.01 0.00 0.00 177.57 177.33 1v95 h LEU 100 N -0.34 0.00 0.04 3.16 6.46 0.17 1.10 115.31 125.90 1v95 h LEU 100 Ca -0.21 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.32 1v95 h LEU 100 Cb 1.70 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.61 1v95 h LEU 100 CO 0.11 0.17 -1.21 1.62 -0.62 0.00 0.00 178.44 178.52 1v95 h VAL 101 N 0.00 1.03 -0.25 1.05 3.04 0.49 -2.27 116.25 119.33 1v95 h VAL 101 Ca -0.00 -2.27 -0.04 0.00 -1.01 0.00 0.00 66.70 63.38 1v95 h VAL 101 Cb 0.35 2.52 -0.01 0.00 -2.01 0.00 0.00 31.29 32.13 1v95 h VAL 101 CO 0.02 0.50 -0.02 0.00 -1.01 0.00 0.00 177.57 177.07 1v95 h ALA 102 N -0.27 1.52 0.20 3.17 0.00 -0.23 0.27 119.26 123.92 1v95 h ALA 102 Ca -0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1v95 h ALA 102 Cb 1.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1v95 h ALA 102 CO -0.09 0.35 -0.09 0.00 0.00 0.00 0.00 179.25 179.41 1v95 h ARG 103 N 0.36 -0.25 -0.15 0.00 2.47 0.11 -3.10 114.38 113.81 1v95 h ARG 103 Ca 0.08 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.87 1v95 h ARG 103 Cb 0.27 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 28.58 1v95 h ARG 103 CO 0.01 -0.17 -0.37 -0.91 0.56 0.00 0.00 179.97 179.09 1v95 h ASN 104 N -0.87 -1.15 -0.94 7.04 2.35 -1.38 -1.88 115.58 118.76 1v95 h ASN 104 Ca -0.03 0.16 0.12 0.00 -0.55 0.00 0.00 56.30 56.01 1v95 h ASN 104 Cb 0.20 0.48 -0.13 0.00 0.05 0.00 0.00 38.32 38.92 1v95 h ASN 104 CO 0.04 -0.39 -0.44 0.00 -1.65 0.00 0.00 177.43 174.99 1v95 n TYR 105 N -5.42 -0.16 -0.26 1.19 9.36 0.95 0.80 117.16 123.61 1v95 n TYR 105 Ca -0.03 1.16 -0.06 0.00 3.32 0.00 0.00 57.90 62.29 1v95 n TYR 105 Cb 0.34 -0.74 -0.01 0.00 -0.63 0.00 0.00 39.34 38.31 1v95 n TYR 105 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1v95 h GLU 106 N 0.00 -0.14 0.43 2.98 4.39 -1.26 0.31 114.58 121.29 1v95 h GLU 106 Ca 0.25 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 1v95 h GLU 106 Cb 0.49 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1v95 h GLU 106 CO -0.91 -0.09 -0.21 -0.09 -1.16 0.00 0.00 179.01 176.55 1v95 h ARG 107 N -0.14 -0.55 -0.97 2.33 2.43 -0.16 -2.53 114.38 114.78 1v95 h ARG 107 Ca 0.23 0.04 0.31 0.00 -0.81 0.00 0.00 59.98 59.75 1v95 h ARG 107 Cb 0.56 0.13 -0.17 0.00 -0.42 0.00 0.00 29.97 30.06 1v95 h ARG 107 CO -0.77 -0.27 0.24 -0.92 -1.51 0.00 0.00 179.97 176.74 1v95 h TYR 108 N -0.79 0.33 -0.31 2.20 3.20 0.15 1.13 116.97 122.87 1v95 h TYR 108 Ca -0.06 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1v95 h TYR 108 Cb 0.54 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1v95 h TYR 108 CO -0.00 -0.40 0.13 -0.22 -1.64 0.00 0.00 178.16 176.02 1v95 h LYS 109 N 0.05 0.47 -1.01 1.82 3.64 -0.27 0.78 116.57 122.06 1v95 h LYS 109 Ca 0.67 -0.09 0.27 0.00 -1.27 0.00 0.00 60.65 60.24 1v95 h LYS 109 Cb 1.54 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.22 1v95 h LYS 109 CO -0.82 0.48 0.69 -0.91 -2.27 0.00 0.00 179.45 176.62 1v95 h ASN 110 N 0.36 0.21 0.54 4.20 2.35 0.17 0.76 115.58 124.17 1v95 h ASN 110 Ca 0.10 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 1v95 h ASN 110 Cb 0.18 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1v95 h ASN 110 CO -0.01 0.06 -1.56 -0.62 -1.65 0.00 0.00 177.43 173.65 1v95 n GLU 111 N -4.40 0.63 0.00 0.81 1.02 -0.65 -3.81 120.64 114.24 1v95 n GLU 111 Ca 0.22 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1v95 n GLU 111 Cb 0.96 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1v95 n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1v95 h ARG 113 N 0.00 -0.00 0.00 0.00 9.65 -0.86 -3.43 114.38 119.75 1v95 h ARG 113 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1v95 h ARG 113 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1v95 h ARG 113 CO 0.00 -0.00 0.00 -1.91 2.80 0.00 0.00 179.97 180.86 1v95 n GLU 114 N -5.10 0.00 -3.62 0.20 2.13 -1.25 -4.65 120.64 108.36 1v95 n GLU 114 Ca 0.02 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.83 1v95 n GLU 114 Cb 0.24 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.94 1v95 n GLU 114 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1v95 s LYS 115 N 0.00 0.42 -0.60 5.31 1.02 -1.26 -5.08 119.74 119.55 1v95 s LYS 115 Ca 0.00 -0.21 -0.26 0.00 0.02 0.00 0.00 55.97 55.52 1v95 s LYS 115 Cb 0.00 0.16 -0.07 0.00 -0.52 0.00 0.00 37.83 37.39 1v95 s LYS 115 CO 0.00 -0.19 2.30 -2.00 -0.92 0.00 0.00 175.35 174.54 1v95 s GLU 116 N -2.48 2.10 0.03 1.68 2.12 -1.26 -4.17 118.70 116.71 1v95 s GLU 116 Ca 0.12 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.44 1v95 s GLU 116 Cb 0.02 -4.62 0.00 0.00 0.26 0.00 0.00 34.13 29.79 1v95 s GLU 116 CO -0.04 -3.45 0.00 0.54 -0.54 0.00 0.00 175.26 171.77 1v95 n ARG 117 N 8.99 -4.90 -0.86 4.30 1.74 -1.26 -4.90 116.66 119.77 1v95 n ARG 117 Ca 0.36 3.54 -0.36 0.00 -0.77 0.00 0.00 57.85 60.62 1v95 n ARG 117 Cb 0.52 -4.45 0.09 0.00 -1.02 0.00 0.00 32.46 27.59 1v95 n ARG 117 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1v95 n GLU 118 N 1.87 -0.67 -0.32 5.56 2.13 -1.26 -4.75 120.64 123.20 1v95 n GLU 118 Ca 0.00 -0.19 0.17 0.00 0.66 0.00 0.00 57.16 57.80 1v95 n GLU 118 Cb 0.00 -1.29 0.41 0.00 0.27 0.00 0.00 31.44 30.83 1v95 n GLU 118 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1v95 h GLU 119 N -1.45 0.57 -6.29 5.31 4.81 -1.96 -3.41 114.58 112.17 1v95 h GLU 119 Ca -0.45 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.07 1v95 h GLU 119 Cb 1.38 -0.13 0.04 0.00 0.63 0.00 0.00 28.75 30.67 1v95 h GLU 119 CO 0.28 0.38 0.70 -0.89 -0.73 0.00 0.00 179.01 178.75 1v95 n ILE 120 N -4.67 0.14 -2.79 2.32 5.41 -1.26 -4.88 119.36 113.62 1v95 n ILE 120 Ca 0.23 -0.02 -0.24 0.00 1.00 0.00 0.00 62.75 63.72 1v95 n ILE 120 Cb 0.68 -1.17 -0.02 0.00 -0.71 0.00 0.00 39.64 38.42 1v95 n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1v95 n ALA 121 N 3.82 4.33 -3.61 -1.39 0.00 -1.26 -5.00 120.51 117.40 1v95 n ALA 121 Ca 0.20 -4.24 -0.00 0.00 0.00 0.00 0.00 53.44 49.41 1v95 n ALA 121 Cb 0.21 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 1v95 n ALA 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v95 s ARG 122 N -3.32 0.26 -0.17 0.00 3.52 -1.26 -5.08 118.95 112.89 1v95 s ARG 122 Ca 0.45 0.47 -0.16 0.00 -0.13 0.00 0.00 55.73 56.36 1v95 s ARG 122 Cb 0.35 0.08 -0.06 0.00 -1.56 0.00 0.00 34.95 33.76 1v95 s ARG 122 CO -0.13 -0.06 -0.32 1.04 -0.81 0.00 0.00 175.30 175.02 1v95 n GLN 123 N 3.65 0.49 -3.79 5.12 3.00 -1.26 -5.03 117.38 119.57 1v95 n GLN 123 Ca -0.17 0.20 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 1v95 n GLN 123 Cb 0.57 -1.36 0.01 0.00 0.00 0.00 0.00 30.24 29.46 1v95 n GLN 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v95 n ALA 124 N -4.36 -2.70 -2.27 -1.58 0.00 -1.26 -4.18 120.51 104.16 1v95 n ALA 124 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1v95 n ALA 124 Cb 0.52 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1v95 n ALA 124 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1v95 n SER 125 N -2.43 -9.04 -0.78 0.00 7.64 -1.26 -5.05 113.62 102.70 1v95 n SER 125 Ca -0.21 1.70 0.00 0.00 1.01 0.00 0.00 58.87 61.37 1v95 n SER 125 Cb 0.63 -5.07 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 1v95 n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v95 n GLY 126 N 1.90 1.52 3.79 0.23 0.00 -1.26 -5.10 105.19 106.27 1v95 n GLY 126 Ca 0.00 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1v95 n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v95 s PRO 127 N 1.52 1.33 -0.12 1.61 0.04 -1.26 -4.67 135.00 133.45 1v95 s PRO 127 Ca 0.00 0.36 -0.06 0.00 0.04 0.00 0.00 61.00 61.34 1v95 s PRO 127 Cb 0.00 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1v95 s PRO 127 CO 0.00 -2.08 0.12 0.43 0.04 0.00 0.00 177.00 175.51 1v95 n SER 128 N -3.70 -4.19 0.10 6.66 7.64 -1.26 -5.01 113.62 113.86 1v95 n SER 128 Ca 0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1v95 n SER 128 Cb 0.59 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 1v95 n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v95 n SER 129 N 1.88 0.06 0.00 6.43 7.64 -1.26 -5.11 113.62 123.26 1v95 n SER 129 Ca -0.20 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1v95 n SER 129 Cb 0.35 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1v95 n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64