#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v95 s SER 2 N 0.00 4.29 -0.14 1.61 0.01 -1.26 -5.03 113.70 113.19 1v95 s SER 2 Ca 0.00 -0.18 -0.09 0.00 1.31 0.00 0.00 55.95 57.00 1v95 s SER 2 Cb 0.00 -1.29 -0.05 0.00 0.21 0.00 0.00 66.02 64.89 1v95 s SER 2 CO 0.00 0.27 -0.05 0.28 0.41 0.00 0.00 173.24 174.16 1v95 h SER 3 N 5.91 0.00 0.00 2.44 0.02 -2.07 -3.51 113.55 116.33 1v95 h SER 3 Ca -0.39 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1v95 h SER 3 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1v95 h SER 3 CO 0.54 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.60 1v95 n GLY 4 N 1.65 2.95 3.00 -3.77 0.00 -1.26 -5.01 105.19 102.75 1v95 n GLY 4 Ca -0.08 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.64 1v95 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v95 s SER 5 N 0.00 -0.89 0.13 1.61 0.01 -1.26 -5.04 113.70 108.26 1v95 s SER 5 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1v95 s SER 5 Cb 0.00 1.22 0.00 0.00 0.21 0.00 0.00 66.02 67.45 1v95 s SER 5 CO 0.00 -0.11 0.00 -1.20 0.41 0.00 0.00 173.24 172.34 1v95 n SER 6 N 4.26 0.34 0.00 2.44 7.64 -1.26 -5.17 113.62 121.87 1v95 n SER 6 Ca 0.08 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1v95 n SER 6 Cb 0.60 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 2.46 0.05 3.82 0.23 0.00 -1.26 -5.15 105.19 105.34 1v95 n GLY 7 Ca 0.00 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 3.11 -0.04 1.61 0.04 -1.26 -4.94 135.00 131.51 1v95 s PRO 8 Ca 0.00 1.04 -0.01 0.00 0.04 0.00 0.00 61.00 62.06 1v95 s PRO 8 Cb 0.00 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1v95 s PRO 8 CO 0.00 -0.97 0.03 0.08 0.04 0.00 0.00 177.00 176.19 1v95 s VAL 9 N -2.84 0.05 0.26 -0.36 1.01 -1.26 -4.97 120.40 112.29 1v95 s VAL 9 Ca 0.60 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 1v95 s VAL 9 Cb -0.14 -0.25 0.26 0.00 0.00 0.00 0.00 36.38 36.25 1v95 s VAL 9 CO 0.48 0.18 1.66 0.44 0.00 0.00 0.00 175.10 177.87 1v95 h ASP 10 N 8.09 -0.08 -2.10 3.32 3.32 -1.54 -3.32 116.42 124.10 1v95 h ASP 10 Ca -0.23 0.17 -0.23 0.00 0.02 0.00 0.00 57.03 56.77 1v95 h ASP 10 Cb 1.12 0.25 -0.32 0.00 0.22 0.00 0.00 39.33 40.61 1v95 h ASP 10 CO 0.27 -0.10 -0.55 0.00 -1.72 0.00 0.00 179.24 177.14 1v95 s SER 12 N 2.46 6.63 -0.09 0.00 0.01 -0.35 -2.94 113.70 119.41 1v95 s SER 12 Ca 0.10 0.75 -0.22 0.00 1.31 0.00 0.00 55.95 57.89 1v95 s SER 12 Cb -0.15 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1v95 s SER 12 CO -0.18 -0.11 0.67 -0.69 0.41 0.00 0.00 173.24 173.34 1v95 s VAL 13 N 1.21 5.06 -0.39 3.43 1.01 0.53 -0.99 120.40 130.25 1v95 s VAL 13 Ca 0.25 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.50 1v95 s VAL 13 Cb -0.15 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.28 1v95 s VAL 13 CO 0.10 0.24 0.22 -0.63 0.00 0.00 0.00 175.10 175.03 1v95 s ILE 14 N 0.96 4.31 -0.30 2.22 -1.09 0.44 -0.38 121.20 127.35 1v95 s ILE 14 Ca 0.35 -1.15 0.03 0.00 -2.23 0.00 0.00 60.65 57.65 1v95 s ILE 14 Cb -0.17 -3.52 0.08 0.00 -1.58 0.00 0.00 42.46 37.27 1v95 s ILE 14 CO 0.16 -0.36 -0.02 0.54 -1.23 0.00 0.00 174.94 174.04 1v95 s VAL 15 N 1.47 2.18 0.10 2.92 0.11 -0.30 0.17 120.40 127.06 1v95 s VAL 15 Ca 0.02 -2.01 0.05 0.00 -2.93 0.00 0.00 61.98 57.10 1v95 s VAL 15 Cb -0.21 -2.48 -0.23 0.00 -1.53 0.00 0.00 36.38 31.93 1v95 s VAL 15 CO 0.04 -0.36 1.21 -0.37 -3.33 0.00 0.00 175.10 172.29 1v95 h VAL 16 N 6.67 1.62 -3.59 2.04 -1.51 -1.75 -2.36 116.25 117.37 1v95 h VAL 16 Ca -0.11 -3.31 -0.51 0.00 -1.23 0.00 0.00 66.70 61.55 1v95 h VAL 16 Cb 1.03 2.84 -0.02 0.00 -2.13 0.00 0.00 31.29 33.01 1v95 h VAL 16 CO 0.49 0.93 0.37 0.20 -1.23 0.00 0.00 177.57 178.33 1v95 s ASN 17 N -6.76 7.50 -0.16 4.19 0.01 -1.26 -4.25 114.94 114.21 1v95 s ASN 17 Ca -0.01 1.84 0.08 0.00 -0.71 0.00 0.00 52.86 54.07 1v95 s ASN 17 Cb 0.09 -2.59 0.51 0.00 0.41 0.00 0.00 41.25 39.67 1v95 s ASN 17 CO 0.83 -0.05 1.31 1.17 -1.51 0.00 0.00 177.10 178.86 1v95 n LYS 18 N 2.57 3.29 -0.05 -0.60 3.00 -1.26 -3.78 118.16 121.32 1v95 n LYS 18 Ca 0.02 -1.97 -0.06 0.00 -0.00 0.00 0.00 58.31 56.30 1v95 n LYS 18 Cb 0.49 -1.96 -0.06 0.00 0.00 0.00 0.00 35.03 33.50 1v95 n LYS 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1v95 n GLN 19 N 0.30 1.26 -1.23 1.64 3.00 -1.26 -4.65 117.38 116.43 1v95 n GLN 19 Ca 0.19 0.03 -0.21 0.00 -0.01 0.00 0.00 57.00 57.01 1v95 n GLN 19 Cb 0.89 -1.21 -0.11 0.00 0.00 0.00 0.00 30.24 29.80 1v95 n GLN 19 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1v95 n THR 20 N -2.60 3.36 -0.04 5.09 -2.24 -1.25 -4.30 114.28 112.30 1v95 n THR 20 Ca -0.17 -2.20 -0.19 0.00 -2.27 0.00 0.00 64.05 59.22 1v95 n THR 20 Cb 0.73 -1.95 -0.13 0.00 -2.10 0.00 0.00 70.33 66.88 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 3.30 0.11 0.00 -0.78 3.64 -1.82 -0.20 116.57 120.82 1v95 h LYS 21 Ca 0.35 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1v95 h LYS 21 Cb 1.09 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1v95 h LYS 21 CO 0.65 1.09 -0.14 -0.44 -2.27 0.00 0.00 179.45 178.34 1v95 h ASP 22 N -0.70 0.00 0.00 4.20 3.32 -1.97 -1.24 116.42 120.02 1v95 h ASP 22 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1v95 h ASP 22 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1v95 h ASP 22 CO -0.02 0.14 -0.29 0.22 -1.72 0.00 0.00 179.24 177.57 1v95 h TYR 23 N 0.00 0.00 -0.84 4.55 5.03 -1.85 -3.31 116.97 120.54 1v95 h TYR 23 Ca -0.00 0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.48 1v95 h TYR 23 Cb 0.63 0.00 -0.10 0.00 1.55 0.00 0.00 36.73 38.81 1v95 h TYR 23 CO 0.00 0.00 0.39 0.00 -1.32 0.00 0.00 178.16 177.23 1v95 h ALA 24 N -1.08 1.28 0.00 1.82 0.00 -1.09 1.37 119.26 121.56 1v95 h ALA 24 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1v95 h ALA 24 Cb 0.29 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1v95 h ALA 24 CO 0.00 -0.20 0.03 0.93 0.00 0.00 0.00 179.25 180.02 1v95 h GLU 25 N 0.51 0.00 0.00 0.00 5.08 -1.39 -2.05 114.58 116.72 1v95 h GLU 25 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1v95 h GLU 25 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1v95 h GLU 25 CO -0.43 0.00 -0.01 1.03 -1.00 0.00 0.00 179.01 178.60 1v95 h SER 26 N 0.00 0.00 -1.86 1.42 0.87 0.17 -2.82 113.55 111.34 1v95 h SER 26 Ca 0.00 0.00 0.55 0.00 -1.23 0.00 0.00 61.79 61.11 1v95 h SER 26 Cb 0.07 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.94 1v95 h SER 26 CO 0.00 0.03 1.32 1.62 -0.53 0.00 0.00 176.83 179.26 1v95 h VAL 27 N -0.04 0.02 -0.02 2.23 3.04 -1.29 1.67 116.25 121.85 1v95 h VAL 27 Ca 0.00 -0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 1v95 h VAL 27 Cb 0.01 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.31 1v95 h VAL 27 CO 0.00 0.00 -0.17 1.23 -1.01 0.00 0.00 177.57 177.62 1v95 h GLY 28 N 0.00 0.17 2.00 3.17 0.00 -1.51 -3.03 103.07 103.88 1v95 h GLY 28 Ca 0.92 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.95 1v95 h GLY 28 CO -0.10 0.23 -0.20 0.07 0.00 0.00 0.00 176.54 176.55 1v95 h ARG 29 N -0.46 0.00 -0.69 4.80 0.11 0.25 -2.05 114.38 116.34 1v95 h ARG 29 Ca -0.01 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.99 1v95 h ARG 29 Cb 0.86 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.91 1v95 h ARG 29 CO 0.03 0.20 0.14 0.87 0.10 0.00 0.00 179.97 181.32 1v95 h LYS 30 N 0.00 1.11 0.00 0.08 1.79 -0.19 0.31 116.57 119.68 1v95 h LYS 30 Ca -0.00 -0.28 -0.12 0.00 -2.18 0.00 0.00 60.65 58.07 1v95 h LYS 30 Cb 0.45 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1v95 h LYS 30 CO 0.03 0.99 -0.56 0.28 -1.08 0.00 0.00 179.45 179.11 1v95 h VAL 31 N 1.05 1.29 -0.04 0.50 2.07 -1.27 -2.87 116.25 116.97 1v95 h VAL 31 Ca 0.21 -2.00 -0.15 0.00 0.82 0.00 0.00 66.70 65.58 1v95 h VAL 31 Cb 0.40 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1v95 h VAL 31 CO 0.01 0.55 -0.64 0.03 0.02 0.00 0.00 177.57 177.54 1v95 h ARG 32 N 0.00 0.16 0.00 1.57 3.08 -0.76 -2.53 114.38 115.90 1v95 h ARG 32 Ca -0.01 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1v95 h ARG 32 Cb 1.07 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1v95 h ARG 32 CO 0.07 0.74 0.00 0.22 -1.07 0.00 0.00 179.97 179.94 1v95 h ASP 33 N 0.12 0.00 0.53 7.04 3.58 -0.72 0.80 116.42 127.76 1v95 h ASP 33 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1v95 h ASP 33 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1v95 h ASP 33 CO 0.09 0.00 -0.62 0.18 -2.88 0.00 0.00 179.24 176.01 1v95 n LEU 34 N -2.78 0.58 0.00 2.28 4.77 -0.98 -4.92 117.00 115.94 1v95 n LEU 34 Ca -0.02 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1v95 n LEU 34 Cb 0.06 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1v95 n LEU 34 CO 0.16 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1v95 n GLY 35 N 1.45 1.22 3.61 -0.72 0.00 0.28 -5.09 105.19 105.94 1v95 n GLY 35 Ca 0.05 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.76 3.43 -0.01 1.61 1.00 -1.06 -5.01 119.30 118.49 1v95 s MET 36 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 55.69 54.96 1v95 s MET 36 Cb 0.00 -2.92 -0.06 0.00 0.00 0.00 0.00 34.83 31.85 1v95 s MET 36 CO 0.00 0.46 1.61 0.08 0.00 0.00 0.00 175.02 177.17 1v95 s VAL 37 N -0.20 3.47 0.07 -6.03 1.01 -1.26 -3.53 120.40 113.93 1v95 s VAL 37 Ca 0.05 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.80 1v95 s VAL 37 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1v95 s VAL 37 CO 0.02 -0.04 -0.14 -0.69 0.00 0.00 0.00 175.10 174.25 1v95 s VAL 38 N 3.41 1.11 0.18 2.92 1.01 -1.26 -0.79 120.40 126.98 1v95 s VAL 38 Ca 0.72 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1v95 s VAL 38 Cb -0.35 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1v95 s VAL 38 CO 0.30 -0.24 0.10 -0.62 0.00 0.00 0.00 175.10 174.63 1v95 s ASP 39 N -1.79 0.28 -0.11 3.32 2.15 -1.15 -5.00 116.67 114.37 1v95 s ASP 39 Ca -0.01 -1.32 0.03 0.00 0.43 0.00 0.00 52.55 51.68 1v95 s ASP 39 Cb -0.10 0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 1v95 s ASP 39 CO 0.02 -0.79 -0.23 -0.76 -0.17 0.00 0.00 175.17 173.24 1v95 s LEU 40 N -3.13 2.10 -0.36 -1.34 1.02 -1.26 -0.35 118.68 115.36 1v95 s LEU 40 Ca 0.33 -0.57 -0.04 0.00 0.02 0.00 0.00 54.13 53.87 1v95 s LEU 40 Cb 0.07 -1.42 0.07 0.00 0.02 0.00 0.00 46.19 44.93 1v95 s LEU 40 CO 0.08 0.13 0.12 -0.63 0.02 0.00 0.00 176.35 176.07 1v95 s ILE 41 N 0.50 3.34 -0.17 -0.59 1.01 0.49 -4.95 121.20 120.82 1v95 s ILE 41 Ca -0.15 -1.59 -0.17 0.00 0.00 0.00 0.00 60.65 58.73 1v95 s ILE 41 Cb -0.17 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1v95 s ILE 41 CO 0.05 -0.37 0.46 -0.36 0.00 0.00 0.00 174.94 174.72 1v95 s PHE 42 N 1.25 3.43 -0.63 3.97 0.08 -1.26 -1.15 117.98 123.67 1v95 s PHE 42 Ca 0.01 0.77 0.06 0.00 0.12 0.00 0.00 56.93 57.89 1v95 s PHE 42 Cb -0.21 -2.57 0.25 0.00 -0.57 0.00 0.00 43.02 39.92 1v95 s PHE 42 CO -0.01 0.04 0.75 1.28 -0.10 0.00 0.00 175.22 177.17 1v95 n LEU 43 N 4.23 3.71 -4.39 -0.37 4.77 -0.89 -4.95 117.00 119.11 1v95 n LEU 43 Ca -0.07 -5.44 -0.45 0.00 -0.03 0.00 0.00 56.01 50.02 1v95 n LEU 43 Cb 0.51 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 1v95 n LEU 43 CO 0.42 2.06 0.74 0.54 -1.33 0.00 0.00 177.39 179.82 1v95 s ASN 44 N -2.47 6.73 -1.21 -1.43 4.22 -1.26 -4.43 114.94 115.09 1v95 s ASN 44 Ca 0.40 -2.42 -0.01 0.00 -2.14 0.00 0.00 52.86 48.69 1v95 s ASN 44 Cb 0.15 -2.31 -0.01 0.00 1.28 0.00 0.00 41.25 40.37 1v95 s ASN 44 CO -0.01 -0.81 0.92 0.41 -2.04 0.00 0.00 177.10 175.57 1v95 n THR 45 N 4.69 -5.92 0.03 0.54 -1.04 -1.26 -4.92 114.28 106.41 1v95 n THR 45 Ca 0.20 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1v95 n THR 45 Cb 0.48 -4.84 0.00 0.00 -1.82 0.00 0.00 70.33 64.15 1v95 n THR 45 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1v95 n GLU 46 N -4.09 0.00 -3.99 -2.82 4.07 -1.26 -5.15 120.64 107.40 1v95 n GLU 46 Ca -0.27 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.65 1v95 n GLU 46 Cb 0.67 -0.09 -0.07 0.00 -0.06 0.00 0.00 31.44 31.89 1v95 n GLU 46 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1v95 n VAL 47 N -2.85 0.00 -2.85 6.31 0.24 -1.26 -5.07 118.33 112.85 1v95 n VAL 47 Ca 0.00 -2.16 -0.19 0.00 -2.04 0.00 0.00 64.34 59.95 1v95 n VAL 47 Cb 0.00 1.05 0.03 0.00 -1.47 0.00 0.00 33.84 33.45 1v95 n VAL 47 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1v95 s SER 48 N -3.08 5.36 0.06 -1.34 0.01 -1.26 -4.86 113.70 108.59 1v95 s SER 48 Ca 0.34 -0.32 -0.31 0.00 1.31 0.00 0.00 55.95 56.97 1v95 s SER 48 Cb 0.02 -0.58 -0.15 0.00 0.21 0.00 0.00 66.02 65.51 1v95 s SER 48 CO 0.24 -1.04 1.47 0.25 0.41 0.00 0.00 173.24 174.57 1v95 h LEU 49 N 0.30 -1.11 -0.84 2.44 6.46 -2.00 -2.60 115.31 117.96 1v95 h LEU 49 Ca -0.39 0.08 0.16 0.00 -0.12 0.00 0.00 57.88 57.60 1v95 h LEU 49 Cb 1.29 0.35 -0.16 0.00 -0.73 0.00 0.00 40.66 41.41 1v95 h LEU 49 CO 0.47 -0.60 -0.24 0.77 -0.62 0.00 0.00 178.44 178.21 1v95 h SER 50 N -0.94 -0.90 -1.51 1.25 4.64 -1.97 1.37 113.55 115.50 1v95 h SER 50 Ca -0.07 0.26 0.46 0.00 -0.47 0.00 0.00 61.79 61.96 1v95 h SER 50 Cb 0.78 0.56 -0.10 0.00 -0.31 0.00 0.00 62.40 63.33 1v95 h SER 50 CO 0.02 -0.28 1.04 1.56 -0.87 0.00 0.00 176.83 178.29 1v95 h GLN 51 N -0.02 0.06 0.13 4.77 7.50 -1.86 1.15 115.11 126.84 1v95 h GLN 51 Ca 0.38 -0.00 -0.32 0.00 0.50 0.00 0.00 58.65 59.21 1v95 h GLN 51 Cb 0.61 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.12 1v95 h GLN 51 CO -0.87 0.04 -1.66 0.00 -1.50 0.00 0.00 178.83 174.84 1v95 h ALA 52 N 1.37 0.25 -0.46 3.87 0.00 0.19 -3.23 119.26 121.24 1v95 h ALA 52 Ca 0.81 -1.20 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1v95 h ALA 52 Cb 2.88 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 21.20 1v95 h ALA 52 CO -0.20 1.01 0.31 -0.07 0.00 0.00 0.00 179.25 180.29 1v95 h LEU 53 N -0.14 0.29 0.30 0.00 3.38 0.30 0.52 115.31 119.95 1v95 h LEU 53 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1v95 h LEU 53 Cb 1.89 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1v95 h LEU 53 CO 0.08 0.18 -0.14 -0.08 0.09 0.00 0.00 178.44 178.57 1v95 h GLU 54 N 0.33 -0.39 0.00 1.13 4.81 0.75 -2.25 114.58 118.96 1v95 h GLU 54 Ca 0.21 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1v95 h GLU 54 Cb 0.39 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1v95 h GLU 54 CO -0.05 -0.08 -0.15 0.22 -0.73 0.00 0.00 179.01 178.22 1v95 h ASP 55 N -0.73 0.00 0.46 1.04 1.82 -1.40 -1.28 116.42 116.34 1v95 h ASP 55 Ca -0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 1v95 h ASP 55 Cb 0.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1v95 h ASP 55 CO 0.07 0.15 -0.23 0.58 -1.61 0.00 0.00 179.24 178.20 1v95 h VAL 56 N 0.00 0.00 0.62 2.25 2.07 0.23 1.11 116.25 122.54 1v95 h VAL 56 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1v95 h VAL 56 Cb 0.34 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1v95 h VAL 56 CO 0.02 0.00 -0.42 -1.28 0.02 0.00 0.00 177.57 175.91 1v95 h SER 57 N -0.64 -1.09 -1.02 0.57 0.87 -1.29 0.79 113.55 111.75 1v95 h SER 57 Ca -0.06 0.07 0.25 0.00 -1.23 0.00 0.00 61.79 60.81 1v95 h SER 57 Cb 0.49 0.33 -0.09 0.00 -0.44 0.00 0.00 62.40 62.69 1v95 h SER 57 CO 0.10 -0.63 0.65 0.08 -0.53 0.00 0.00 176.83 176.50 1v95 h ARG 58 N -0.99 0.42 0.00 2.24 0.11 -1.31 1.18 114.38 116.03 1v95 h ARG 58 Ca -0.08 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.93 1v95 h ARG 58 Cb 0.81 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.79 1v95 h ARG 58 CO 0.06 0.28 -0.19 0.78 0.10 0.00 0.00 179.97 181.00 1v95 h GLY 59 N 0.43 0.00 0.00 0.08 0.00 0.20 -3.46 103.07 100.32 1v95 h GLY 59 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1v95 h GLY 59 CO -0.29 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.86 1v95 n GLY 60 N -0.32 2.05 3.41 4.60 0.00 0.41 -4.12 105.19 111.22 1v95 n GLY 60 Ca -0.01 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.41 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 1.18 -0.01 1.61 7.64 0.12 -4.81 113.62 119.35 1v95 n SER 61 Ca 0.00 0.76 -0.17 0.00 1.01 0.00 0.00 58.87 60.47 1v95 n SER 61 Cb 0.00 -0.97 -0.10 0.00 -1.01 0.00 0.00 64.21 62.13 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 8.66 0.43 -6.44 1.43 0.13 -1.67 -3.37 132.00 131.17 1v95 h PRO 62 Ca -0.22 -0.42 -0.68 0.00 -0.87 0.00 0.00 66.00 63.81 1v95 h PRO 62 Cb 1.39 0.11 -0.20 0.00 0.13 0.00 0.00 31.00 32.43 1v95 h PRO 62 CO 1.05 1.07 -0.76 -0.06 -0.23 0.00 0.00 178.00 179.07 1v95 s PHE 63 N -3.37 2.72 -0.04 1.56 0.08 -1.11 0.19 117.98 118.00 1v95 s PHE 63 Ca -0.13 -0.15 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 1v95 s PHE 63 Cb 0.04 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.99 1v95 s PHE 63 CO 0.82 0.31 0.03 0.00 -0.10 0.00 0.00 175.22 176.28 1v95 s ALA 64 N -0.96 0.34 -0.01 5.36 0.00 -1.02 -1.22 121.76 124.26 1v95 s ALA 64 Ca 0.16 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 1v95 s ALA 64 Cb -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1v95 s ALA 64 CO 0.06 -0.35 0.35 0.42 0.00 0.00 0.00 175.76 176.24 1v95 s ILE 65 N 1.77 5.14 -0.20 0.00 1.01 -0.16 -1.63 121.20 127.13 1v95 s ILE 65 Ca 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 60.65 61.20 1v95 s ILE 65 Cb -0.12 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1v95 s ILE 65 CO -0.03 0.52 0.07 0.54 0.00 0.00 0.00 174.94 176.04 1v95 s VAL 66 N -1.14 4.65 -0.13 2.92 0.11 -0.65 0.17 120.40 126.33 1v95 s VAL 66 Ca 0.24 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 1v95 s VAL 66 Cb -0.15 -3.12 0.01 0.00 -1.53 0.00 0.00 36.38 31.59 1v95 s VAL 66 CO 0.13 0.42 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.49 1v95 s ILE 67 N 0.75 1.85 0.00 7.04 -1.09 0.44 -3.27 121.20 126.93 1v95 s ILE 67 Ca 0.03 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 1v95 s ILE 67 Cb -0.13 -1.65 0.00 0.00 -1.58 0.00 0.00 42.46 39.10 1v95 s ILE 67 CO 0.02 0.51 0.00 0.35 -1.23 0.00 0.00 174.94 174.59 1v95 n THR 68 N 4.08 0.00 -0.01 2.92 -2.24 -1.26 -3.03 114.28 114.74 1v95 n THR 68 Ca -0.20 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1v95 n THR 68 Cb 0.51 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1v95 n THR 68 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1v95 h GLN 69 N 0.00 -0.02 -0.51 -0.78 4.20 -1.99 -3.31 115.11 112.69 1v95 h GLN 69 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1v95 h GLN 69 Cb 0.00 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 1v95 h GLN 69 CO 0.00 -0.02 0.09 0.37 -0.67 0.00 0.00 178.83 178.60 1v95 h GLN 70 N -0.50 0.22 -1.08 1.46 5.75 -1.99 0.27 115.11 119.24 1v95 h GLN 70 Ca -0.00 -0.01 0.31 0.00 -0.15 0.00 0.00 58.65 58.80 1v95 h GLN 70 Cb 0.02 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1v95 h GLN 70 CO 0.00 0.14 1.02 0.45 -2.65 0.00 0.00 178.83 177.80 1v95 h HIS 71 N 0.22 0.00 0.19 3.99 3.86 -1.78 0.63 115.15 122.26 1v95 h HIS 71 Ca 0.26 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1v95 h HIS 71 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1v95 h HIS 71 CO -0.24 0.00 -0.09 0.37 0.86 0.00 0.00 177.93 178.83 1v95 h GLN 72 N 0.00 -0.24 -0.88 2.45 4.15 -0.55 1.60 115.11 121.64 1v95 h GLN 72 Ca 0.51 0.02 0.06 0.00 0.77 0.00 0.00 58.65 60.01 1v95 h GLN 72 Cb 2.55 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 30.24 1v95 h GLN 72 CO -0.01 0.16 0.57 0.82 -1.93 0.00 0.00 178.83 178.45 1v95 h ILE 73 N -0.85 1.06 0.00 2.39 2.04 0.17 0.14 117.51 122.46 1v95 h ILE 73 Ca -0.03 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1v95 h ILE 73 Cb 0.52 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1v95 h ILE 73 CO 0.04 0.18 -0.44 0.45 0.00 0.00 0.00 178.15 178.38 1v95 h HIS 74 N 1.00 0.00 -3.54 1.37 3.86 -0.84 -3.47 115.15 113.53 1v95 h HIS 74 Ca 0.38 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 59.19 1v95 h HIS 74 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1v95 h HIS 74 CO -0.00 0.00 -0.54 0.54 0.86 0.00 0.00 177.93 178.79 1v95 n ARG 75 N -2.51 -2.67 -4.54 2.45 1.74 0.51 -4.97 116.66 106.67 1v95 n ARG 75 Ca 0.03 0.94 -0.26 0.00 -0.77 0.00 0.00 57.85 57.79 1v95 n ARG 75 Cb 0.49 -5.66 -0.14 0.00 -1.02 0.00 0.00 32.46 26.13 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 -2.25 2.75 0.45 0.55 1.04 0.92 -4.03 113.70 113.13 1v95 s SER 76 Ca 0.09 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1v95 s SER 76 Cb -0.04 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 1v95 s SER 76 CO 0.12 0.15 0.04 0.00 0.98 0.00 0.00 173.24 174.52 1v95 s THR 78 N -2.95 2.65 -0.22 0.00 2.01 -1.20 -0.83 115.64 115.09 1v95 s THR 78 Ca 0.19 -0.90 -0.20 0.00 0.31 0.00 0.00 61.69 61.09 1v95 s THR 78 Cb 0.04 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1v95 s THR 78 CO 0.10 0.37 0.61 -0.69 -0.69 0.00 0.00 174.62 174.32 1v95 s VAL 79 N 1.34 5.02 -0.30 3.82 1.01 -1.12 -1.64 120.40 128.51 1v95 s VAL 79 Ca 0.03 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.15 1v95 s VAL 79 Cb -0.15 -3.92 0.09 0.00 0.00 0.00 0.00 36.38 32.40 1v95 s VAL 79 CO -0.07 0.08 0.03 0.20 0.00 0.00 0.00 175.10 175.34 1v95 s ASN 80 N 1.32 4.33 0.44 3.32 0.01 -0.64 -2.21 114.94 121.51 1v95 s ASN 80 Ca 0.27 -1.75 -0.23 0.00 -0.71 0.00 0.00 52.86 50.44 1v95 s ASN 80 Cb -0.16 -1.30 -0.08 0.00 0.41 0.00 0.00 41.25 40.13 1v95 s ASN 80 CO 0.09 -0.35 1.11 -0.63 -1.51 0.00 0.00 177.10 175.81 1v95 s ILE 81 N 1.23 3.41 -0.07 0.60 1.01 -1.23 -2.43 121.20 123.72 1v95 s ILE 81 Ca 0.06 1.05 0.10 0.00 0.00 0.00 0.00 60.65 61.86 1v95 s ILE 81 Cb -0.18 -3.53 -0.14 0.00 0.01 0.00 0.00 42.46 38.62 1v95 s ILE 81 CO -0.13 -0.02 0.10 0.23 0.00 0.00 0.00 174.94 175.12 1v95 n MET 82 N -0.36 1.68 -4.04 2.79 2.81 0.50 -4.67 117.12 115.82 1v95 n MET 82 Ca 0.07 -0.04 -0.29 0.00 -1.81 0.00 0.00 57.70 55.63 1v95 n MET 82 Cb 0.49 -1.26 -0.06 0.00 -0.71 0.00 0.00 33.22 31.68 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 -2.41 3.22 0.00 2.03 -0.12 -1.25 -5.00 117.98 114.44 1v95 s PHE 83 Ca -0.05 0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.89 1v95 s PHE 83 Cb 0.04 -1.60 0.00 0.00 -0.63 0.00 0.00 43.02 40.84 1v95 s PHE 83 CO 0.43 0.53 0.00 0.41 -0.05 0.00 0.00 175.22 176.53 1v95 n GLY 84 N 0.14 -0.46 3.76 1.99 0.00 -1.26 -4.82 105.19 104.54 1v95 n GLY 84 Ca -0.08 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 1v95 n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v95 s THR 85 N 0.00 2.24 -0.41 2.61 2.01 -1.26 -4.91 115.64 115.92 1v95 s THR 85 Ca 0.00 0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 1v95 s THR 85 Cb 0.00 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.41 1v95 s THR 85 CO 0.00 0.01 1.41 -2.16 -0.69 0.00 0.00 174.62 173.19 1v95 s PRO 86 N -2.62 3.59 -0.24 4.92 0.04 -1.26 -4.92 135.00 134.51 1v95 s PRO 86 Ca 0.65 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1v95 s PRO 86 Cb -0.40 -4.02 0.06 0.00 0.04 0.00 0.00 34.50 30.18 1v95 s PRO 86 CO 0.50 -1.54 -0.03 -0.65 0.04 0.00 0.00 177.00 175.32 1v95 s GLN 87 N 4.90 1.44 -0.42 4.56 -1.52 -1.26 -5.09 119.66 122.27 1v95 s GLN 87 Ca 0.61 -0.97 -0.11 0.00 -1.95 0.00 0.00 55.36 52.93 1v95 s GLN 87 Cb -0.14 -2.52 0.06 0.00 -0.22 0.00 0.00 33.01 30.19 1v95 s GLN 87 CO 0.32 -0.65 0.27 -2.00 -0.25 0.00 0.00 175.29 172.99 1v95 s GLU 88 N 1.44 2.78 -0.42 2.91 2.12 -1.26 -3.57 118.70 122.70 1v95 s GLU 88 Ca -0.03 -1.29 -0.17 0.00 0.36 0.00 0.00 54.97 53.84 1v95 s GLU 88 Cb -0.19 -3.85 0.02 0.00 0.26 0.00 0.00 34.13 30.37 1v95 s GLU 88 CO -0.08 -0.88 0.42 -1.01 -0.54 0.00 0.00 175.26 173.18 1v95 s HIS 89 N 1.53 3.18 -0.07 5.30 3.76 -0.94 -5.05 115.29 123.00 1v95 s HIS 89 Ca 0.03 -0.40 -0.18 0.00 -0.15 0.00 0.00 55.06 54.37 1v95 s HIS 89 Cb -0.22 -2.86 -0.05 0.00 1.11 0.00 0.00 32.58 30.56 1v95 s HIS 89 CO 0.05 -0.69 0.48 1.03 -0.85 0.00 0.00 174.74 174.76 1v95 s ARG 90 N 2.09 4.25 -0.21 1.40 0.52 -1.26 -2.79 118.95 122.94 1v95 s ARG 90 Ca 0.11 0.48 -0.02 0.00 -0.52 0.00 0.00 55.73 55.78 1v95 s ARG 90 Cb -0.17 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 31.93 1v95 s ARG 90 CO 0.13 0.31 0.05 0.09 0.02 0.00 0.00 175.30 175.90 1v95 n ASN 91 N 3.11 -6.38 -4.15 0.23 3.02 -1.25 -5.02 115.26 104.82 1v95 n ASN 91 Ca -0.09 1.20 -0.26 0.00 -0.03 0.00 0.00 54.58 55.40 1v95 n ASN 91 Cb 0.52 -4.39 -0.16 0.00 -0.61 0.00 0.00 39.78 35.14 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 -1.25 1.70 0.28 3.52 -1.94 -0.01 -4.95 119.30 116.65 1v95 s MET 92 Ca -0.05 -0.62 -0.29 0.00 -1.71 0.00 0.00 55.69 53.01 1v95 s MET 92 Cb 0.00 -1.52 -0.09 0.00 2.01 0.00 0.00 34.83 35.23 1v95 s MET 92 CO 0.59 0.29 1.08 -1.25 -0.01 0.00 0.00 175.02 175.72 1v95 s PRO 93 N -0.09 4.64 0.04 2.03 0.04 -1.26 -1.66 135.00 138.73 1v95 s PRO 93 Ca -0.01 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.71 1v95 s PRO 93 Cb -0.10 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 1v95 s PRO 93 CO 0.01 0.23 1.05 1.04 0.04 0.00 0.00 177.00 179.37 1v95 n GLN 94 N 1.16 -0.11 -0.02 4.56 3.00 -1.26 0.98 117.38 125.69 1v95 n GLN 94 Ca -0.01 1.04 -0.01 0.00 -0.01 0.00 0.00 57.00 58.01 1v95 n GLN 94 Cb 0.45 -1.55 -0.01 0.00 0.00 0.00 0.00 30.24 29.14 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v95 n ALA 95 N -3.02 -0.04 -0.25 -1.58 0.00 -1.26 0.14 120.51 114.50 1v95 n ALA 95 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 1v95 n ALA 95 Cb 0.06 0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.53 -0.79 0.00 5.19 -1.62 0.77 116.42 118.45 1v95 h ASP 96 Ca 0.01 0.26 0.18 0.00 -0.62 0.00 0.00 57.03 56.86 1v95 h ASP 96 Cb 0.02 0.71 -0.12 0.00 0.18 0.00 0.00 39.33 40.12 1v95 h ASP 96 CO -0.05 -0.32 0.18 0.00 -3.12 0.00 0.00 179.24 175.93 1v95 h ALA 97 N 0.73 1.04 0.00 3.45 0.00 0.36 1.80 119.26 126.64 1v95 h ALA 97 Ca 0.20 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1v95 h ALA 97 Cb 0.55 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1v95 h ALA 97 CO -0.75 -0.38 -0.17 0.52 0.00 0.00 0.00 179.25 178.47 1v95 h MET 98 N 0.24 0.00 0.06 0.00 2.86 0.73 0.13 114.93 118.94 1v95 h MET 98 Ca 0.46 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.93 1v95 h MET 98 Cb 0.83 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1v95 h MET 98 CO -0.57 0.17 -0.86 -0.24 1.06 0.00 0.00 176.91 176.47 1v95 h VAL 99 N 0.00 1.31 0.00 -2.22 3.04 0.58 0.65 116.25 119.61 1v95 h VAL 99 Ca -0.00 -2.35 -0.01 0.00 -1.01 0.00 0.00 66.70 63.33 1v95 h VAL 99 Cb 0.46 2.88 -0.00 0.00 -2.01 0.00 0.00 31.29 32.62 1v95 h VAL 99 CO 0.02 0.58 -0.03 0.25 -1.01 0.00 0.00 177.57 177.38 1v95 h LEU 100 N -0.69 0.00 0.03 3.16 6.46 0.23 1.28 115.31 125.77 1v95 h LEU 100 Ca -0.20 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.42 1v95 h LEU 100 Cb 1.40 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.32 1v95 h LEU 100 CO -0.01 0.03 -0.77 1.62 -0.62 0.00 0.00 178.44 178.69 1v95 h VAL 101 N 0.00 1.31 0.00 1.05 3.04 -1.06 -1.15 116.25 119.45 1v95 h VAL 101 Ca -0.00 -2.30 -0.02 0.00 -1.01 0.00 0.00 66.70 63.37 1v95 h VAL 101 Cb 0.06 2.81 -0.00 0.00 -2.01 0.00 0.00 31.29 32.15 1v95 h VAL 101 CO 0.00 0.51 -0.09 0.00 -1.01 0.00 0.00 177.57 176.99 1v95 h ALA 102 N -0.20 1.53 0.00 3.17 0.00 -0.46 0.59 119.26 123.89 1v95 h ALA 102 Ca -0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1v95 h ALA 102 Cb 1.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1v95 h ALA 102 CO -0.07 0.11 -0.14 0.00 0.00 0.00 0.00 179.25 179.15 1v95 h ARG 103 N 0.00 0.00 -0.03 0.00 2.47 0.15 -3.25 114.38 113.73 1v95 h ARG 103 Ca -0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1v95 h ARG 103 Cb 0.20 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 1v95 h ARG 103 CO 0.01 0.06 -0.18 -0.91 0.56 0.00 0.00 179.97 179.51 1v95 h ASN 104 N -1.00 -0.52 -0.93 7.04 2.35 -1.10 -2.13 115.58 119.29 1v95 h ASN 104 Ca -0.01 0.08 0.19 0.00 -0.55 0.00 0.00 56.30 56.01 1v95 h ASN 104 Cb 0.18 0.22 -0.18 0.00 0.05 0.00 0.00 38.32 38.60 1v95 h ASN 104 CO -0.00 -0.24 -0.24 0.22 -1.65 0.00 0.00 177.43 175.52 1v95 h TYR 105 N -0.27 -0.51 -0.18 1.19 3.20 0.01 0.19 116.97 120.60 1v95 h TYR 105 Ca 0.06 0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1v95 h TYR 105 Cb 0.36 0.37 -0.07 0.00 1.54 0.00 0.00 36.73 38.93 1v95 h TYR 105 CO -0.24 -0.40 -0.46 0.93 -1.64 0.00 0.00 178.16 176.35 1v95 h GLU 106 N -0.00 -0.48 0.21 1.82 4.39 -1.42 0.23 114.58 119.34 1v95 h GLU 106 Ca 0.44 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.18 1v95 h GLU 106 Cb 0.68 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 1v95 h GLU 106 CO -0.96 -0.32 -0.45 -0.09 -1.16 0.00 0.00 179.01 176.04 1v95 h ARG 107 N -0.49 -0.69 -0.66 2.33 9.65 -0.58 0.50 114.38 124.43 1v95 h ARG 107 Ca 0.07 0.05 0.19 0.00 -1.10 0.00 0.00 59.98 59.19 1v95 h ARG 107 Cb 0.64 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.35 1v95 h ARG 107 CO -0.44 -0.46 0.84 -0.92 2.80 0.00 0.00 179.97 181.79 1v95 h TYR 108 N -0.72 0.00 0.10 2.20 5.03 -0.71 0.80 116.97 123.67 1v95 h TYR 108 Ca -0.02 0.00 -0.25 0.00 2.58 0.00 0.00 58.73 61.04 1v95 h TYR 108 Cb 0.68 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.96 1v95 h TYR 108 CO -0.37 0.00 -1.28 -0.22 -1.32 0.00 0.00 178.16 174.97 1v95 h LYS 109 N 0.00 0.21 -1.09 1.82 3.64 0.13 -2.31 116.57 118.97 1v95 h LYS 109 Ca 0.32 -0.36 0.30 0.00 -1.27 0.00 0.00 60.65 59.63 1v95 h LYS 109 Cb 1.99 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 33.86 1v95 h LYS 109 CO -0.00 1.17 0.73 -0.91 -2.27 0.00 0.00 179.45 178.17 1v95 h ASN 110 N -0.41 0.30 0.74 4.20 2.35 0.53 1.59 115.58 124.89 1v95 h ASN 110 Ca -0.28 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.37 1v95 h ASN 110 Cb 1.67 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 40.03 1v95 h ASN 110 CO 0.04 0.04 -1.36 -0.33 -1.65 0.00 0.00 177.43 174.17 1v95 h GLU 111 N 0.26 0.00 0.09 0.81 5.08 -1.43 -3.34 114.58 116.05 1v95 h GLU 111 Ca 0.59 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1v95 h GLU 111 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1v95 h GLU 111 CO -0.22 0.30 -0.04 0.00 -1.00 0.00 0.00 179.01 178.04 1v95 h ARG 113 N -0.75 0.22 -0.24 0.00 1.12 0.16 0.75 114.38 115.63 1v95 h ARG 113 Ca -0.01 -0.01 0.04 0.00 -1.11 0.00 0.00 59.98 58.88 1v95 h ARG 113 Cb 0.57 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.45 1v95 h ARG 113 CO 0.02 0.14 0.02 1.49 -3.11 0.00 0.00 179.97 178.53 1v95 h GLU 114 N 0.22 0.09 -2.28 0.20 4.22 -1.67 -0.82 114.58 114.54 1v95 h GLU 114 Ca 0.77 -0.01 -0.62 0.00 0.08 0.00 0.00 59.36 59.58 1v95 h GLU 114 Cb 1.89 -0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.72 1v95 h GLU 114 CO -0.63 0.06 -0.43 1.63 -2.18 0.00 0.00 179.01 177.46 1v95 n LYS 115 N -5.13 3.23 0.02 1.92 5.02 0.24 -4.66 118.16 118.80 1v95 n LYS 115 Ca -0.01 -4.78 0.00 0.00 -2.02 0.00 0.00 58.31 51.50 1v95 n LYS 115 Cb 0.12 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 1v95 n LYS 115 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1v95 n GLU 116 N 0.21 0.00 -2.39 1.97 2.13 -0.20 -4.89 120.64 117.48 1v95 n GLU 116 Ca 0.32 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.13 1v95 n GLU 116 Cb 0.38 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.09 1v95 n GLU 116 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1v95 n ARG 117 N -2.41 -5.08 -0.48 5.31 1.74 -0.32 -4.94 116.66 110.48 1v95 n ARG 117 Ca 0.00 3.69 -0.15 0.00 -0.77 0.00 0.00 57.85 60.62 1v95 n ARG 117 Cb 0.00 -4.73 0.15 0.00 -1.02 0.00 0.00 32.46 26.86 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 1.85 -1.44 -0.38 5.56 2.13 -1.26 -4.94 120.64 122.16 1v95 n GLU 118 Ca -0.05 -0.72 0.07 0.00 0.66 0.00 0.00 57.16 57.12 1v95 n GLU 118 Cb 0.08 -1.43 0.14 0.00 0.27 0.00 0.00 31.44 30.50 1v95 n GLU 118 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1v95 n GLU 119 N -1.41 1.18 -1.67 5.31 2.13 -1.26 -5.05 120.64 119.86 1v95 n GLU 119 Ca 0.07 -2.63 -0.56 0.00 0.66 0.00 0.00 57.16 54.70 1v95 n GLU 119 Cb 0.30 -1.35 -0.07 0.00 0.27 0.00 0.00 31.44 30.59 1v95 n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1v95 n ILE 120 N -1.07 0.22 -2.81 6.31 5.41 -1.26 -4.86 119.36 121.30 1v95 n ILE 120 Ca 0.15 -0.04 -0.11 0.00 1.00 0.00 0.00 62.75 63.75 1v95 n ILE 120 Cb 0.70 -1.11 0.02 0.00 -0.71 0.00 0.00 39.64 38.54 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 4.52 2.80 -3.15 -1.39 0.00 -1.26 -5.03 120.51 116.99 1v95 n ALA 121 Ca 0.24 -3.05 0.05 0.00 0.00 0.00 0.00 53.44 50.68 1v95 n ALA 121 Cb 0.15 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.65 0.23 -0.10 0.00 6.06 -1.26 -5.12 118.95 116.11 1v95 s ARG 122 Ca 0.30 0.36 -0.34 0.00 -2.50 0.00 0.00 55.73 53.55 1v95 s ARG 122 Cb 0.42 0.20 -0.12 0.00 0.06 0.00 0.00 34.95 35.51 1v95 s ARG 122 CO -0.00 -0.29 1.89 0.94 -2.50 0.00 0.00 175.30 175.33 1v95 n GLN 123 N 5.40 2.14 -3.65 5.12 7.27 -1.26 -4.90 117.38 127.50 1v95 n GLN 123 Ca -0.03 0.78 -0.00 0.00 0.07 0.00 0.00 57.00 57.82 1v95 n GLN 123 Cb 0.54 -2.63 -0.07 0.00 2.41 0.00 0.00 30.24 30.50 1v95 n GLN 123 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v95 s ALA 124 N 4.15 -2.44 -0.29 1.69 0.00 -1.26 -5.18 121.76 118.43 1v95 s ALA 124 Ca 0.93 1.80 -0.22 0.00 0.00 0.00 0.00 51.96 54.47 1v95 s ALA 124 Cb -0.70 -1.89 0.17 0.00 0.00 0.00 0.00 23.12 20.70 1v95 s ALA 124 CO 0.52 -0.19 1.26 0.45 0.00 0.00 0.00 175.76 177.80 1v95 s SER 125 N 0.46 -0.20 0.00 0.00 0.15 -1.26 -5.11 113.70 107.74 1v95 s SER 125 Ca 0.01 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1v95 s SER 125 Cb -0.04 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1v95 s SER 125 CO -0.13 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1v95 n GLY 126 N 2.27 -1.87 3.77 9.45 0.00 -1.26 -5.18 105.19 112.38 1v95 n GLY 126 Ca -0.13 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.09 -0.11 1.61 0.04 -1.26 -5.09 135.00 130.28 1v95 s PRO 127 Ca 0.00 -0.10 -0.33 0.00 0.04 0.00 0.00 61.00 60.61 1v95 s PRO 127 Cb 0.00 -1.75 0.13 0.00 0.04 0.00 0.00 34.50 32.92 1v95 s PRO 127 CO 0.00 -2.83 1.25 -1.54 0.04 0.00 0.00 177.00 173.92 1v95 s SER 128 N -4.30 -0.09 0.42 6.66 1.04 -1.26 -5.16 113.70 111.00 1v95 s SER 128 Ca 0.70 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1v95 s SER 128 Cb -0.09 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1v95 s SER 128 CO 0.54 -0.26 0.00 -1.20 0.98 0.00 0.00 173.24 173.30 1v95 n SER 129 N -0.28 -5.52 0.00 7.02 7.64 -1.26 -5.37 113.62 115.85 1v95 n SER 129 Ca -0.04 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1v95 n SER 129 Cb 0.60 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 60.54 1v95 n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64