#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 1.67 0.22 1.61 0.01 -1.26 -4.94 113.70 111.02 1v95 s SER 2 Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1v95 s SER 2 Cb 0.00 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1v95 s SER 2 CO 0.00 -0.22 0.00 -1.20 0.41 0.00 0.00 173.24 172.23 1v95 n SER 3 N 5.17 -1.98 0.00 2.44 7.64 -1.26 -5.14 113.62 120.49 1v95 n SER 3 Ca -0.07 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1v95 n SER 3 Cb 0.50 2.05 0.00 0.00 -1.01 0.00 0.00 64.21 65.75 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 -1.36 3.59 1.41 0.23 0.00 -1.26 -5.11 105.19 102.69 1v95 n GLY 4 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1v95 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v95 n SER 5 N 0.00 0.42 -4.09 1.61 2.88 -1.26 -5.04 113.62 108.14 1v95 n SER 5 Ca 0.00 0.19 -0.32 0.00 -1.33 0.00 0.00 58.87 57.41 1v95 n SER 5 Cb 0.00 -0.03 -0.15 0.00 -0.75 0.00 0.00 64.21 63.28 1v95 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v95 s SER 6 N -5.29 4.29 0.58 -3.46 0.15 -1.26 -5.04 113.70 103.67 1v95 s SER 6 Ca 0.00 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.39 1v95 s SER 6 Cb 0.00 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1v95 s SER 6 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1v95 n GLY 7 N 4.48 -3.29 2.26 9.45 0.00 -1.26 -4.11 105.19 112.73 1v95 n GLY 7 Ca -0.15 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 1v95 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v95 n PRO 8 N -3.79 1.99 -1.60 1.61 -0.04 -1.26 -4.72 135.00 127.20 1v95 n PRO 8 Ca -0.06 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1v95 n PRO 8 Cb 0.59 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1v95 n PRO 8 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1v95 n VAL 9 N 3.13 -3.52 -0.08 0.52 0.31 -1.26 -0.44 118.33 117.00 1v95 n VAL 9 Ca 0.43 1.70 -0.17 0.00 -0.01 0.00 0.00 64.34 66.29 1v95 n VAL 9 Cb 0.49 -2.67 -0.13 0.00 -0.91 0.00 0.00 33.84 30.61 1v95 n VAL 9 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1v95 n ASP 10 N -2.23 1.57 -3.36 4.52 9.92 0.40 -3.84 116.55 123.53 1v95 n ASP 10 Ca 0.00 0.01 -0.14 0.00 -0.53 0.00 0.00 54.79 54.13 1v95 n ASP 10 Cb 0.38 -0.24 -0.08 0.00 -0.64 0.00 0.00 41.12 40.54 1v95 n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1v95 s SER 12 N 2.17 7.33 -0.36 0.00 0.01 -0.71 -3.28 113.70 118.87 1v95 s SER 12 Ca 0.11 1.61 -0.19 0.00 1.31 0.00 0.00 55.95 58.80 1v95 s SER 12 Cb -0.14 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1v95 s SER 12 CO -0.24 -0.30 0.57 -0.69 0.41 0.00 0.00 173.24 172.99 1v95 s VAL 13 N 1.26 4.95 -0.44 3.43 1.01 0.87 0.13 120.40 131.62 1v95 s VAL 13 Ca 0.51 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 1v95 s VAL 13 Cb -0.20 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1v95 s VAL 13 CO 0.25 -0.27 0.72 -0.63 0.00 0.00 0.00 175.10 175.17 1v95 s ILE 14 N 2.55 4.73 -0.30 2.22 -1.09 0.36 -1.22 121.20 128.44 1v95 s ILE 14 Ca 0.21 0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 1v95 s ILE 14 Cb -0.15 -4.27 0.08 0.00 -1.58 0.00 0.00 42.46 36.55 1v95 s ILE 14 CO 0.14 -0.66 0.01 0.54 -1.23 0.00 0.00 174.94 173.75 1v95 s VAL 15 N 3.07 1.83 0.05 2.92 0.11 -0.70 0.18 120.40 127.86 1v95 s VAL 15 Ca 0.27 -1.81 -0.12 0.00 -2.93 0.00 0.00 61.98 57.39 1v95 s VAL 15 Cb -0.13 -2.23 -0.33 0.00 -1.53 0.00 0.00 36.38 32.16 1v95 s VAL 15 CO 0.21 -0.41 1.06 -0.37 -3.33 0.00 0.00 175.10 172.25 1v95 h VAL 16 N 6.63 1.36 -4.02 2.04 -1.51 -1.72 -2.27 116.25 116.75 1v95 h VAL 16 Ca -0.11 -2.81 -0.52 0.00 -1.23 0.00 0.00 66.70 62.03 1v95 h VAL 16 Cb 1.03 2.98 0.08 0.00 -2.13 0.00 0.00 31.29 33.26 1v95 h VAL 16 CO 0.48 0.84 0.51 0.20 -1.23 0.00 0.00 177.57 178.36 1v95 s ASN 17 N -7.43 5.86 0.00 4.19 0.01 -1.26 -3.95 114.94 112.36 1v95 s ASN 17 Ca -0.07 2.41 0.22 0.00 -0.71 0.00 0.00 52.86 54.70 1v95 s ASN 17 Cb 0.05 -2.61 0.41 0.00 0.41 0.00 0.00 41.25 39.51 1v95 s ASN 17 CO 0.92 -1.13 1.37 0.29 -1.51 0.00 0.00 177.10 177.04 1v95 n LYS 18 N -0.75 2.45 -0.08 -0.60 4.76 -1.26 -4.14 118.16 118.53 1v95 n LYS 18 Ca 0.09 -2.25 -0.08 0.00 -2.87 0.00 0.00 58.31 53.20 1v95 n LYS 18 Cb 0.48 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 32.03 1v95 n LYS 18 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1v95 n GLN 19 N 1.42 1.04 -1.90 1.97 3.00 -1.26 -4.58 117.38 117.07 1v95 n GLN 19 Ca 0.19 -0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.76 1v95 n GLN 19 Cb 0.59 -1.46 -0.01 0.00 0.00 0.00 0.00 30.24 29.36 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 -2.64 4.94 -0.06 5.09 -2.24 -1.26 -4.54 114.28 113.56 1v95 n THR 20 Ca -0.28 -3.98 -0.03 0.00 -2.27 0.00 0.00 64.05 57.49 1v95 n THR 20 Cb 1.06 -2.22 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 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 4.83 0.00 0.33 -0.78 3.64 -1.85 -3.16 116.57 119.58 1v95 h LYS 21 Ca 0.70 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 60.06 1v95 h LYS 21 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1v95 h LYS 21 CO 1.56 0.00 -0.16 -0.44 -2.27 0.00 0.00 179.45 178.14 1v95 h ASP 22 N -0.95 -0.38 -0.79 4.20 3.32 -1.97 0.85 116.42 120.71 1v95 h ASP 22 Ca 0.00 -0.05 0.19 0.00 0.02 0.00 0.00 57.03 57.19 1v95 h ASP 22 Cb 0.31 0.10 -0.13 0.00 0.22 0.00 0.00 39.33 39.83 1v95 h ASP 22 CO 0.00 -0.19 0.15 0.22 -1.72 0.00 0.00 179.24 177.70 1v95 h TYR 23 N -0.54 0.21 -0.11 4.55 5.03 -1.88 0.26 116.97 124.50 1v95 h TYR 23 Ca -0.05 0.05 -0.22 0.00 2.58 0.00 0.00 58.73 61.09 1v95 h TYR 23 Cb 0.40 0.03 0.01 0.00 1.55 0.00 0.00 36.73 38.72 1v95 h TYR 23 CO -0.03 -0.16 -0.81 0.00 -1.32 0.00 0.00 178.16 175.84 1v95 h ALA 24 N 1.69 0.37 0.00 1.82 0.00 -1.46 -2.83 119.26 118.85 1v95 h ALA 24 Ca 0.46 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1v95 h ALA 24 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1v95 h ALA 24 CO -0.60 0.71 0.21 0.93 0.00 0.00 0.00 179.25 180.51 1v95 h GLU 25 N 0.44 0.00 0.00 0.00 5.08 0.41 -1.21 114.58 119.30 1v95 h GLU 25 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1v95 h GLU 25 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1v95 h GLU 25 CO 0.16 0.00 -0.07 1.03 -1.00 0.00 0.00 179.01 179.12 1v95 h SER 26 N 0.00 0.00 -1.67 1.42 0.87 -0.93 -2.92 113.55 110.32 1v95 h SER 26 Ca 0.00 0.00 0.52 0.00 -1.23 0.00 0.00 61.79 61.08 1v95 h SER 26 Cb 0.43 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.28 1v95 h SER 26 CO 0.00 0.13 1.15 0.55 -0.53 0.00 0.00 176.83 178.13 1v95 n VAL 27 N -2.66 -0.12 -0.03 2.23 3.14 -1.05 0.19 118.33 120.02 1v95 n VAL 27 Ca -0.01 1.63 -0.14 0.00 -2.96 0.00 0.00 64.34 62.86 1v95 n VAL 27 Cb 0.04 -2.69 -0.11 0.00 -1.06 0.00 0.00 33.84 30.02 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 -1.38 -3.02 103.07 108.33 1v95 h GLY 28 Ca 0.90 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 48.02 1v95 h GLY 28 CO -0.23 0.14 -0.27 0.07 0.00 0.00 0.00 176.54 176.25 1v95 h ARG 29 N -0.56 0.00 -0.73 4.80 0.11 0.23 -2.38 114.38 115.85 1v95 h ARG 29 Ca -0.01 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 1v95 h ARG 29 Cb 0.81 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.85 1v95 h ARG 29 CO 0.02 0.27 0.31 0.87 0.10 0.00 0.00 179.97 181.54 1v95 h LYS 30 N 0.00 1.09 0.00 0.08 1.79 0.82 0.09 116.57 120.44 1v95 h LYS 30 Ca -0.00 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.22 1v95 h LYS 30 Cb 0.55 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1v95 h LYS 30 CO 0.03 0.88 -0.30 0.28 -1.08 0.00 0.00 179.45 179.27 1v95 h VAL 31 N 1.05 0.77 -0.01 0.50 2.07 -1.31 -2.60 116.25 116.72 1v95 h VAL 31 Ca 0.25 -1.25 -0.18 0.00 0.82 0.00 0.00 66.70 66.34 1v95 h VAL 31 Cb 0.19 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1v95 h VAL 31 CO -0.02 0.29 -0.79 0.03 0.02 0.00 0.00 177.57 177.09 1v95 h ARG 32 N 0.00 0.15 0.00 1.57 3.08 -0.86 -2.66 114.38 115.66 1v95 h ARG 32 Ca -0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1v95 h ARG 32 Cb 0.76 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1v95 h ARG 32 CO 0.04 0.86 0.00 0.22 -1.07 0.00 0.00 179.97 180.02 1v95 h ASP 33 N 0.09 0.00 0.57 7.04 3.58 -0.62 0.71 116.42 127.80 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 1.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1v95 h ASP 33 CO 0.12 0.00 -0.56 0.18 -2.88 0.00 0.00 179.24 176.10 1v95 n LEU 34 N -2.94 0.54 0.00 2.28 4.77 -1.08 -4.92 117.00 115.65 1v95 n LEU 34 Ca -0.03 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1v95 n LEU 34 Cb 0.08 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1v95 n LEU 34 CO 0.19 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1v95 n GLY 35 N 1.46 1.61 3.37 -0.72 0.00 0.25 -5.09 105.19 106.06 1v95 n GLY 35 Ca 0.05 -0.18 -0.33 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 -1.51 3.20 0.02 1.61 1.00 -1.02 -5.01 119.30 117.58 1v95 s MET 36 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 55.69 54.68 1v95 s MET 36 Cb 0.00 -2.55 -0.07 0.00 0.00 0.00 0.00 34.83 32.21 1v95 s MET 36 CO 0.00 0.28 1.67 0.08 0.00 0.00 0.00 175.02 177.05 1v95 s VAL 37 N 0.16 3.29 0.06 -6.03 1.01 -1.26 -3.42 120.40 114.20 1v95 s VAL 37 Ca -0.08 0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.53 1v95 s VAL 37 Cb -0.15 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1v95 s VAL 37 CO 0.05 -0.02 -0.17 -0.69 0.00 0.00 0.00 175.10 174.26 1v95 s VAL 38 N 3.33 1.38 0.24 2.92 1.01 -1.26 0.15 120.40 128.17 1v95 s VAL 38 Ca 0.74 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1v95 s VAL 38 Cb -0.37 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1v95 s VAL 38 CO 0.32 0.02 0.06 -0.62 0.00 0.00 0.00 175.10 174.88 1v95 s ASP 39 N -1.38 1.32 -0.13 3.32 -1.08 -1.20 -4.98 116.67 112.53 1v95 s ASP 39 Ca 0.04 -1.32 0.01 0.00 -0.52 0.00 0.00 52.55 50.76 1v95 s ASP 39 Cb -0.09 0.12 0.02 0.00 -1.46 0.00 0.00 42.92 41.51 1v95 s ASP 39 CO 0.02 -0.67 -0.17 -0.76 0.52 0.00 0.00 175.17 174.11 1v95 s LEU 40 N -3.29 1.85 -0.41 -1.34 1.02 -1.26 -0.09 118.68 115.17 1v95 s LEU 40 Ca 0.34 -0.51 -0.08 0.00 0.02 0.00 0.00 54.13 53.90 1v95 s LEU 40 Cb 0.07 -1.24 0.08 0.00 0.02 0.00 0.00 46.19 45.12 1v95 s LEU 40 CO 0.11 0.01 0.23 -0.63 0.02 0.00 0.00 176.35 176.10 1v95 s ILE 41 N 1.10 4.03 -0.36 -0.59 1.01 -0.36 -4.99 121.20 121.04 1v95 s ILE 41 Ca -0.03 -1.47 -0.21 0.00 0.00 0.00 0.00 60.65 58.95 1v95 s ILE 41 Cb -0.14 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.84 1v95 s ILE 41 CO -0.05 -0.49 0.65 -0.36 0.00 0.00 0.00 174.94 174.68 1v95 s PHE 42 N 1.38 3.14 0.29 3.97 0.08 -1.25 -1.72 117.98 123.87 1v95 s PHE 42 Ca 0.03 0.34 0.09 0.00 0.12 0.00 0.00 56.93 57.51 1v95 s PHE 42 Cb -0.23 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.01 1v95 s PHE 42 CO 0.01 -0.65 0.06 -0.51 -0.10 0.00 0.00 175.22 174.03 1v95 s LEU 43 N 2.75 3.25 0.26 -0.37 1.43 -0.85 -5.02 118.68 120.13 1v95 s LEU 43 Ca 0.25 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1v95 s LEU 43 Cb -0.14 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1v95 s LEU 43 CO 0.15 -0.10 0.00 -3.20 0.23 0.00 0.00 176.35 173.43 1v95 n ASN 44 N -1.00 -1.07 0.04 2.29 5.15 -1.26 -4.42 115.26 114.99 1v95 n ASN 44 Ca -0.05 0.47 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1v95 n ASN 44 Cb 0.60 1.16 0.00 0.00 -0.53 0.00 0.00 39.78 41.00 1v95 n ASN 44 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1v95 n THR 45 N -3.24 0.19 -1.54 -0.44 -1.04 -1.26 -5.07 114.28 101.88 1v95 n THR 45 Ca 0.00 0.06 -0.59 0.00 -2.04 0.00 0.00 64.05 61.49 1v95 n THR 45 Cb 0.00 -0.95 -0.08 0.00 -1.82 0.00 0.00 70.33 67.48 1v95 n THR 45 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1v95 n GLU 46 N -2.99 0.19 0.00 -2.82 1.02 -1.26 -4.50 120.64 110.29 1v95 n GLU 46 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1v95 n GLU 46 Cb 0.14 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1v95 n GLU 46 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1v95 n VAL 47 N 1.91 0.00 -4.18 2.62 0.24 -1.26 -4.91 118.33 112.76 1v95 n VAL 47 Ca 0.21 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.34 1v95 n VAL 47 Cb 0.09 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.40 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 -3.59 -1.02 0.36 -1.34 7.64 -1.26 -4.97 113.62 109.44 1v95 n SER 48 Ca 0.00 -3.05 -0.19 0.00 1.01 0.00 0.00 58.87 56.64 1v95 n SER 48 Cb 0.00 2.09 -0.10 0.00 -1.01 0.00 0.00 64.21 65.19 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 -1.34 -0.58 -3.43 6.46 -1.97 -2.12 115.31 112.32 1v95 h LEU 49 Ca -0.25 0.09 0.11 0.00 -0.12 0.00 0.00 57.88 57.71 1v95 h LEU 49 Cb 1.19 0.42 -0.11 0.00 -0.73 0.00 0.00 40.66 41.43 1v95 h LEU 49 CO 0.35 -0.72 -0.23 0.77 -0.62 0.00 0.00 178.44 178.00 1v95 h SER 50 N -1.12 -0.81 -1.15 1.25 4.64 -1.98 0.76 113.55 115.14 1v95 h SER 50 Ca -0.08 0.20 0.32 0.00 -0.47 0.00 0.00 61.79 61.76 1v95 h SER 50 Cb 0.93 0.46 -0.08 0.00 -0.31 0.00 0.00 62.40 63.39 1v95 h SER 50 CO 0.02 -0.25 0.77 -0.61 -0.87 0.00 0.00 176.83 175.88 1v95 h GLN 51 N -0.08 0.21 0.02 4.77 5.75 -1.87 1.42 115.11 125.32 1v95 h GLN 51 Ca 0.27 -0.01 -0.22 0.00 -0.15 0.00 0.00 58.65 58.53 1v95 h GLN 51 Cb 0.50 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 1v95 h GLN 51 CO -0.64 0.14 -0.95 0.00 -2.65 0.00 0.00 178.83 174.73 1v95 h ALA 52 N 1.54 0.40 0.33 3.38 0.00 0.11 -2.83 119.26 122.19 1v95 h ALA 52 Ca 0.63 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1v95 h ALA 52 Cb 1.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1v95 h ALA 52 CO -0.22 0.89 -0.16 -0.07 0.00 0.00 0.00 179.25 179.69 1v95 h LEU 53 N 0.15 -0.37 -2.18 0.00 3.38 0.34 0.42 115.31 117.05 1v95 h LEU 53 Ca -0.07 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1v95 h LEU 53 Cb 1.60 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1v95 h LEU 53 CO 0.15 -0.09 0.24 -0.08 0.09 0.00 0.00 178.44 178.75 1v95 h GLU 54 N -0.67 0.00 0.00 1.13 4.81 -0.72 0.53 114.58 119.67 1v95 h GLU 54 Ca -0.04 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1v95 h GLU 54 Cb 0.47 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1v95 h GLU 54 CO 0.07 0.00 -1.07 0.22 -0.73 0.00 0.00 179.01 177.50 1v95 h ASP 55 N 0.00 0.00 0.59 1.04 3.58 -1.17 -3.13 116.42 117.33 1v95 h ASP 55 Ca 0.10 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 1v95 h ASP 55 Cb 0.58 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.63 1v95 h ASP 55 CO -0.00 0.53 -0.29 0.58 -2.88 0.00 0.00 179.24 177.19 1v95 h VAL 56 N 0.00 0.00 0.23 2.25 2.07 0.46 0.48 116.25 121.74 1v95 h VAL 56 Ca -0.10 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1v95 h VAL 56 Cb 1.49 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1v95 h VAL 56 CO 0.05 0.00 -0.45 -1.28 0.02 0.00 0.00 177.57 175.91 1v95 h SER 57 N -1.05 -1.32 -1.03 0.57 0.87 -1.48 -0.03 113.55 110.08 1v95 h SER 57 Ca -0.08 0.13 0.27 0.00 -1.23 0.00 0.00 61.79 60.88 1v95 h SER 57 Cb 0.61 0.47 -0.07 0.00 -0.44 0.00 0.00 62.40 62.97 1v95 h SER 57 CO 0.13 -0.52 0.70 0.08 -0.53 0.00 0.00 176.83 176.69 1v95 h ARG 58 N -0.74 0.24 -0.16 2.24 0.11 -1.64 0.87 114.38 115.31 1v95 h ARG 58 Ca -0.02 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 59.98 1v95 h ARG 58 Cb 0.70 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.71 1v95 h ARG 58 CO -0.18 0.16 -0.16 0.78 0.10 0.00 0.00 179.97 180.67 1v95 h GLY 59 N 0.25 0.28 0.00 0.08 0.00 0.95 -3.47 103.07 101.16 1v95 h GLY 59 Ca 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1v95 h GLY 59 CO -0.17 0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1v95 n GLY 60 N -0.77 3.82 3.06 4.60 0.00 0.30 -4.67 105.19 111.52 1v95 n GLY 60 Ca -0.01 -0.86 -0.56 0.00 0.00 0.00 0.00 46.02 44.60 1v95 n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v95 n SER 61 N 0.00 0.91 0.03 1.61 2.88 0.42 -4.81 113.62 114.68 1v95 n SER 61 Ca 0.00 0.89 -0.16 0.00 -1.33 0.00 0.00 58.87 58.26 1v95 n SER 61 Cb 0.00 -0.75 -0.06 0.00 -0.75 0.00 0.00 64.21 62.64 1v95 n SER 61 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1v95 h PRO 62 N 5.21 0.61 -6.56 -1.46 0.13 -1.74 -3.36 132.00 124.83 1v95 h PRO 62 Ca -0.29 -0.60 -0.67 0.00 -0.87 0.00 0.00 66.00 63.57 1v95 h PRO 62 Cb 1.17 0.16 -0.16 0.00 0.13 0.00 0.00 31.00 32.30 1v95 h PRO 62 CO 0.86 1.21 -0.75 -0.06 -0.23 0.00 0.00 178.00 179.03 1v95 s PHE 63 N -3.44 2.72 -0.09 1.56 0.08 -1.14 0.18 117.98 117.86 1v95 s PHE 63 Ca -0.08 -0.16 -0.05 0.00 0.12 0.00 0.00 56.93 56.76 1v95 s PHE 63 Cb 0.08 -1.43 0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1v95 s PHE 63 CO 0.89 0.42 0.21 0.00 -0.10 0.00 0.00 175.22 176.64 1v95 s ALA 64 N -1.19 -0.45 0.17 5.36 0.00 -0.26 -1.73 121.76 123.65 1v95 s ALA 64 Ca 0.21 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 1v95 s ALA 64 Cb -0.11 -0.54 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 1v95 s ALA 64 CO 0.13 -0.17 0.41 0.42 0.00 0.00 0.00 175.76 176.54 1v95 s ILE 65 N 1.10 5.14 -0.17 0.00 1.01 0.35 -0.89 121.20 127.74 1v95 s ILE 65 Ca -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1v95 s ILE 65 Cb -0.10 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 1v95 s ILE 65 CO -0.07 -0.03 -0.12 0.54 0.00 0.00 0.00 174.94 175.27 1v95 s VAL 66 N -1.73 2.88 -0.13 2.92 0.11 -0.71 0.13 120.40 123.87 1v95 s VAL 66 Ca 0.42 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1v95 s VAL 66 Cb -0.12 -2.25 0.02 0.00 -1.53 0.00 0.00 36.38 32.51 1v95 s VAL 66 CO 0.25 0.49 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.74 1v95 s ILE 67 N 0.99 1.51 0.00 7.04 -1.09 0.48 -3.25 121.20 126.89 1v95 s ILE 67 Ca -0.02 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 1v95 s ILE 67 Cb -0.15 -1.40 0.00 0.00 -1.58 0.00 0.00 42.46 39.33 1v95 s ILE 67 CO -0.02 0.45 0.00 0.35 -1.23 0.00 0.00 174.94 174.49 1v95 n THR 68 N 4.49 0.00 -0.05 2.92 -2.24 -1.26 -2.93 114.28 115.21 1v95 n THR 68 Ca -0.18 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 1v95 n THR 68 Cb 0.51 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 -0.70 -0.78 1.08 -1.99 -3.35 115.11 109.37 1v95 h GLN 69 Ca 0.00 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.33 1v95 h GLN 69 Cb 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.34 1v95 h GLN 69 CO 0.00 0.00 0.25 1.96 -0.95 0.00 0.00 178.83 180.09 1v95 h GLN 70 N -0.69 0.39 -1.12 1.46 4.20 -1.99 0.41 115.11 117.77 1v95 h GLN 70 Ca 0.00 -0.02 0.32 0.00 0.06 0.00 0.00 58.65 59.01 1v95 h GLN 70 Cb 0.31 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 1v95 h GLN 70 CO 0.00 0.25 0.79 0.45 -0.67 0.00 0.00 178.83 179.66 1v95 h HIS 71 N 0.40 0.11 -0.27 2.96 3.86 -1.79 1.30 115.15 121.72 1v95 h HIS 71 Ca 0.38 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.49 1v95 h HIS 71 Cb 0.55 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1v95 h HIS 71 CO -0.19 0.01 -0.28 0.37 0.86 0.00 0.00 177.93 178.70 1v95 h GLN 72 N 0.06 0.54 0.24 2.45 4.15 -0.30 1.34 115.11 123.59 1v95 h GLN 72 Ca 0.55 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.74 1v95 h GLN 72 Cb 2.07 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.74 1v95 h GLN 72 CO -0.06 0.76 -0.12 0.82 -1.93 0.00 0.00 178.83 178.31 1v95 h ILE 73 N 0.47 0.00 0.00 2.39 2.04 0.17 -3.18 117.51 119.40 1v95 h ILE 73 Ca 0.06 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1v95 h ILE 73 Cb 0.72 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1v95 h ILE 73 CO 0.06 0.00 0.00 0.45 0.00 0.00 0.00 178.15 178.66 1v95 h HIS 74 N -0.56 0.00 -5.19 1.37 3.86 -1.38 -3.46 115.15 109.79 1v95 h HIS 74 Ca -0.03 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.88 1v95 h HIS 74 Cb 0.25 0.00 0.15 0.00 1.06 0.00 0.00 27.41 28.86 1v95 h HIS 74 CO 0.06 0.00 -0.67 0.54 0.86 0.00 0.00 177.93 178.72 1v95 n ARG 75 N -2.82 -5.87 -4.05 2.45 3.00 0.44 -5.02 116.66 104.79 1v95 n ARG 75 Ca -0.01 0.74 -0.12 0.00 -0.01 0.00 0.00 57.85 58.45 1v95 n ARG 75 Cb 0.17 -5.44 -0.12 0.00 0.00 0.00 0.00 32.46 27.07 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1v95 s SER 76 N -4.13 0.62 0.46 0.55 0.01 0.06 -4.09 113.70 107.19 1v95 s SER 76 Ca 0.03 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.89 1v95 s SER 76 Cb -0.02 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 1v95 s SER 76 CO 0.64 -0.17 0.02 0.00 0.41 0.00 0.00 173.24 174.13 1v95 s THR 78 N -2.88 2.34 -0.42 0.00 2.01 -1.20 -2.94 115.64 112.55 1v95 s THR 78 Ca 0.17 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 61.10 1v95 s THR 78 Cb 0.04 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.58 1v95 s THR 78 CO 0.09 0.52 0.71 -0.69 -0.69 0.00 0.00 174.62 174.56 1v95 s VAL 79 N 1.16 4.77 -0.23 3.82 1.01 -1.17 -1.74 120.40 128.01 1v95 s VAL 79 Ca 0.01 0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 1v95 s VAL 79 Cb -0.14 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 1v95 s VAL 79 CO -0.08 -0.56 -0.01 0.20 0.00 0.00 0.00 175.10 174.66 1v95 s ASN 80 N 1.99 4.57 0.16 3.32 -0.87 -0.07 -1.61 114.94 122.43 1v95 s ASN 80 Ca 0.27 -0.36 -0.16 0.00 -1.57 0.00 0.00 52.86 51.04 1v95 s ASN 80 Cb -0.13 -1.80 -0.07 0.00 -0.02 0.00 0.00 41.25 39.23 1v95 s ASN 80 CO 0.19 -0.03 0.59 -0.63 -2.57 0.00 0.00 177.10 174.65 1v95 s ILE 81 N 1.52 4.78 -0.08 0.60 1.01 -0.66 -1.10 121.20 127.27 1v95 s ILE 81 Ca 0.06 0.96 0.08 0.00 0.00 0.00 0.00 60.65 61.75 1v95 s ILE 81 Cb -0.15 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 38.43 1v95 s ILE 81 CO -0.01 0.25 0.06 0.23 0.00 0.00 0.00 174.94 175.47 1v95 n MET 82 N 0.83 2.16 -3.37 2.79 2.81 0.48 -4.47 117.12 118.36 1v95 n MET 82 Ca -0.05 -0.02 -0.30 0.00 -1.81 0.00 0.00 57.70 55.52 1v95 n MET 82 Cb 0.52 -1.23 -0.04 0.00 -0.71 0.00 0.00 33.22 31.75 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 -2.29 3.46 0.00 2.03 -0.12 -1.24 -4.96 117.98 114.85 1v95 s PHE 83 Ca -0.04 0.74 0.00 0.00 -0.05 0.00 0.00 56.93 57.57 1v95 s PHE 83 Cb 0.03 -2.17 0.00 0.00 -0.63 0.00 0.00 43.02 40.25 1v95 s PHE 83 CO 0.38 0.21 0.00 0.41 -0.05 0.00 0.00 175.22 176.17 1v95 n GLY 84 N -0.58 -0.66 3.05 1.99 0.00 -1.26 -4.76 105.19 102.98 1v95 n GLY 84 Ca -0.01 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.66 0.63 -2.31 2.61 -1.04 -1.26 -4.71 114.28 106.54 1v95 n THR 85 Ca 0.00 -0.46 -0.34 0.00 -2.04 0.00 0.00 64.05 61.21 1v95 n THR 85 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 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 -0.92 3.11 -0.28 -2.82 0.04 -1.26 -4.87 135.00 128.00 1v95 s PRO 86 Ca 0.55 -0.86 -0.07 0.00 0.04 0.00 0.00 61.00 60.66 1v95 s PRO 86 Cb -0.60 -5.24 -0.00 0.00 0.04 0.00 0.00 34.50 28.69 1v95 s PRO 86 CO 0.58 -2.84 0.07 -0.65 0.04 0.00 0.00 177.00 174.20 1v95 s GLN 87 N 5.87 3.26 -0.34 4.56 -1.52 -1.26 -5.05 119.66 125.17 1v95 s GLN 87 Ca 0.58 -0.74 0.02 0.00 -1.95 0.00 0.00 55.36 53.27 1v95 s GLN 87 Cb -0.02 -3.34 0.10 0.00 -0.22 0.00 0.00 33.01 29.53 1v95 s GLN 87 CO -0.03 -0.36 0.09 -2.00 -0.25 0.00 0.00 175.29 172.75 1v95 s GLU 88 N 1.53 1.15 -0.03 2.91 2.12 -1.26 -1.66 118.70 123.46 1v95 s GLU 88 Ca 0.04 -1.57 -0.30 0.00 0.36 0.00 0.00 54.97 53.50 1v95 s GLU 88 Cb -0.16 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 1v95 s GLU 88 CO 0.02 -0.98 1.22 -1.01 -0.54 0.00 0.00 175.26 173.97 1v95 s HIS 89 N 1.12 3.20 -0.09 5.30 3.76 -0.63 -5.00 115.29 122.94 1v95 s HIS 89 Ca 0.11 1.19 0.02 0.00 -0.15 0.00 0.00 55.06 56.23 1v95 s HIS 89 Cb -0.19 -3.44 -0.02 0.00 1.11 0.00 0.00 32.58 30.04 1v95 s HIS 89 CO -0.15 -1.40 -0.13 1.03 -0.85 0.00 0.00 174.74 173.24 1v95 s ARG 90 N 2.04 2.97 -0.28 1.40 0.52 -1.26 -3.06 118.95 121.28 1v95 s ARG 90 Ca 0.57 -0.69 -0.00 0.00 -0.52 0.00 0.00 55.73 55.09 1v95 s ARG 90 Cb -0.26 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1v95 s ARG 90 CO 0.24 0.41 0.27 -1.71 0.02 0.00 0.00 175.30 174.53 1v95 n ASN 91 N 2.94 -4.25 -3.95 0.23 2.85 -1.26 -5.07 115.26 106.75 1v95 n ASN 91 Ca -0.18 -0.01 -0.22 0.00 -0.11 0.00 0.00 54.58 54.06 1v95 n ASN 91 Cb 0.52 -2.67 -0.16 0.00 1.24 0.00 0.00 39.78 38.71 1v95 n ASN 91 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1v95 s MET 92 N -2.92 1.23 0.92 1.20 -1.94 -1.15 -5.06 119.30 111.59 1v95 s MET 92 Ca 0.01 -0.24 -0.13 0.00 -1.71 0.00 0.00 55.69 53.62 1v95 s MET 92 Cb -0.00 -1.13 0.14 0.00 2.01 0.00 0.00 34.83 35.86 1v95 s MET 92 CO 0.29 -0.05 1.14 -1.25 -0.01 0.00 0.00 175.02 175.14 1v95 s PRO 93 N 0.88 1.05 0.03 2.03 0.04 -1.26 -1.42 135.00 136.35 1v95 s PRO 93 Ca -0.11 0.25 -0.14 0.00 0.04 0.00 0.00 61.00 61.04 1v95 s PRO 93 Cb -0.15 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1v95 s PRO 93 CO 0.01 -2.25 1.22 0.37 0.04 0.00 0.00 177.00 176.39 1v95 h GLN 94 N -1.54 -0.42 0.00 4.56 5.75 -1.93 0.48 115.11 122.00 1v95 h GLN 94 Ca -0.50 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1v95 h GLN 94 Cb 1.33 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.97 1v95 h GLN 94 CO 0.60 -0.28 0.00 0.00 -2.65 0.00 0.00 178.83 176.50 1v95 n ALA 95 N -2.40 0.00 -0.17 3.38 0.00 -1.26 0.20 120.51 120.26 1v95 n ALA 95 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1v95 n ALA 95 Cb 0.19 0.43 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.63 -0.70 0.00 5.19 -1.95 0.21 116.42 117.55 1v95 h ASP 96 Ca 0.00 0.24 0.13 0.00 -0.62 0.00 0.00 57.03 56.78 1v95 h ASP 96 Cb 0.00 0.70 -0.13 0.00 0.18 0.00 0.00 39.33 40.08 1v95 h ASP 96 CO 0.00 -0.37 -0.25 0.00 -3.12 0.00 0.00 179.24 175.51 1v95 h ALA 97 N 0.33 0.29 -0.18 3.45 0.00 0.25 1.85 119.26 125.24 1v95 h ALA 97 Ca 0.13 0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.33 1v95 h ALA 97 Cb 0.58 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1v95 h ALA 97 CO -0.63 -0.51 0.15 0.52 0.00 0.00 0.00 179.25 178.78 1v95 h MET 98 N -0.06 0.00 0.06 0.00 2.86 0.51 0.64 114.93 118.95 1v95 h MET 98 Ca 0.31 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.78 1v95 h MET 98 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1v95 h MET 98 CO -0.74 0.00 -0.85 -0.24 1.06 0.00 0.00 176.91 176.14 1v95 h VAL 99 N 0.00 1.31 0.00 -2.22 3.04 0.45 0.50 116.25 119.33 1v95 h VAL 99 Ca 0.08 -2.35 -0.01 0.00 -1.01 0.00 0.00 66.70 63.41 1v95 h VAL 99 Cb 0.39 2.88 -0.00 0.00 -2.01 0.00 0.00 31.29 32.54 1v95 h VAL 99 CO -0.00 0.58 -0.07 0.25 -1.01 0.00 0.00 177.57 177.32 1v95 h LEU 100 N -0.70 0.00 0.05 3.16 6.46 0.28 1.42 115.31 125.97 1v95 h LEU 100 Ca -0.20 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.37 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 0.07 -0.98 1.62 -0.62 0.00 0.00 178.44 178.51 1v95 h VAL 101 N 0.00 1.21 -0.73 1.05 3.04 0.18 -2.59 116.25 118.41 1v95 h VAL 101 Ca -0.00 -2.32 -0.03 0.00 -1.01 0.00 0.00 66.70 63.34 1v95 h VAL 101 Cb 0.13 2.75 -0.03 0.00 -2.01 0.00 0.00 31.29 32.12 1v95 h VAL 101 CO 0.01 0.55 0.34 0.00 -1.01 0.00 0.00 177.57 177.46 1v95 h ALA 102 N -0.17 0.94 -0.37 3.17 0.00 -0.48 -0.07 119.26 122.28 1v95 h ALA 102 Ca -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1v95 h ALA 102 Cb 1.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1v95 h ALA 102 CO -0.04 0.51 0.00 0.54 0.00 0.00 0.00 179.25 180.26 1v95 n ARG 103 N -4.40 0.00 -0.37 0.00 5.12 0.48 -2.21 116.66 115.28 1v95 n ARG 103 Ca 0.06 0.44 -0.11 0.00 -1.93 0.00 0.00 57.85 56.31 1v95 n ARG 103 Cb 0.14 -1.30 -0.10 0.00 -1.16 0.00 0.00 32.46 30.05 1v95 n ARG 103 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1v95 h ASN 104 N 0.00 -2.03 -0.84 0.55 2.35 -1.52 0.37 115.58 114.46 1v95 h ASN 104 Ca 0.00 0.30 0.08 0.00 -0.55 0.00 0.00 56.30 56.13 1v95 h ASN 104 Cb 0.00 0.89 -0.10 0.00 0.05 0.00 0.00 38.32 39.16 1v95 h ASN 104 CO 0.00 -0.24 -0.50 0.00 -1.65 0.00 0.00 177.43 175.05 1v95 n TYR 105 N -5.15 -0.37 -0.34 1.19 9.36 -0.04 0.93 117.16 122.74 1v95 n TYR 105 Ca 0.01 1.05 0.12 0.00 3.32 0.00 0.00 57.90 62.41 1v95 n TYR 105 Cb 0.26 -0.56 0.25 0.00 -0.63 0.00 0.00 39.34 38.65 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 0.01 0.44 2.98 4.39 -0.45 0.26 114.58 122.22 1v95 h GLU 106 Ca 0.13 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1v95 h GLU 106 Cb 0.35 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1v95 h GLU 106 CO -0.79 0.01 -0.21 -0.09 -1.16 0.00 0.00 179.01 176.77 1v95 h ARG 107 N 0.01 -0.57 -1.32 2.33 9.65 0.92 -2.89 114.38 122.51 1v95 h ARG 107 Ca 0.56 0.04 0.46 0.00 -1.10 0.00 0.00 59.98 59.94 1v95 h ARG 107 Cb 1.10 0.13 -0.13 0.00 -1.39 0.00 0.00 29.97 29.68 1v95 h ARG 107 CO -0.93 -0.38 0.85 0.98 2.80 0.00 0.00 179.97 183.30 1v95 n TYR 108 N -4.84 0.65 -0.01 2.20 9.36 0.15 0.21 117.16 124.88 1v95 n TYR 108 Ca -0.07 0.66 -0.13 0.00 3.32 0.00 0.00 57.90 61.68 1v95 n TYR 108 Cb 0.23 -1.09 -0.09 0.00 -0.63 0.00 0.00 39.34 37.76 1v95 n TYR 108 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1v95 h LYS 109 N 0.00 0.05 -1.03 2.98 3.64 -0.52 -1.73 116.57 119.96 1v95 h LYS 109 Ca 0.84 -0.02 0.28 0.00 -1.27 0.00 0.00 60.65 60.48 1v95 h LYS 109 Cb 2.72 -0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 34.41 1v95 h LYS 109 CO -0.43 0.41 0.61 -2.95 -2.27 0.00 0.00 179.45 174.82 1v95 h ASN 110 N -0.32 0.57 0.74 4.20 7.08 0.27 1.56 115.58 129.68 1v95 h ASN 110 Ca 0.01 0.15 -0.14 0.00 -3.08 0.00 0.00 56.30 53.24 1v95 h ASN 110 Cb 0.40 0.07 -0.02 0.00 -2.08 0.00 0.00 38.32 36.68 1v95 h ASN 110 CO 0.00 0.01 -0.65 -0.33 -2.08 0.00 0.00 177.43 174.38 1v95 h GLU 111 N 0.45 0.00 -0.03 4.14 4.39 -1.14 -3.15 114.58 119.23 1v95 h GLU 111 Ca 0.68 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.39 1v95 h GLU 111 Cb 1.48 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.10 1v95 h GLU 111 CO -0.49 0.65 -0.31 0.00 -1.16 0.00 0.00 179.01 177.71 1v95 h ARG 113 N -0.36 0.72 -0.08 0.00 -0.00 -1.56 0.69 114.38 113.79 1v95 h ARG 113 Ca 0.01 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1v95 h ARG 113 Cb 0.40 -0.16 -0.00 0.00 0.00 0.00 0.00 29.97 30.21 1v95 h ARG 113 CO -0.22 0.48 0.05 1.49 0.00 0.00 0.00 179.97 181.76 1v95 h GLU 114 N 0.74 0.11 -2.34 0.04 4.81 -0.93 -3.37 114.58 113.64 1v95 h GLU 114 Ca 0.55 -0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 59.20 1v95 h GLU 114 Cb 0.87 -0.02 -0.37 0.00 0.63 0.00 0.00 28.75 29.86 1v95 h GLU 114 CO -0.32 0.09 -0.93 0.21 -0.73 0.00 0.00 179.01 177.33 1v95 s LYS 115 N -6.09 0.84 -0.09 1.92 2.36 0.28 -4.91 119.74 114.05 1v95 s LYS 115 Ca -0.13 -1.91 0.13 0.00 -2.55 0.00 0.00 55.97 51.52 1v95 s LYS 115 Cb 0.07 -1.32 -0.19 0.00 -1.05 0.00 0.00 37.83 35.33 1v95 s LYS 115 CO 0.67 -1.35 0.16 -0.85 1.55 0.00 0.00 175.35 175.53 1v95 n GLU 116 N 3.08 1.25 -1.57 4.03 0.28 0.22 -4.60 120.64 123.33 1v95 n GLU 116 Ca 0.26 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 1v95 n GLU 116 Cb 0.46 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 31.98 1v95 n GLU 116 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1v95 n ARG 117 N -2.31 -4.41 -0.81 3.44 5.12 -1.26 -4.88 116.66 111.54 1v95 n ARG 117 Ca -0.15 3.32 -0.34 0.00 -1.93 0.00 0.00 57.85 58.76 1v95 n ARG 117 Cb 0.72 -3.85 0.10 0.00 -1.16 0.00 0.00 32.46 28.28 1v95 n ARG 117 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1v95 n GLU 118 N -1.37 -0.90 -1.85 5.56 2.13 -1.26 -4.91 120.64 118.03 1v95 n GLU 118 Ca 0.00 -0.26 -0.21 0.00 0.66 0.00 0.00 57.16 57.35 1v95 n GLU 118 Cb 0.13 -1.35 0.04 0.00 0.27 0.00 0.00 31.44 30.53 1v95 n GLU 118 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1v95 n GLU 119 N 0.09 3.38 -1.44 5.31 -0.58 -1.26 -5.07 120.64 121.07 1v95 n GLU 119 Ca -0.00 -4.06 -0.41 0.00 -0.42 0.00 0.00 57.16 52.27 1v95 n GLU 119 Cb 0.65 -2.21 0.01 0.00 -0.57 0.00 0.00 31.44 29.33 1v95 n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1v95 n ILE 120 N -0.76 1.70 0.12 -3.67 5.41 -1.26 -4.84 119.36 116.07 1v95 n ILE 120 Ca 0.42 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1v95 n ILE 120 Cb 0.94 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 39.35 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 -1.04 0.19 -3.02 -1.39 0.00 -1.26 -4.90 120.51 109.08 1v95 n ALA 121 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 1v95 n ALA 121 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 1v95 n ALA 121 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1v95 n ARG 122 N -3.00 -1.48 -3.62 0.00 0.63 -1.26 -5.03 116.66 102.90 1v95 n ARG 122 Ca 0.00 1.52 -0.08 0.00 -0.92 0.00 0.00 57.85 58.37 1v95 n ARG 122 Cb 0.00 -2.52 -0.06 0.00 0.45 0.00 0.00 32.46 30.33 1v95 n ARG 122 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1v95 s GLN 123 N -1.15 0.43 -0.65 -0.14 -2.07 -1.26 -5.03 119.66 109.79 1v95 s GLN 123 Ca -0.01 0.33 -0.15 0.00 -1.82 0.00 0.00 55.36 53.71 1v95 s GLN 123 Cb 0.00 0.21 0.02 0.00 -1.09 0.00 0.00 33.01 32.15 1v95 s GLN 123 CO 0.28 -0.09 0.64 0.00 -1.32 0.00 0.00 175.29 174.80 1v95 n ALA 124 N 1.51 -2.61 -1.68 2.60 0.00 -1.26 -4.74 120.51 114.32 1v95 n ALA 124 Ca -0.10 0.11 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1v95 n ALA 124 Cb 0.57 -1.63 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.46 3.73 -3.53 0.00 7.64 -1.26 -4.96 113.62 113.79 1v95 n SER 125 Ca -0.16 1.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.57 1v95 n SER 125 Cb 0.65 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.31 1v95 n SER 125 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v95 s GLY 126 N 2.77 -0.47 0.49 0.23 0.00 -1.26 -5.16 107.32 103.92 1v95 s GLY 126 Ca 0.84 1.52 -0.20 0.00 0.00 0.00 0.00 44.72 46.88 1v95 s GLY 126 CO 0.41 0.92 1.04 2.56 0.00 0.00 0.00 173.10 178.03 1v95 s PRO 127 N -1.35 3.78 -0.10 2.90 0.04 -1.26 -5.06 135.00 133.94 1v95 s PRO 127 Ca -0.07 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 1v95 s PRO 127 Cb -0.00 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.49 1v95 s PRO 127 CO 0.05 -0.45 0.23 0.45 0.04 0.00 0.00 177.00 177.32 1v95 s SER 128 N -2.03 -0.14 -0.01 6.66 0.15 -1.26 -5.15 113.70 111.91 1v95 s SER 128 Ca 0.67 0.49 -0.05 0.00 0.70 0.00 0.00 55.95 57.76 1v95 s SER 128 Cb -0.16 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1v95 s SER 128 CO 0.21 -0.17 0.22 -0.44 1.20 0.00 0.00 173.24 174.25 1v95 s SER 129 N 1.40 6.43 0.00 5.45 0.01 -1.26 -5.36 113.70 120.37 1v95 s SER 129 Ca -0.08 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1v95 s SER 129 Cb -0.11 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1v95 s SER 129 CO -0.08 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.45