#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 -0.11 0.12 1.61 1.04 -1.26 -4.83 113.70 110.27 1v95 s SER 2 Ca 0.00 0.13 -0.32 0.00 0.48 0.00 0.00 55.95 56.24 1v95 s SER 2 Cb 0.00 0.11 -0.10 0.00 0.10 0.00 0.00 66.02 66.13 1v95 s SER 2 CO 0.00 -0.08 1.57 -1.28 0.98 0.00 0.00 173.24 174.42 1v95 h SER 3 N 2.39 -1.53 -0.31 7.02 0.87 -1.99 -3.38 113.55 116.61 1v95 h SER 3 Ca -0.14 0.19 -0.27 0.00 -1.23 0.00 0.00 61.79 60.34 1v95 h SER 3 Cb 1.18 0.60 -0.18 0.00 -0.44 0.00 0.00 62.40 63.57 1v95 h SER 3 CO 0.22 -0.48 -0.58 0.61 -0.53 0.00 0.00 176.83 176.08 1v95 n GLY 4 N -1.45 0.62 2.89 5.77 0.00 -1.26 -5.06 105.19 106.70 1v95 n GLY 4 Ca -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 1.28 -5.10 0.00 1.61 2.88 -1.26 -4.91 113.62 108.12 1v95 n SER 5 Ca 0.10 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1v95 n SER 5 Cb 0.64 -3.37 0.00 0.00 -0.75 0.00 0.00 64.21 60.73 1v95 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v95 n SER 6 N 1.79 0.00 -1.45 -3.46 2.88 -1.26 -5.15 113.62 106.96 1v95 n SER 6 Ca -0.14 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.50 1v95 n SER 6 Cb 0.31 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.71 1v95 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v95 n GLY 7 N 0.00 -3.32 3.79 0.46 0.00 -1.26 -4.84 105.19 100.01 1v95 n GLY 7 Ca 0.00 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.74 4.02 -0.14 1.61 0.04 -1.24 -4.89 135.00 129.67 1v95 s PRO 8 Ca 0.00 1.46 -0.00 0.00 0.04 0.00 0.00 61.00 62.50 1v95 s PRO 8 Cb 0.00 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 32.19 1v95 s PRO 8 CO 0.00 -0.25 -0.10 0.08 0.04 0.00 0.00 177.00 176.76 1v95 s VAL 9 N -1.78 1.30 0.29 -0.36 1.01 -1.26 -4.92 120.40 114.68 1v95 s VAL 9 Ca 0.61 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1v95 s VAL 9 Cb -0.20 -1.28 0.36 0.00 0.00 0.00 0.00 36.38 35.25 1v95 s VAL 9 CO 0.25 0.38 1.61 0.44 0.00 0.00 0.00 175.10 177.78 1v95 h ASP 10 N 8.11 -0.29 -2.11 3.32 5.19 -1.39 -3.32 116.42 125.93 1v95 h ASP 10 Ca -0.33 0.24 -0.22 0.00 -0.62 0.00 0.00 57.03 56.10 1v95 h ASP 10 Cb 1.13 0.39 -0.32 0.00 0.18 0.00 0.00 39.33 40.71 1v95 h ASP 10 CO 0.46 -0.27 -0.54 0.00 -3.12 0.00 0.00 179.24 175.77 1v95 s SER 12 N 2.46 6.61 -0.19 0.00 0.01 -0.78 -3.30 113.70 118.51 1v95 s SER 12 Ca 0.10 0.72 -0.17 0.00 1.31 0.00 0.00 55.95 57.91 1v95 s SER 12 Cb -0.15 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1v95 s SER 12 CO -0.17 0.21 0.46 -0.69 0.41 0.00 0.00 173.24 173.46 1v95 s VAL 13 N -0.31 5.16 -0.38 3.43 1.01 0.13 -0.47 120.40 128.98 1v95 s VAL 13 Ca 0.20 0.84 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 1v95 s VAL 13 Cb -0.15 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1v95 s VAL 13 CO 0.08 0.24 0.20 -0.63 0.00 0.00 0.00 175.10 174.99 1v95 s ILE 14 N 1.32 4.40 -0.35 2.22 -1.09 0.52 -0.68 121.20 127.54 1v95 s ILE 14 Ca 0.22 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1v95 s ILE 14 Cb -0.15 -3.50 0.09 0.00 -1.58 0.00 0.00 42.46 37.32 1v95 s ILE 14 CO 0.09 -0.28 0.07 0.54 -1.23 0.00 0.00 174.94 174.13 1v95 s VAL 15 N 1.51 2.58 0.11 2.92 0.11 -0.60 0.39 120.40 127.42 1v95 s VAL 15 Ca 0.01 -2.13 -0.08 0.00 -2.93 0.00 0.00 61.98 56.86 1v95 s VAL 15 Cb -0.20 -2.79 -0.19 0.00 -1.53 0.00 0.00 36.38 31.67 1v95 s VAL 15 CO 0.05 -0.52 1.28 -0.37 -3.33 0.00 0.00 175.10 172.21 1v95 h VAL 16 N 6.55 1.35 -3.04 2.04 -1.51 -1.81 -2.46 116.25 117.37 1v95 h VAL 16 Ca -0.09 -2.32 -0.55 0.00 -1.23 0.00 0.00 66.70 62.51 1v95 h VAL 16 Cb 1.03 2.35 -0.01 0.00 -2.13 0.00 0.00 31.29 32.53 1v95 h VAL 16 CO 0.56 0.70 0.72 0.21 -1.23 0.00 0.00 177.57 178.54 1v95 s ASN 17 N -7.14 6.99 -0.24 4.19 3.84 -1.26 -2.94 114.94 118.37 1v95 s ASN 17 Ca -0.07 1.96 -0.05 0.00 0.21 0.00 0.00 52.86 54.91 1v95 s ASN 17 Cb 0.08 -2.56 -0.08 0.00 -0.55 0.00 0.00 41.25 38.14 1v95 s ASN 17 CO 0.88 -0.61 3.11 1.17 -2.79 0.00 0.00 177.10 178.87 1v95 n LYS 18 N 5.01 2.17 0.00 0.43 3.00 -1.26 -3.67 118.16 123.85 1v95 n LYS 18 Ca 0.11 -1.67 0.00 0.00 -0.00 0.00 0.00 58.31 56.75 1v95 n LYS 18 Cb 0.45 -2.04 0.00 0.00 0.00 0.00 0.00 35.03 33.44 1v95 n LYS 18 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1v95 n GLN 19 N 1.59 0.00 -0.65 1.64 -0.06 -1.26 -4.92 117.38 113.72 1v95 n GLN 19 Ca 0.45 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 55.25 1v95 n GLN 19 Cb 0.71 -0.02 -0.02 0.00 -4.06 0.00 0.00 30.24 26.86 1v95 n GLN 19 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1v95 n THR 20 N -2.47 2.09 -0.01 1.69 -2.24 -1.24 -4.40 114.28 107.71 1v95 n THR 20 Ca 0.00 -1.26 -0.00 0.00 -2.27 0.00 0.00 64.05 60.52 1v95 n THR 20 Cb 0.00 -2.05 -0.00 0.00 -2.10 0.00 0.00 70.33 66.18 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 6.58 0.00 -0.38 -0.78 3.64 -1.91 -2.60 116.57 121.12 1v95 h LYS 21 Ca 0.43 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.88 1v95 h LYS 21 Cb 0.15 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.88 1v95 h LYS 21 CO 1.40 0.00 -0.38 -0.44 -2.27 0.00 0.00 179.45 177.76 1v95 h ASP 22 N -0.16 -1.25 0.14 4.20 5.19 -1.97 1.23 116.42 123.80 1v95 h ASP 22 Ca 0.00 0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1v95 h ASP 22 Cb 0.02 0.56 -0.04 0.00 0.18 0.00 0.00 39.33 40.05 1v95 h ASP 22 CO 0.00 -0.35 -0.42 0.22 -3.12 0.00 0.00 179.24 175.57 1v95 h TYR 23 N -0.30 -1.22 -0.91 4.55 5.03 -1.89 -0.51 116.97 121.72 1v95 h TYR 23 Ca 0.15 0.03 0.16 0.00 2.58 0.00 0.00 58.73 61.65 1v95 h TYR 23 Cb 0.57 0.52 -0.10 0.00 1.55 0.00 0.00 36.73 39.26 1v95 h TYR 23 CO -0.57 -0.49 0.50 0.00 -1.32 0.00 0.00 178.16 176.28 1v95 h ALA 24 N -0.79 1.41 0.00 1.82 0.00 -1.00 1.27 119.26 121.97 1v95 h ALA 24 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1v95 h ALA 24 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1v95 h ALA 24 CO -0.21 -0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.39 1v95 n GLU 25 N -4.82 0.05 -0.01 0.00 1.02 0.42 -1.51 120.64 115.80 1v95 n GLU 25 Ca 0.19 0.48 -0.01 0.00 -0.02 0.00 0.00 57.16 57.80 1v95 n GLU 25 Cb 0.46 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1v95 n GLU 25 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1v95 h SER 26 N 0.00 0.00 -1.08 1.62 0.87 0.31 -2.99 113.55 112.28 1v95 h SER 26 Ca 0.00 0.00 0.31 0.00 -1.23 0.00 0.00 61.79 60.87 1v95 h SER 26 Cb 0.09 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 1v95 h SER 26 CO 0.00 0.10 0.84 1.62 -0.53 0.00 0.00 176.83 178.86 1v95 h VAL 27 N -0.15 0.35 -0.02 2.23 3.04 -1.36 1.62 116.25 121.96 1v95 h VAL 27 Ca 0.00 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.49 1v95 h VAL 27 Cb 0.06 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 1v95 h VAL 27 CO 0.00 0.00 -0.84 1.23 -1.01 0.00 0.00 177.57 176.95 1v95 h GLY 28 N 0.00 0.32 1.74 3.17 0.00 -1.42 -3.13 103.07 103.75 1v95 h GLY 28 Ca 0.51 -0.53 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 1v95 h GLY 28 CO -0.01 0.47 -1.18 0.07 0.00 0.00 0.00 176.54 175.90 1v95 h ARG 29 N 0.17 0.05 -0.19 4.80 0.11 0.22 -3.23 114.38 116.31 1v95 h ARG 29 Ca -0.05 -0.09 0.01 0.00 0.10 0.00 0.00 59.98 59.96 1v95 h ARG 29 Cb 1.45 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.56 1v95 h ARG 29 CO 0.14 0.96 0.13 0.87 0.10 0.00 0.00 179.97 182.16 1v95 h LYS 30 N 0.01 0.20 0.00 0.08 1.79 0.18 0.21 116.57 119.04 1v95 h LYS 30 Ca -0.08 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.25 1v95 h LYS 30 Cb 1.85 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 32.44 1v95 h LYS 30 CO 0.13 0.13 -0.59 0.28 -1.08 0.00 0.00 179.45 178.32 1v95 h VAL 31 N 0.21 1.17 -0.02 0.50 2.07 -1.56 -3.06 116.25 115.55 1v95 h VAL 31 Ca 0.08 -2.25 -0.16 0.00 0.82 0.00 0.00 66.70 65.18 1v95 h VAL 31 Cb 0.05 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1v95 h VAL 31 CO -0.01 0.58 -0.73 0.03 0.02 0.00 0.00 177.57 177.46 1v95 h ARG 32 N 0.00 0.16 0.00 1.57 3.08 -0.68 -2.68 114.38 115.82 1v95 h ARG 32 Ca -0.01 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1v95 h ARG 32 Cb 1.26 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1v95 h ARG 32 CO 0.08 0.82 0.00 0.22 -1.07 0.00 0.00 179.97 180.01 1v95 h ASP 33 N 0.10 0.00 0.60 7.04 3.58 -1.02 0.72 116.42 127.44 1v95 h ASP 33 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1v95 h ASP 33 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1v95 h ASP 33 CO 0.11 0.00 -0.50 0.18 -2.88 0.00 0.00 179.24 176.15 1v95 n LEU 34 N -2.97 0.50 0.00 2.28 4.77 -1.04 -4.92 117.00 115.63 1v95 n LEU 34 Ca -0.03 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1v95 n LEU 34 Cb 0.08 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 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 1.47 1.16 3.59 -0.72 0.00 0.25 -5.08 105.19 105.84 1v95 n GLY 35 Ca 0.05 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.88 3.50 -0.10 1.61 1.00 -1.04 -5.01 119.30 118.38 1v95 s MET 36 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 55.69 54.95 1v95 s MET 36 Cb 0.00 -2.93 -0.05 0.00 0.00 0.00 0.00 34.83 31.85 1v95 s MET 36 CO 0.00 0.40 1.77 0.08 0.00 0.00 0.00 175.02 177.27 1v95 s VAL 37 N -0.05 3.44 0.06 -6.03 1.01 -1.26 -3.52 120.40 114.05 1v95 s VAL 37 Ca 0.03 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.58 1v95 s VAL 37 Cb -0.13 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1v95 s VAL 37 CO 0.02 -0.11 -0.15 -0.69 0.00 0.00 0.00 175.10 174.17 1v95 s VAL 38 N 4.92 1.19 0.17 2.92 1.01 -1.26 -0.93 120.40 128.41 1v95 s VAL 38 Ca 0.79 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1v95 s VAL 38 Cb -0.33 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1v95 s VAL 38 CO 0.32 -0.10 0.11 -0.62 0.00 0.00 0.00 175.10 174.81 1v95 s ASP 39 N -1.50 0.21 -0.14 3.32 2.15 -1.21 -4.98 116.67 114.52 1v95 s ASP 39 Ca 0.00 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 51.70 1v95 s ASP 39 Cb -0.09 0.35 -0.01 0.00 -0.30 0.00 0.00 42.92 42.87 1v95 s ASP 39 CO 0.02 -0.80 -0.15 -0.76 -0.17 0.00 0.00 175.17 173.32 1v95 s LEU 40 N -3.11 2.58 -0.32 -1.34 1.02 -1.26 -0.69 118.68 115.56 1v95 s LEU 40 Ca 0.32 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 54.04 1v95 s LEU 40 Cb 0.07 -1.58 0.06 0.00 0.02 0.00 0.00 46.19 44.76 1v95 s LEU 40 CO 0.07 0.13 0.04 -0.63 0.02 0.00 0.00 176.35 175.98 1v95 s ILE 41 N 0.56 3.13 -0.10 -0.59 1.01 0.15 -4.96 121.20 120.40 1v95 s ILE 41 Ca -0.09 -1.43 -0.16 0.00 0.00 0.00 0.00 60.65 58.97 1v95 s ILE 41 Cb -0.16 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 1v95 s ILE 41 CO 0.04 -0.18 0.41 -0.36 0.00 0.00 0.00 174.94 174.84 1v95 s PHE 42 N 1.26 3.56 0.00 3.97 0.08 -1.26 -1.55 117.98 124.03 1v95 s PHE 42 Ca -0.03 0.84 0.00 0.00 0.12 0.00 0.00 56.93 57.86 1v95 s PHE 42 Cb -0.20 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1v95 s PHE 42 CO -0.01 0.31 0.00 1.28 -0.10 0.00 0.00 175.22 176.70 1v95 n LEU 43 N 3.15 0.00 -1.21 -0.37 4.77 -0.93 -4.99 117.00 117.43 1v95 n LEU 43 Ca -0.10 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1v95 n LEU 43 Cb 0.52 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1v95 n LEU 43 CO 0.41 0.00 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.22 1v95 n ASN 44 N 0.00 -2.57 0.00 -1.43 4.05 -1.15 -4.54 115.26 109.62 1v95 n ASN 44 Ca 0.00 0.17 0.00 0.00 0.45 0.00 0.00 54.58 55.20 1v95 n ASN 44 Cb 0.00 -1.40 0.00 0.00 1.23 0.00 0.00 39.78 39.61 1v95 n ASN 44 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1v95 n THR 45 N 0.17 0.00 0.00 -0.44 -1.04 -1.26 -4.69 114.28 107.02 1v95 n THR 45 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1v95 n THR 45 Cb 0.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 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 0.00 0.00 0.00 -2.82 2.13 -1.26 -4.92 120.64 113.77 1v95 n GLU 46 Ca 0.00 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1v95 n GLU 46 Cb 0.00 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1v95 n GLU 46 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1v95 n VAL 47 N -2.58 0.00 -4.69 6.31 0.31 -1.26 -5.18 118.33 111.24 1v95 n VAL 47 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1v95 n VAL 47 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 1v95 n VAL 47 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1v95 s SER 48 N 1.25 3.78 0.03 4.52 0.01 -1.26 -4.42 113.70 117.61 1v95 s SER 48 Ca 0.00 -1.62 -0.30 0.00 1.31 0.00 0.00 55.95 55.34 1v95 s SER 48 Cb 0.00 0.40 -0.17 0.00 0.21 0.00 0.00 66.02 66.46 1v95 s SER 48 CO 0.00 -0.82 1.29 0.25 0.41 0.00 0.00 173.24 174.38 1v95 h LEU 49 N 1.51 -0.83 -0.92 2.44 6.46 -2.00 -3.12 115.31 118.85 1v95 h LEU 49 Ca -0.42 0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.49 1v95 h LEU 49 Cb 1.30 0.22 -0.15 0.00 -0.73 0.00 0.00 40.66 41.29 1v95 h LEU 49 CO 0.71 -0.49 -0.36 -1.54 -0.62 0.00 0.00 178.44 176.14 1v95 n SER 50 N -5.45 -0.60 -0.33 1.25 3.41 -1.26 0.18 113.62 110.82 1v95 n SER 50 Ca -0.13 1.61 0.24 0.00 -0.26 0.00 0.00 58.87 60.33 1v95 n SER 50 Cb 0.40 -0.37 0.46 0.00 -0.26 0.00 0.00 64.21 64.44 1v95 n SER 50 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1v95 n GLN 51 N -5.36 -0.07 0.04 4.33 -0.06 -1.18 0.18 117.38 115.27 1v95 n GLN 51 Ca 0.09 1.41 -0.20 0.00 -2.00 0.00 0.00 57.00 56.31 1v95 n GLN 51 Cb 0.37 -2.41 -0.12 0.00 -4.06 0.00 0.00 30.24 24.01 1v95 n GLN 51 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1v95 h ALA 52 N 1.98 0.02 -0.41 1.69 0.00 0.19 -3.03 119.26 119.69 1v95 h ALA 52 Ca 0.74 -0.67 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1v95 h ALA 52 Cb 1.81 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1v95 h ALA 52 CO -0.83 0.49 0.28 -0.07 0.00 0.00 0.00 179.25 179.12 1v95 h LEU 53 N 0.00 0.28 -0.16 0.00 3.38 0.38 0.21 115.31 119.39 1v95 h LEU 53 Ca -0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1v95 h LEU 53 Cb 1.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1v95 h LEU 53 CO 0.17 0.18 0.01 -0.08 0.09 0.00 0.00 178.44 178.81 1v95 h GLU 54 N 0.32 0.29 0.00 1.13 4.81 0.19 -1.87 114.58 119.44 1v95 h GLU 54 Ca 0.18 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1v95 h GLU 54 Cb 0.31 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1v95 h GLU 54 CO -0.04 0.50 -0.00 0.22 -0.73 0.00 0.00 179.01 178.95 1v95 h ASP 55 N 0.04 0.00 -0.28 1.04 3.58 -1.13 0.29 116.42 119.95 1v95 h ASP 55 Ca 0.05 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.32 1v95 h ASP 55 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1v95 h ASP 55 CO 0.01 0.00 -0.50 0.58 -2.88 0.00 0.00 179.24 176.45 1v95 h VAL 56 N 0.00 1.28 0.00 2.25 2.07 -0.11 0.67 116.25 122.41 1v95 h VAL 56 Ca -0.00 -1.68 -0.07 0.00 0.82 0.00 0.00 66.70 65.76 1v95 h VAL 56 Cb 0.52 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1v95 h VAL 56 CO 0.00 0.55 -0.42 -1.28 0.02 0.00 0.00 177.57 176.44 1v95 h SER 57 N 0.61 0.00 -0.41 0.57 0.87 -0.95 0.41 113.55 114.65 1v95 h SER 57 Ca 0.02 -0.77 -0.06 0.00 -1.23 0.00 0.00 61.79 59.75 1v95 h SER 57 Cb 1.10 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1v95 h SER 57 CO 0.11 1.13 0.07 0.08 -0.53 0.00 0.00 176.83 177.69 1v95 h ARG 58 N -1.00 0.76 0.00 2.24 0.11 -0.54 -2.06 114.38 113.89 1v95 h ARG 58 Ca -0.11 -0.17 -0.07 0.00 0.10 0.00 0.00 59.98 59.73 1v95 h ARG 58 Cb 1.04 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 1v95 h ARG 58 CO -0.07 0.73 -0.32 0.78 0.10 0.00 0.00 179.97 181.19 1v95 h GLY 59 N 0.95 0.00 0.00 0.08 0.00 0.22 -3.47 103.07 100.85 1v95 h GLY 59 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1v95 h GLY 59 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1v95 n GLY 60 N -0.57 2.38 3.36 4.60 0.00 -0.77 -3.59 105.19 110.61 1v95 n GLY 60 Ca -0.02 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.43 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 1.27 0.04 1.61 2.88 0.14 -4.78 113.62 114.78 1v95 n SER 61 Ca 0.00 0.65 -0.15 0.00 -1.33 0.00 0.00 58.87 58.03 1v95 n SER 61 Cb 0.00 -1.02 -0.05 0.00 -0.75 0.00 0.00 64.21 62.39 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 9.72 0.56 -6.58 -1.46 0.13 -1.66 -3.38 132.00 129.32 1v95 h PRO 62 Ca -0.19 -0.54 -0.68 0.00 -0.87 0.00 0.00 66.00 63.72 1v95 h PRO 62 Cb 1.38 0.14 -0.21 0.00 0.13 0.00 0.00 31.00 32.45 1v95 h PRO 62 CO 1.06 1.17 -0.79 -0.06 -0.23 0.00 0.00 178.00 179.14 1v95 s PHE 63 N -3.44 2.59 -0.04 1.56 0.08 -1.02 0.19 117.98 117.90 1v95 s PHE 63 Ca -0.08 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 1v95 s PHE 63 Cb 0.09 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 41.12 1v95 s PHE 63 CO 0.88 0.30 0.02 0.00 -0.10 0.00 0.00 175.22 176.32 1v95 s ALA 64 N -0.99 0.38 -0.16 5.36 0.00 -0.67 -1.87 121.76 123.81 1v95 s ALA 64 Ca 0.16 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.14 1v95 s ALA 64 Cb -0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1v95 s ALA 64 CO 0.07 -0.30 0.10 0.42 0.00 0.00 0.00 175.76 176.06 1v95 s ILE 65 N 1.60 5.19 -0.16 0.00 1.01 0.38 -1.32 121.20 127.91 1v95 s ILE 65 Ca -0.02 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 1v95 s ILE 65 Cb -0.13 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1v95 s ILE 65 CO -0.03 0.51 0.11 -0.69 0.00 0.00 0.00 174.94 174.84 1v95 s VAL 66 N -0.17 5.24 0.13 2.92 1.01 -0.54 0.19 120.40 129.18 1v95 s VAL 66 Ca 0.09 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1v95 s VAL 66 Cb -0.12 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1v95 s VAL 66 CO 0.01 0.52 -0.16 -0.63 0.00 0.00 0.00 175.10 174.84 1v95 s ILE 67 N -0.23 1.49 0.00 2.22 -1.09 0.16 -3.01 121.20 120.74 1v95 s ILE 67 Ca 0.10 -1.71 0.00 0.00 -2.23 0.00 0.00 60.65 56.81 1v95 s ILE 67 Cb -0.12 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 1v95 s ILE 67 CO 0.01 -0.33 0.00 1.07 -1.23 0.00 0.00 174.94 174.46 1v95 n THR 68 N 0.60 0.00 -0.10 2.92 5.66 -1.26 -3.71 114.28 118.39 1v95 n THR 68 Ca -0.16 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.77 1v95 n THR 68 Cb 0.56 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.29 1v95 n THR 68 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1v95 h GLN 69 N 0.00 -0.18 0.04 1.09 1.08 -1.98 0.46 115.11 115.61 1v95 h GLN 69 Ca 0.00 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1v95 h GLN 69 Cb 0.00 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1v95 h GLN 69 CO 0.00 -0.12 -0.23 0.37 -0.95 0.00 0.00 178.83 177.90 1v95 h GLN 70 N -0.19 -0.31 -0.98 1.46 5.75 -1.96 0.11 115.11 119.00 1v95 h GLN 70 Ca 0.05 0.02 0.41 0.00 -0.15 0.00 0.00 58.65 58.97 1v95 h GLN 70 Cb 0.31 0.07 -0.17 0.00 1.07 0.00 0.00 27.48 28.76 1v95 h GLN 70 CO -0.35 -0.20 0.54 0.72 -2.65 0.00 0.00 178.83 176.88 1v95 n HIS 71 N -3.75 1.10 0.08 3.99 8.25 -1.03 0.15 115.22 124.01 1v95 n HIS 71 Ca -0.04 1.11 -0.13 0.00 -0.26 0.00 0.00 57.72 58.40 1v95 n HIS 71 Cb 0.18 -1.52 -0.08 0.00 1.12 0.00 0.00 29.99 29.69 1v95 n HIS 71 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1v95 h GLN 72 N 0.00 -0.18 0.27 -0.41 4.15 0.17 1.17 115.11 120.29 1v95 h GLN 72 Ca 0.82 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 60.24 1v95 h GLN 72 Cb 2.19 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 29.92 1v95 h GLN 72 CO -0.72 0.11 -0.15 0.82 -1.93 0.00 0.00 178.83 176.95 1v95 h ILE 73 N -0.46 0.69 0.00 2.39 2.04 0.38 -0.26 117.51 122.30 1v95 h ILE 73 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1v95 h ILE 73 Cb 0.36 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1v95 h ILE 73 CO 0.03 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.59 1v95 n HIS 74 N -5.27 0.00 -1.75 1.37 8.25 0.22 -4.83 115.22 113.21 1v95 n HIS 74 Ca -0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.23 1v95 n HIS 74 Cb 0.19 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 30.99 1v95 n HIS 74 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1v95 n ARG 75 N -1.26 -1.59 -5.10 -0.41 5.12 0.35 -4.92 116.66 108.85 1v95 n ARG 75 Ca 0.10 0.75 -0.28 0.00 -1.93 0.00 0.00 57.85 56.48 1v95 n ARG 75 Cb 0.15 -5.12 -0.16 0.00 -1.16 0.00 0.00 32.46 26.17 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1v95 s SER 76 N -2.11 2.62 0.44 0.55 1.04 0.18 -4.14 113.70 112.28 1v95 s SER 76 Ca 0.00 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.08 1v95 s SER 76 Cb 0.00 -0.34 -0.05 0.00 0.10 0.00 0.00 66.02 65.73 1v95 s SER 76 CO 0.00 0.27 0.13 0.00 0.98 0.00 0.00 173.24 174.61 1v95 s THR 78 N -2.69 4.00 -0.11 0.00 2.01 -1.16 -1.57 115.64 116.11 1v95 s THR 78 Ca 0.33 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.44 1v95 s THR 78 Cb 0.05 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1v95 s THR 78 CO 0.18 0.07 0.56 -0.69 -0.69 0.00 0.00 174.62 174.05 1v95 s VAL 79 N 1.50 5.13 -0.16 3.82 1.01 -1.03 -1.46 120.40 129.20 1v95 s VAL 79 Ca 0.03 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 63.12 1v95 s VAL 79 Cb -0.17 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.36 1v95 s VAL 79 CO 0.03 0.28 0.01 0.20 0.00 0.00 0.00 175.10 175.61 1v95 s ASN 80 N 0.75 2.59 0.44 3.32 0.01 -0.43 -1.52 114.94 120.09 1v95 s ASN 80 Ca 0.30 -0.62 -0.21 0.00 -0.71 0.00 0.00 52.86 51.62 1v95 s ASN 80 Cb -0.16 -0.62 -0.11 0.00 0.41 0.00 0.00 41.25 40.77 1v95 s ASN 80 CO 0.13 -0.26 0.97 -0.63 -1.51 0.00 0.00 177.10 175.80 1v95 s ILE 81 N 1.84 4.28 -0.03 0.60 1.01 -1.21 -1.67 121.20 126.03 1v95 s ILE 81 Ca 0.01 1.43 0.06 0.00 0.00 0.00 0.00 60.65 62.14 1v95 s ILE 81 Cb -0.16 -3.58 -0.08 0.00 0.01 0.00 0.00 42.46 38.65 1v95 s ILE 81 CO -0.07 -0.30 0.09 0.23 0.00 0.00 0.00 174.94 174.88 1v95 n MET 82 N -0.69 1.38 -3.97 2.79 2.81 0.51 -4.56 117.12 115.39 1v95 n MET 82 Ca 0.07 -0.03 -0.27 0.00 -1.81 0.00 0.00 57.70 55.66 1v95 n MET 82 Cb 0.54 -1.14 -0.04 0.00 -0.71 0.00 0.00 33.22 31.86 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 -2.30 3.40 0.00 2.03 -0.12 -1.25 -4.96 117.98 114.79 1v95 s PHE 83 Ca -0.02 0.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 1v95 s PHE 83 Cb 0.03 -1.65 0.00 0.00 -0.63 0.00 0.00 43.02 40.77 1v95 s PHE 83 CO 0.24 0.53 0.00 0.41 -0.05 0.00 0.00 175.22 176.35 1v95 n GLY 84 N -0.29 -0.11 3.35 1.99 0.00 -1.26 -4.54 105.19 104.34 1v95 n GLY 84 Ca -0.07 -0.63 -0.61 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.73 0.00 -2.31 2.61 -1.04 -1.26 -4.77 114.28 106.77 1v95 n THR 85 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1v95 n THR 85 Cb 0.00 -0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 68.03 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 3.17 3.10 -0.33 -2.82 0.04 -1.26 -4.92 135.00 131.98 1v95 s PRO 86 Ca 0.98 0.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 1v95 s PRO 86 Cb -1.37 -4.21 0.04 0.00 0.04 0.00 0.00 34.50 29.00 1v95 s PRO 86 CO 0.73 -2.19 0.09 -0.65 0.04 0.00 0.00 177.00 175.01 1v95 s GLN 87 N 5.97 2.67 -0.55 4.56 -1.52 -1.26 -5.01 119.66 124.51 1v95 s GLN 87 Ca 0.54 -1.14 -0.17 0.00 -1.95 0.00 0.00 55.36 52.64 1v95 s GLN 87 Cb -0.11 -3.42 0.11 0.00 -0.22 0.00 0.00 33.01 29.37 1v95 s GLN 87 CO 0.22 -0.63 0.58 -2.00 -0.25 0.00 0.00 175.29 173.22 1v95 s GLU 88 N 1.40 3.02 -0.35 2.91 2.12 -1.26 -3.29 118.70 123.25 1v95 s GLU 88 Ca -0.01 -1.48 -0.20 0.00 0.36 0.00 0.00 54.97 53.64 1v95 s GLU 88 Cb -0.19 -4.26 0.00 0.00 0.26 0.00 0.00 34.13 29.94 1v95 s GLU 88 CO 0.02 -1.39 0.59 -1.01 -0.54 0.00 0.00 175.26 172.93 1v95 s HIS 89 N 2.11 3.16 -0.03 5.30 3.76 -0.57 -5.04 115.29 123.98 1v95 s HIS 89 Ca 0.07 0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 55.12 1v95 s HIS 89 Cb -0.27 -3.06 -0.05 0.00 1.11 0.00 0.00 32.58 30.31 1v95 s HIS 89 CO 0.05 -0.60 0.39 1.03 -0.85 0.00 0.00 174.74 174.76 1v95 s ARG 90 N 2.60 3.95 -0.18 1.40 0.52 -1.26 -2.47 118.95 123.51 1v95 s ARG 90 Ca 0.22 0.36 -0.05 0.00 -0.52 0.00 0.00 55.73 55.75 1v95 s ARG 90 Cb -0.15 -3.25 0.01 0.00 0.52 0.00 0.00 34.95 32.08 1v95 s ARG 90 CO 0.14 0.62 0.10 -1.71 0.02 0.00 0.00 175.30 174.47 1v95 n ASN 91 N 2.12 -7.09 -4.25 0.23 2.85 -1.26 -5.00 115.26 102.86 1v95 n ASN 91 Ca -0.14 0.73 -0.29 0.00 -0.11 0.00 0.00 54.58 54.77 1v95 n ASN 91 Cb 0.52 -3.17 -0.16 0.00 1.24 0.00 0.00 39.78 38.22 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 -1.46 2.05 0.15 1.20 -1.94 -0.61 -4.98 119.30 113.71 1v95 s MET 92 Ca 0.05 -0.83 -0.30 0.00 -1.71 0.00 0.00 55.69 52.90 1v95 s MET 92 Cb -0.01 -1.88 -0.07 0.00 2.01 0.00 0.00 34.83 34.88 1v95 s MET 92 CO 0.41 0.44 1.13 -1.25 -0.01 0.00 0.00 175.02 175.74 1v95 s PRO 93 N -0.39 4.55 0.10 2.03 0.04 -1.26 -2.52 135.00 137.55 1v95 s PRO 93 Ca 0.04 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.63 1v95 s PRO 93 Cb -0.10 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1v95 s PRO 93 CO 0.01 -0.02 1.26 1.04 0.04 0.00 0.00 177.00 179.33 1v95 n GLN 94 N 2.74 -0.28 0.00 4.56 3.00 -1.26 0.72 117.38 126.86 1v95 n GLN 94 Ca 0.04 1.24 0.00 0.00 -0.01 0.00 0.00 57.00 58.28 1v95 n GLN 94 Cb 0.46 -1.84 0.00 0.00 0.00 0.00 0.00 30.24 28.86 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 -3.19 0.00 -0.24 -1.58 0.00 -1.26 0.19 120.51 114.43 1v95 n ALA 95 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 1v95 n ALA 95 Cb 0.17 0.39 0.02 0.00 0.00 0.00 0.00 19.45 20.03 1v95 n ALA 95 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1v95 h ASP 96 N 0.00 -1.16 -0.64 0.00 1.82 -1.66 0.47 116.42 115.25 1v95 h ASP 96 Ca 0.00 0.24 0.13 0.00 -0.39 0.00 0.00 57.03 57.01 1v95 h ASP 96 Cb 0.00 0.59 -0.12 0.00 0.68 0.00 0.00 39.33 40.48 1v95 h ASP 96 CO 0.00 -0.30 -0.12 0.00 -1.61 0.00 0.00 179.24 177.21 1v95 h ALA 97 N 1.14 0.47 0.00 -0.78 0.00 0.32 1.69 119.26 122.10 1v95 h ALA 97 Ca 0.26 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1v95 h ALA 97 Cb 0.56 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1v95 h ALA 97 CO -0.74 -0.42 -0.01 0.52 0.00 0.00 0.00 179.25 178.60 1v95 h MET 98 N 0.02 0.00 0.04 0.00 2.86 0.67 0.32 114.93 118.84 1v95 h MET 98 Ca 0.31 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.75 1v95 h MET 98 Cb 0.49 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1v95 h MET 98 CO -0.63 0.01 -1.06 -0.24 1.06 0.00 0.00 176.91 176.04 1v95 h VAL 99 N 0.00 1.13 0.00 -2.22 3.04 0.34 -0.97 116.25 117.57 1v95 h VAL 99 Ca -0.00 -2.29 -0.00 0.00 -1.01 0.00 0.00 66.70 63.40 1v95 h VAL 99 Cb 0.02 2.64 -0.00 0.00 -2.01 0.00 0.00 31.29 31.94 1v95 h VAL 99 CO 0.00 0.52 -0.01 0.25 -1.01 0.00 0.00 177.57 177.32 1v95 h LEU 100 N -0.75 0.00 0.02 3.16 6.46 0.24 1.33 115.31 125.77 1v95 h LEU 100 Ca -0.26 0.00 -0.13 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 -0.07 0.01 -0.68 1.62 -0.62 0.00 0.00 178.44 178.70 1v95 h VAL 101 N 0.00 1.36 0.00 1.05 3.04 -0.50 -1.27 116.25 119.93 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 0.02 2.85 -0.00 0.00 -2.01 0.00 0.00 31.29 32.15 1v95 h VAL 101 CO 0.00 0.51 -0.11 0.00 -1.01 0.00 0.00 177.57 176.96 1v95 h ALA 102 N -0.20 1.53 0.00 3.17 0.00 -0.68 0.32 119.26 123.40 1v95 h ALA 102 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1v95 h ALA 102 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1v95 h ALA 102 CO -0.07 0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.28 1v95 h ARG 103 N 0.00 0.00 -0.74 0.00 2.47 0.16 -3.12 114.38 113.15 1v95 h ARG 103 Ca -0.00 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.88 1v95 h ARG 103 Cb 0.24 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.45 1v95 h ARG 103 CO 0.01 0.00 0.20 -0.91 0.56 0.00 0.00 179.97 179.84 1v95 h ASN 104 N -0.49 0.06 -0.32 7.04 2.35 -1.21 -0.16 115.58 122.84 1v95 h ASN 104 Ca 0.00 0.14 0.07 0.00 -0.55 0.00 0.00 56.30 55.96 1v95 h ASN 104 Cb 0.04 0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.50 1v95 h ASN 104 CO 0.00 -0.02 -0.24 0.22 -1.65 0.00 0.00 177.43 175.74 1v95 h TYR 105 N 0.30 -0.63 -0.35 1.19 3.20 -0.52 0.24 116.97 120.39 1v95 h TYR 105 Ca 0.42 0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.41 1v95 h TYR 105 Cb 0.71 0.33 -0.08 0.00 1.54 0.00 0.00 36.73 39.24 1v95 h TYR 105 CO -0.24 -0.32 -0.16 0.93 -1.64 0.00 0.00 178.16 176.73 1v95 h GLU 106 N -0.21 -0.09 0.71 1.82 4.39 -0.98 0.17 114.58 120.40 1v95 h GLU 106 Ca 0.16 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1v95 h GLU 106 Cb 0.46 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1v95 h GLU 106 CO -0.44 -0.06 -0.50 0.00 -1.16 0.00 0.00 179.01 176.85 1v95 h ARG 107 N -0.10 -1.11 -0.85 2.33 3.08 -0.67 0.26 114.38 117.32 1v95 h ARG 107 Ca 0.18 0.08 0.22 0.00 0.07 0.00 0.00 59.98 60.52 1v95 h ARG 107 Cb 0.36 0.25 -0.13 0.00 0.08 0.00 0.00 29.97 30.53 1v95 h ARG 107 CO -0.41 -0.74 0.23 -0.92 -1.07 0.00 0.00 179.97 177.06 1v95 h TYR 108 N -1.15 0.34 -0.17 3.04 3.20 -0.17 0.26 116.97 122.33 1v95 h TYR 108 Ca -0.09 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1v95 h TYR 108 Cb 0.94 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1v95 h TYR 108 CO -0.15 -0.18 0.06 -0.22 -1.64 0.00 0.00 178.16 176.03 1v95 h LYS 109 N 0.23 0.26 -1.14 1.82 3.64 -0.24 0.95 116.57 122.08 1v95 h LYS 109 Ca 0.52 -0.05 0.32 0.00 -1.27 0.00 0.00 60.65 60.17 1v95 h LYS 109 Cb 1.02 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 1v95 h LYS 109 CO -0.62 0.36 0.78 -0.91 -2.27 0.00 0.00 179.45 176.78 1v95 h ASN 110 N 0.10 0.21 0.46 4.20 2.35 0.30 1.13 115.58 124.33 1v95 h ASN 110 Ca 0.05 0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.67 1v95 h ASN 110 Cb 0.21 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1v95 h ASN 110 CO -0.00 0.02 -1.69 -0.62 -1.65 0.00 0.00 177.43 173.49 1v95 n GLU 111 N -4.41 0.64 0.12 0.81 -0.58 -0.58 -3.97 120.64 112.67 1v95 n GLU 111 Ca 0.26 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.99 1v95 n GLU 111 Cb 1.10 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 30.19 1v95 n GLU 111 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1v95 h ARG 113 N -0.81 -0.22 -1.85 0.00 9.65 0.68 -3.48 114.38 118.36 1v95 h ARG 113 Ca -0.04 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.05 1v95 h ARG 113 Cb 0.51 0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 29.04 1v95 h ARG 113 CO 0.06 -0.14 -0.64 0.39 2.80 0.00 0.00 179.97 182.44 1v95 n GLU 114 N -5.36 -1.76 -0.92 0.20 -0.58 -1.23 -4.88 120.64 106.11 1v95 n GLU 114 Ca 0.00 1.41 -0.36 0.00 -0.42 0.00 0.00 57.16 57.80 1v95 n GLU 114 Cb 0.33 -2.06 0.07 0.00 -0.57 0.00 0.00 31.44 29.20 1v95 n GLU 114 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1v95 n LYS 115 N -3.30 -0.29 -1.15 3.49 2.85 -1.26 -4.71 118.16 113.80 1v95 n LYS 115 Ca -0.04 -0.08 0.02 0.00 -1.05 0.00 0.00 58.31 57.16 1v95 n LYS 115 Cb 0.36 -1.22 -0.01 0.00 -0.65 0.00 0.00 35.03 33.51 1v95 n LYS 115 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1v95 n GLU 116 N 1.22 -2.98 -2.32 -1.58 -0.58 -1.26 -5.01 120.64 108.13 1v95 n GLU 116 Ca -0.00 2.33 -0.02 0.00 -0.42 0.00 0.00 57.16 59.04 1v95 n GLU 116 Cb 0.64 -2.96 -0.01 0.00 -0.57 0.00 0.00 31.44 28.54 1v95 n GLU 116 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1v95 n ARG 117 N -2.52 -4.61 -0.84 3.49 1.74 -1.26 -4.93 116.66 107.73 1v95 n ARG 117 Ca -0.01 3.42 -0.35 0.00 -0.77 0.00 0.00 57.85 60.14 1v95 n ARG 117 Cb 0.38 -4.50 0.10 0.00 -1.02 0.00 0.00 32.46 27.41 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 1.64 -0.77 -1.88 5.56 2.13 -1.26 -4.91 120.64 121.16 1v95 n GLU 118 Ca -0.13 -0.22 -0.21 0.00 0.66 0.00 0.00 57.16 57.26 1v95 n GLU 118 Cb 0.20 -1.31 0.04 0.00 0.27 0.00 0.00 31.44 30.63 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 0.40 3.42 -1.38 5.31 2.13 -1.26 -5.07 120.64 124.19 1v95 n GLU 119 Ca -0.01 -4.08 -0.45 0.00 0.66 0.00 0.00 57.16 53.28 1v95 n GLU 119 Cb 0.69 -2.22 -0.02 0.00 0.27 0.00 0.00 31.44 30.16 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 -0.75 1.49 -3.70 6.31 5.41 -1.26 -4.96 119.36 121.91 1v95 n ILE 120 Ca 0.42 -0.50 -0.05 0.00 1.00 0.00 0.00 62.75 63.62 1v95 n ILE 120 Cb 0.94 -0.09 -0.02 0.00 -0.71 0.00 0.00 39.64 39.76 1v95 n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1v95 s ALA 121 N -1.29 -1.65 -0.02 -1.39 0.00 -1.26 -5.17 121.76 110.98 1v95 s ALA 121 Ca 0.62 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1v95 s ALA 121 Cb -0.79 0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1v95 s ALA 121 CO 0.59 -0.96 -0.09 1.03 0.00 0.00 0.00 175.76 176.33 1v95 s ARG 122 N -3.33 0.92 -0.31 0.00 1.81 -1.26 -5.08 118.95 111.71 1v95 s ARG 122 Ca 0.10 -0.31 -0.12 0.00 -1.72 0.00 0.00 55.73 53.69 1v95 s ARG 122 Cb -0.02 -0.87 0.20 0.00 -0.45 0.00 0.00 34.95 33.81 1v95 s ARG 122 CO -0.00 0.12 1.14 -1.14 -0.68 0.00 0.00 175.30 174.74 1v95 s GLN 123 N 0.14 0.04 -0.29 3.54 2.00 -1.26 -5.16 119.66 118.67 1v95 s GLN 123 Ca -0.02 -0.02 -0.22 0.00 -2.00 0.00 0.00 55.36 53.09 1v95 s GLN 123 Cb -0.08 0.00 0.17 0.00 0.80 0.00 0.00 33.01 33.91 1v95 s GLN 123 CO 0.00 -0.06 1.25 0.00 -0.50 0.00 0.00 175.29 175.99 1v95 s ALA 124 N 1.74 -2.26 0.06 1.58 0.00 -1.26 -5.18 121.76 116.43 1v95 s ALA 124 Ca 0.16 1.85 -0.07 0.00 0.00 0.00 0.00 51.96 53.90 1v95 s ALA 124 Cb 0.07 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 1v95 s ALA 124 CO -0.15 -0.20 0.13 0.45 0.00 0.00 0.00 175.76 175.99 1v95 s SER 125 N 0.43 0.16 0.02 0.00 0.15 -1.26 -5.17 113.70 108.04 1v95 s SER 125 Ca 0.01 -0.59 0.06 0.00 0.70 0.00 0.00 55.95 56.14 1v95 s SER 125 Cb -0.04 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.52 1v95 s SER 125 CO -0.12 -0.60 -0.19 -0.83 1.20 0.00 0.00 173.24 172.70 1v95 s GLY 126 N -2.45 0.97 -0.06 9.45 0.00 -1.26 -5.07 107.32 108.91 1v95 s GLY 126 Ca -0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 44.72 43.70 1v95 s GLY 126 CO -0.07 -0.82 0.45 -0.56 0.00 0.00 0.00 173.10 172.10 1v95 h PRO 127 N 5.22 -0.31 -5.08 2.90 0.13 -2.10 -3.48 132.00 129.27 1v95 h PRO 127 Ca -0.40 0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.20 1v95 h PRO 127 Cb 1.16 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1v95 h PRO 127 CO 0.46 -0.15 -0.53 -1.12 -0.23 0.00 0.00 178.00 176.43 1v95 s SER 128 N -5.22 2.84 0.38 1.44 0.01 -1.26 -5.17 113.70 106.73 1v95 s SER 128 Ca -0.06 -1.63 0.08 0.00 1.31 0.00 0.00 55.95 55.65 1v95 s SER 128 Cb 0.00 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 1v95 s SER 128 CO 0.19 -0.88 0.30 -0.44 0.41 0.00 0.00 173.24 172.83 1v95 s SER 129 N -3.61 5.00 0.00 2.44 0.01 -1.26 -5.24 113.70 111.04 1v95 s SER 129 Ca 0.24 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1v95 s SER 129 Cb 0.03 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.57 1v95 s SER 129 CO 0.14 -0.51 0.27 0.61 0.41 0.00 0.00 173.24 174.16