#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 4.97 -1.22 1.61 0.15 -1.26 -5.02 113.70 112.93 1v95 s SER 2 Ca 0.00 -2.20 -0.11 0.00 0.70 0.00 0.00 55.95 54.34 1v95 s SER 2 Cb 0.00 -1.73 0.19 0.00 -1.71 0.00 0.00 66.02 62.77 1v95 s SER 2 CO 0.00 -0.44 1.58 -1.20 1.20 0.00 0.00 173.24 174.38 1v95 n SER 3 N 4.28 5.27 0.00 5.45 7.64 -1.26 -4.92 113.62 130.08 1v95 n SER 3 Ca 0.02 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1v95 n SER 3 Cb 0.41 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 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 3.32 2.34 1.29 0.23 0.00 -1.26 -5.01 105.19 106.11 1v95 n GLY 4 Ca 0.36 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 8.29 -5.16 -2.93 1.61 2.88 -1.26 -5.05 113.62 111.99 1v95 n SER 5 Ca 0.00 0.66 -0.11 0.00 -1.33 0.00 0.00 58.87 58.10 1v95 n SER 5 Cb 0.00 -2.83 -0.02 0.00 -0.75 0.00 0.00 64.21 60.62 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 0.84 -2.58 0.00 -3.46 2.88 -1.26 -5.13 113.62 104.91 1v95 n SER 6 Ca 0.00 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 1v95 n SER 6 Cb 0.00 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 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 2.79 1.06 3.79 0.46 0.00 -1.26 -5.03 105.19 106.99 1v95 n GLY 7 Ca 0.21 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.91 1.04 -0.14 1.61 0.04 -1.26 -5.03 135.00 128.35 1v95 s PRO 8 Ca 0.00 0.25 -0.13 0.00 0.04 0.00 0.00 61.00 61.15 1v95 s PRO 8 Cb 0.00 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.75 1v95 s PRO 8 CO 0.00 -2.26 0.38 0.08 0.04 0.00 0.00 177.00 175.24 1v95 s VAL 9 N -3.29 0.00 0.03 -0.36 1.01 -1.26 -5.02 120.40 111.50 1v95 s VAL 9 Ca 0.64 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.40 1v95 s VAL 9 Cb -0.14 -0.54 -0.17 0.00 0.00 0.00 0.00 36.38 35.53 1v95 s VAL 9 CO 0.53 -0.01 1.25 0.44 0.00 0.00 0.00 175.10 177.31 1v95 h ASP 10 N 5.44 0.44 -2.05 3.32 3.32 -1.31 -3.34 116.42 122.23 1v95 h ASP 10 Ca -0.27 -0.58 -0.25 0.00 0.02 0.00 0.00 57.03 55.95 1v95 h ASP 10 Cb 1.18 -0.13 -0.32 0.00 0.22 0.00 0.00 39.33 40.29 1v95 h ASP 10 CO 0.27 0.94 -0.57 0.00 -1.72 0.00 0.00 179.24 178.17 1v95 s SER 12 N 2.45 7.24 -0.27 0.00 0.01 -0.93 -3.53 113.70 118.66 1v95 s SER 12 Ca 0.10 1.46 -0.11 0.00 1.31 0.00 0.00 55.95 58.71 1v95 s SER 12 Cb -0.14 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1v95 s SER 12 CO -0.23 0.24 0.20 -0.69 0.41 0.00 0.00 173.24 173.17 1v95 s VAL 13 N -1.13 5.30 -0.31 3.43 1.01 0.92 0.23 120.40 129.86 1v95 s VAL 13 Ca 0.32 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 1v95 s VAL 13 Cb -0.21 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1v95 s VAL 13 CO 0.23 0.25 0.25 -0.63 0.00 0.00 0.00 175.10 175.21 1v95 s ILE 14 N 1.70 5.27 -0.30 2.22 -1.09 0.33 -0.70 121.20 128.62 1v95 s ILE 14 Ca 0.08 0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 1v95 s ILE 14 Cb -0.16 -3.67 0.09 0.00 -1.58 0.00 0.00 42.46 37.14 1v95 s ILE 14 CO 0.10 0.08 0.02 0.54 -1.23 0.00 0.00 174.94 174.45 1v95 s VAL 15 N 1.81 1.83 -1.42 2.92 0.11 -0.69 0.17 120.40 125.12 1v95 s VAL 15 Ca 0.08 -1.84 -0.07 0.00 -2.93 0.00 0.00 61.98 57.22 1v95 s VAL 15 Cb -0.17 -2.25 0.05 0.00 -1.53 0.00 0.00 36.38 32.49 1v95 s VAL 15 CO 0.11 -0.44 2.55 1.33 -3.33 0.00 0.00 175.10 175.32 1v95 n VAL 16 N 4.48 4.88 -0.42 2.04 0.24 -1.16 -2.99 118.33 125.41 1v95 n VAL 16 Ca -0.03 -3.74 0.00 0.00 -2.04 0.00 0.00 64.34 58.54 1v95 n VAL 16 Cb 0.42 -2.27 0.00 0.00 -1.47 0.00 0.00 33.84 30.52 1v95 n VAL 16 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1v95 n ASN 17 N 2.48 0.00 -0.04 -1.34 3.02 -1.26 -4.53 115.26 113.59 1v95 n ASN 17 Ca 0.67 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 55.15 1v95 n ASN 17 Cb 0.25 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.38 1v95 n ASN 17 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1v95 n LYS 18 N -0.32 0.20 -0.30 3.52 3.00 -1.26 -4.59 118.16 118.41 1v95 n LYS 18 Ca 0.00 0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.49 1v95 n LYS 18 Cb 0.00 -1.07 0.27 0.00 0.00 0.00 0.00 35.03 34.24 1v95 n LYS 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1v95 h GLN 19 N -0.09 0.16 -1.98 1.64 5.75 -2.00 0.25 115.11 118.84 1v95 h GLN 19 Ca -0.20 -0.01 -0.36 0.00 -0.15 0.00 0.00 58.65 57.93 1v95 h GLN 19 Cb 1.27 -0.04 -0.13 0.00 1.07 0.00 0.00 27.48 29.65 1v95 h GLN 19 CO -0.06 0.11 0.07 0.25 -2.65 0.00 0.00 178.83 176.55 1v95 n THR 20 N -5.27 3.15 -0.08 2.39 -2.24 -1.26 -4.32 114.28 106.65 1v95 n THR 20 Ca 0.21 -2.30 -0.11 0.00 -2.27 0.00 0.00 64.05 59.57 1v95 n THR 20 Cb 0.67 -1.75 -0.07 0.00 -2.10 0.00 0.00 70.33 67.09 1v95 n THR 20 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1v95 h LYS 21 N 2.91 0.00 0.07 -0.78 3.64 -0.78 -3.04 116.57 118.59 1v95 h LYS 21 Ca 0.30 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1v95 h LYS 21 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1v95 h LYS 21 CO 0.60 0.50 -0.04 0.38 -2.27 0.00 0.00 179.45 178.62 1v95 h ASP 22 N -1.00 -0.08 0.03 4.20 2.03 -1.81 0.18 116.42 119.96 1v95 h ASP 22 Ca -0.12 -0.22 0.03 0.00 -0.73 0.00 0.00 57.03 55.99 1v95 h ASP 22 Cb 0.78 0.02 -0.05 0.00 -0.83 0.00 0.00 39.33 39.25 1v95 h ASP 22 CO -0.07 0.17 -0.41 0.22 -1.03 0.00 0.00 179.24 178.11 1v95 h TYR 23 N -0.34 -1.17 -0.93 4.15 5.03 -1.84 -0.61 116.97 121.26 1v95 h TYR 23 Ca -0.01 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.37 1v95 h TYR 23 Cb 0.30 0.51 -0.05 0.00 1.55 0.00 0.00 36.73 39.03 1v95 h TYR 23 CO 0.01 -0.50 0.61 0.00 -1.32 0.00 0.00 178.16 176.96 1v95 h ALA 24 N -0.05 1.41 0.00 1.82 0.00 -1.53 0.28 119.26 121.19 1v95 h ALA 24 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1v95 h ALA 24 Cb 0.65 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1v95 h ALA 24 CO -0.30 0.50 0.00 0.39 0.00 0.00 0.00 179.25 179.84 1v95 n GLU 25 N -4.44 0.10 -0.02 0.00 1.02 0.61 -1.89 120.64 116.01 1v95 n GLU 25 Ca 0.12 0.55 -0.01 0.00 -0.02 0.00 0.00 57.16 57.80 1v95 n GLU 25 Cb 0.10 -1.79 -0.00 0.00 -0.02 0.00 0.00 31.44 29.73 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 -1.63 1.62 0.87 0.98 -3.25 113.55 112.14 1v95 h SER 26 Ca 0.00 0.00 0.48 0.00 -1.23 0.00 0.00 61.79 61.04 1v95 h SER 26 Cb 0.07 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.95 1v95 h SER 26 CO 0.00 0.25 1.16 1.62 -0.53 0.00 0.00 176.83 179.34 1v95 h VAL 27 N -0.35 0.16 -0.34 2.23 3.04 -1.33 1.70 116.25 121.36 1v95 h VAL 27 Ca 0.00 -0.01 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 1v95 h VAL 27 Cb 0.16 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 1v95 h VAL 27 CO 0.00 0.00 -0.13 1.23 -1.01 0.00 0.00 177.57 177.67 1v95 h GLY 28 N 0.02 0.75 0.99 3.17 0.00 -1.53 -3.03 103.07 103.43 1v95 h GLY 28 Ca 0.80 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 1v95 h GLY 28 CO -0.06 0.59 -0.22 0.07 0.00 0.00 0.00 176.54 176.92 1v95 h ARG 29 N 0.47 0.75 -0.92 4.80 0.11 0.24 -2.80 114.38 117.03 1v95 h ARG 29 Ca 0.08 -0.35 0.25 0.00 0.10 0.00 0.00 59.98 60.06 1v95 h ARG 29 Cb 0.65 -0.01 -0.14 0.00 1.11 0.00 0.00 29.97 31.58 1v95 h ARG 29 CO 0.04 0.97 0.40 0.87 0.10 0.00 0.00 179.97 182.35 1v95 h LYS 30 N 0.53 0.33 -0.20 0.08 6.56 -0.95 1.55 116.57 124.47 1v95 h LYS 30 Ca 0.07 -0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.52 1v95 h LYS 30 Cb 0.77 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.35 1v95 h LYS 30 CO 0.06 0.22 -0.39 0.28 -2.06 0.00 0.00 179.45 177.55 1v95 h VAL 31 N 0.34 1.30 -0.08 0.50 2.07 -1.40 -2.64 116.25 116.33 1v95 h VAL 31 Ca 0.60 -1.53 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1v95 h VAL 31 Cb 1.23 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1v95 h VAL 31 CO -0.58 0.47 -0.40 0.03 0.02 0.00 0.00 177.57 177.11 1v95 h ARG 32 N 0.37 0.18 0.00 1.57 3.08 0.21 -1.92 114.38 117.88 1v95 h ARG 32 Ca 0.03 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1v95 h ARG 32 Cb 0.85 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1v95 h ARG 32 CO 0.07 0.56 0.00 0.22 -1.07 0.00 0.00 179.97 179.75 1v95 h ASP 33 N 0.15 0.00 0.45 7.04 1.82 0.46 0.73 116.42 127.07 1v95 h ASP 33 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1v95 h ASP 33 Cb 0.78 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1v95 h ASP 33 CO 0.06 0.00 -0.70 0.18 -1.61 0.00 0.00 179.24 177.17 1v95 n LEU 34 N -2.69 0.62 0.00 2.28 4.77 -0.74 -4.93 117.00 116.30 1v95 n LEU 34 Ca -0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1v95 n LEU 34 Cb 0.07 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1v95 n LEU 34 CO 0.16 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1v95 n GLY 35 N 1.46 1.63 3.41 -0.72 0.00 0.25 -5.09 105.19 106.13 1v95 n GLY 35 Ca 0.04 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.33 3.23 0.03 1.61 1.00 -1.10 -5.01 119.30 117.74 1v95 s MET 36 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 55.69 54.72 1v95 s MET 36 Cb 0.00 -2.61 -0.07 0.00 0.00 0.00 0.00 34.83 32.14 1v95 s MET 36 CO 0.00 0.31 1.65 0.08 0.00 0.00 0.00 175.02 177.06 1v95 s VAL 37 N 0.11 3.23 0.05 -6.03 1.01 -1.26 -3.40 120.40 114.11 1v95 s VAL 37 Ca -0.05 0.56 0.04 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 32.85 1v95 s VAL 37 CO 0.04 -0.02 -0.11 -0.69 0.00 0.00 0.00 175.10 174.33 1v95 s VAL 38 N 3.09 0.82 0.18 2.92 1.01 -1.26 -0.72 120.40 126.45 1v95 s VAL 38 Ca 0.74 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 1v95 s VAL 38 Cb -0.38 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1v95 s VAL 38 CO 0.32 -0.26 0.13 -0.62 0.00 0.00 0.00 175.10 174.67 1v95 s ASP 39 N -1.54 0.18 -0.13 3.32 2.15 -1.23 -4.99 116.67 114.42 1v95 s ASP 39 Ca -0.05 -1.30 0.01 0.00 0.43 0.00 0.00 52.55 51.64 1v95 s ASP 39 Cb -0.09 0.37 -0.00 0.00 -0.30 0.00 0.00 42.92 42.89 1v95 s ASP 39 CO 0.01 -0.83 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.25 1v95 s LEU 40 N -3.12 2.44 -0.30 -1.34 1.02 -1.26 -0.05 118.68 116.06 1v95 s LEU 40 Ca 0.34 -0.45 -0.02 0.00 0.02 0.00 0.00 54.13 54.01 1v95 s LEU 40 Cb 0.07 -1.53 0.05 0.00 0.02 0.00 0.00 46.19 44.79 1v95 s LEU 40 CO 0.09 0.13 0.01 -0.63 0.02 0.00 0.00 176.35 175.96 1v95 s ILE 41 N 0.56 3.10 -0.13 -0.59 1.01 0.12 -4.97 121.20 120.30 1v95 s ILE 41 Ca -0.10 -1.32 -0.12 0.00 0.00 0.00 0.00 60.65 59.11 1v95 s ILE 41 Cb -0.16 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1v95 s ILE 41 CO 0.04 -0.09 0.27 -0.36 0.00 0.00 0.00 174.94 174.79 1v95 s PHE 42 N 1.28 3.52 0.00 3.97 0.08 -1.26 -1.71 117.98 123.86 1v95 s PHE 42 Ca -0.04 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.63 1v95 s PHE 42 Cb -0.19 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 1v95 s PHE 42 CO -0.01 0.40 0.00 1.28 -0.10 0.00 0.00 175.22 176.80 1v95 n LEU 43 N 2.98 0.00 0.00 -0.37 4.77 -1.16 -4.87 117.00 118.36 1v95 n LEU 43 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1v95 n LEU 43 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1v95 n LEU 43 CO 0.37 -0.20 0.00 -3.20 -1.33 0.00 0.00 177.39 173.04 1v95 n ASN 44 N -1.60 0.00 0.00 -1.43 5.15 -1.26 -1.87 115.26 114.25 1v95 n ASN 44 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1v95 n ASN 44 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.00 0.00 0.00 -0.44 -1.04 -1.26 -4.89 114.28 106.65 1v95 n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1v95 n THR 45 Cb 0.00 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 -2.07 0.00 -2.58 -2.82 1.02 -0.78 -4.76 120.64 108.64 1v95 n GLU 46 Ca 0.00 0.42 -0.06 0.00 -0.02 0.00 0.00 57.16 57.50 1v95 n GLU 46 Cb 0.24 -0.75 -0.02 0.00 -0.02 0.00 0.00 31.44 30.89 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 -1.34 0.00 -3.69 2.62 0.24 -1.26 -5.12 118.33 109.78 1v95 n VAL 47 Ca 0.00 -0.58 -0.21 0.00 -2.04 0.00 0.00 64.34 61.52 1v95 n VAL 47 Cb 0.00 0.20 0.01 0.00 -1.47 0.00 0.00 33.84 32.58 1v95 n VAL 47 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1v95 n SER 48 N -1.90 2.35 0.45 -1.34 2.88 -1.26 -4.35 113.62 110.44 1v95 n SER 48 Ca -0.02 -2.53 -0.20 0.00 -1.33 0.00 0.00 58.87 54.79 1v95 n SER 48 Cb 0.15 -0.09 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 1v95 n SER 48 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1v95 h LEU 49 N 0.00 -1.15 -0.58 2.46 6.46 -1.99 -2.90 115.31 117.61 1v95 h LEU 49 Ca -0.28 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.62 1v95 h LEU 49 Cb 1.06 0.32 -0.10 0.00 -0.73 0.00 0.00 40.66 41.21 1v95 h LEU 49 CO 0.43 -0.74 -0.45 0.77 -0.62 0.00 0.00 178.44 177.83 1v95 h SER 50 N -1.21 -1.55 -1.72 1.25 4.64 -1.97 0.99 113.55 113.99 1v95 h SER 50 Ca -0.11 0.25 0.52 0.00 -0.47 0.00 0.00 61.79 61.98 1v95 h SER 50 Cb 0.95 0.70 -0.10 0.00 -0.31 0.00 0.00 62.40 63.64 1v95 h SER 50 CO 0.15 -0.34 1.20 1.56 -0.87 0.00 0.00 176.83 178.53 1v95 h GLN 51 N -0.24 0.01 0.13 4.77 1.08 -1.92 1.72 115.11 120.66 1v95 h GLN 51 Ca 0.17 -0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.03 1v95 h GLN 51 Cb 0.56 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1v95 h GLN 51 CO -0.69 0.01 -1.79 0.00 -0.95 0.00 0.00 178.83 175.41 1v95 h ALA 52 N 1.24 0.31 -0.24 3.87 0.00 0.95 -3.27 119.26 122.12 1v95 h ALA 52 Ca 0.89 -1.27 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1v95 h ALA 52 Cb 3.34 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 21.72 1v95 h ALA 52 CO -0.17 1.12 0.09 -0.07 0.00 0.00 0.00 179.25 180.22 1v95 h LEU 53 N -0.05 0.11 -1.99 0.00 3.38 0.66 0.61 115.31 118.02 1v95 h LEU 53 Ca -0.38 0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.70 1v95 h LEU 53 Cb 1.96 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1v95 h LEU 53 CO 0.09 0.09 0.22 -0.08 0.09 0.00 0.00 178.44 178.85 1v95 h GLU 54 N 0.20 0.01 0.05 1.13 4.81 0.84 0.13 114.58 121.76 1v95 h GLU 54 Ca 0.10 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 1v95 h GLU 54 Cb 0.07 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1v95 h GLU 54 CO -0.10 0.01 -1.27 0.22 -0.73 0.00 0.00 179.01 177.13 1v95 h ASP 55 N 0.01 0.17 0.75 1.04 3.58 -1.13 -2.78 116.42 118.06 1v95 h ASP 55 Ca 0.15 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1v95 h ASP 55 Cb 0.58 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 1v95 h ASP 55 CO -0.00 1.17 -0.46 0.58 -2.88 0.00 0.00 179.24 177.65 1v95 h VAL 56 N 0.03 0.08 0.61 2.25 2.07 0.28 1.02 116.25 122.59 1v95 h VAL 56 Ca -0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1v95 h VAL 56 Cb 1.90 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1v95 h VAL 56 CO 0.14 0.00 -0.33 -1.28 0.02 0.00 0.00 177.57 176.13 1v95 h SER 57 N -1.13 -0.80 -1.07 0.57 0.87 -1.43 0.12 113.55 110.67 1v95 h SER 57 Ca -0.10 0.04 0.28 0.00 -1.23 0.00 0.00 61.79 60.78 1v95 h SER 57 Cb 0.91 0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 63.00 1v95 h SER 57 CO 0.10 -0.53 0.69 0.08 -0.53 0.00 0.00 176.83 176.64 1v95 h ARG 58 N -0.86 0.34 0.00 2.24 0.11 -1.52 1.41 114.38 116.09 1v95 h ARG 58 Ca -0.08 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 59.92 1v95 h ARG 58 Cb 0.67 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.67 1v95 h ARG 58 CO 0.11 0.22 -0.29 0.78 0.10 0.00 0.00 179.97 180.90 1v95 h GLY 59 N 0.35 0.00 0.00 0.08 0.00 0.16 -3.47 103.07 100.19 1v95 h GLY 59 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 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 -0.10 1.96 3.46 4.60 0.00 0.48 -4.60 105.19 111.00 1v95 n GLY 60 Ca -0.01 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.38 1v95 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v95 n SER 61 N 0.00 0.98 -0.01 1.61 7.64 0.22 -4.82 113.62 119.24 1v95 n SER 61 Ca 0.00 0.94 -0.17 0.00 1.01 0.00 0.00 58.87 60.65 1v95 n SER 61 Cb 0.00 -0.87 -0.10 0.00 -1.01 0.00 0.00 64.21 62.22 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 6.71 0.40 -6.60 1.43 0.13 -1.69 -3.38 132.00 129.00 1v95 h PRO 62 Ca -0.28 -0.39 -0.68 0.00 -0.87 0.00 0.00 66.00 63.79 1v95 h PRO 62 Cb 1.37 0.10 -0.20 0.00 0.13 0.00 0.00 31.00 32.40 1v95 h PRO 62 CO 1.01 1.05 -0.79 -0.06 -0.23 0.00 0.00 178.00 178.98 1v95 s PHE 63 N -3.36 2.59 -0.03 1.56 0.08 -1.15 0.19 117.98 117.87 1v95 s PHE 63 Ca -0.14 -0.23 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 1v95 s PHE 63 Cb 0.04 -1.43 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1v95 s PHE 63 CO 0.81 0.32 0.03 0.00 -0.10 0.00 0.00 175.22 176.28 1v95 s ALA 64 N -1.03 0.19 -0.06 5.36 0.00 -0.20 -2.18 121.76 123.85 1v95 s ALA 64 Ca 0.17 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 1v95 s ALA 64 Cb -0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1v95 s ALA 64 CO 0.08 -0.22 0.35 0.42 0.00 0.00 0.00 175.76 176.39 1v95 s ILE 65 N 1.40 5.17 -0.20 0.00 1.01 0.14 -0.60 121.20 128.12 1v95 s ILE 65 Ca -0.05 0.70 -0.08 0.00 0.00 0.00 0.00 60.65 61.21 1v95 s ILE 65 Cb -0.13 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1v95 s ILE 65 CO -0.03 0.53 0.09 0.54 0.00 0.00 0.00 174.94 176.07 1v95 s VAL 66 N -0.62 5.00 0.05 2.92 0.11 0.04 0.12 120.40 128.02 1v95 s VAL 66 Ca 0.21 0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.37 1v95 s VAL 66 Cb -0.15 -3.28 -0.03 0.00 -1.53 0.00 0.00 36.38 31.40 1v95 s VAL 66 CO 0.10 0.43 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.49 1v95 s ILE 67 N 0.54 1.47 -0.16 7.04 -1.09 0.45 -2.90 121.20 126.55 1v95 s ILE 67 Ca 0.05 -1.19 -0.31 0.00 -2.23 0.00 0.00 60.65 56.97 1v95 s ILE 67 Cb -0.12 -1.31 0.14 0.00 -1.58 0.00 0.00 42.46 39.59 1v95 s ILE 67 CO 0.01 0.09 1.11 0.28 -1.23 0.00 0.00 174.94 175.19 1v95 s THR 68 N -0.88 0.00 0.10 2.92 -1.32 -1.26 -2.97 115.64 112.22 1v95 s THR 68 Ca 0.05 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.34 1v95 s THR 68 Cb -0.09 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.86 1v95 s THR 68 CO 0.02 0.00 1.34 1.56 -2.21 0.00 0.00 174.62 175.32 1v95 h GLN 69 N 2.19 -0.04 -0.89 7.08 4.20 -1.97 0.42 115.11 126.10 1v95 h GLN 69 Ca -0.14 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.76 1v95 h GLN 69 Cb 1.18 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 28.80 1v95 h GLN 69 CO 0.27 -0.03 -0.15 0.37 -0.67 0.00 0.00 178.83 178.62 1v95 h GLN 70 N -0.04 0.01 0.25 1.46 5.75 -1.99 0.29 115.11 120.83 1v95 h GLN 70 Ca 0.09 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1v95 h GLN 70 Cb 0.27 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1v95 h GLN 70 CO -0.55 0.01 -0.24 0.45 -2.65 0.00 0.00 178.83 175.85 1v95 h HIS 71 N 0.01 -0.64 -0.93 3.99 3.86 -0.62 -1.72 115.15 119.09 1v95 h HIS 71 Ca 0.45 0.00 0.38 0.00 -1.16 0.00 0.00 60.37 60.04 1v95 h HIS 71 Cb 0.76 0.25 -0.17 0.00 1.06 0.00 0.00 27.41 29.31 1v95 h HIS 71 CO -0.63 -0.36 0.45 0.94 0.86 0.00 0.00 177.93 179.20 1v95 n GLN 72 N -5.37 -0.06 0.11 2.45 7.27 0.96 0.20 117.38 122.95 1v95 n GLN 72 Ca -0.08 1.30 -0.13 0.00 0.07 0.00 0.00 57.00 58.15 1v95 n GLN 72 Cb 0.28 -2.30 -0.08 0.00 2.41 0.00 0.00 30.24 30.54 1v95 n GLN 72 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1v95 h ILE 73 N 0.00 0.89 0.00 1.69 2.04 -0.75 -1.78 117.51 119.60 1v95 h ILE 73 Ca 0.77 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 66.26 1v95 h ILE 73 Cb 2.00 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1v95 h ILE 73 CO -0.74 0.09 0.00 1.41 0.00 0.00 0.00 178.15 178.91 1v95 n HIS 74 N -5.12 0.00 -2.09 1.37 8.25 0.46 -4.84 115.22 113.25 1v95 n HIS 74 Ca -0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.29 1v95 n HIS 74 Cb 0.18 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.11 -2.08 -4.35 -0.41 3.00 0.55 -4.90 116.66 107.36 1v95 n ARG 75 Ca 0.16 0.44 -0.22 0.00 -0.01 0.00 0.00 57.85 58.22 1v95 n ARG 75 Cb 0.13 -4.88 -0.11 0.00 0.00 0.00 0.00 32.46 27.60 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1v95 s SER 76 N -1.93 2.82 0.40 0.55 1.04 -1.15 -4.44 113.70 110.98 1v95 s SER 76 Ca 0.00 -0.90 0.03 0.00 0.48 0.00 0.00 55.95 55.57 1v95 s SER 76 Cb 0.00 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1v95 s SER 76 CO 0.00 -0.03 0.09 0.00 0.98 0.00 0.00 173.24 174.28 1v95 s THR 78 N -3.19 2.56 -0.33 0.00 2.01 -1.14 -3.08 115.64 112.47 1v95 s THR 78 Ca 0.26 -0.77 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 1v95 s THR 78 Cb 0.04 -2.12 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1v95 s THR 78 CO 0.13 0.50 0.62 -0.69 -0.69 0.00 0.00 174.62 174.49 1v95 s VAL 79 N 1.34 4.92 -0.25 3.82 1.01 -1.12 -0.78 120.40 129.35 1v95 s VAL 79 Ca 0.05 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 1v95 s VAL 79 Cb -0.14 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.24 1v95 s VAL 79 CO -0.09 -0.21 -0.03 0.20 0.00 0.00 0.00 175.10 174.97 1v95 s ASN 80 N 1.70 4.45 0.28 3.32 -0.87 0.23 -1.84 114.94 122.23 1v95 s ASN 80 Ca 0.24 -0.73 -0.20 0.00 -1.57 0.00 0.00 52.86 50.60 1v95 s ASN 80 Cb -0.15 -1.72 -0.09 0.00 -0.02 0.00 0.00 41.25 39.27 1v95 s ASN 80 CO 0.13 -0.12 0.80 -0.63 -2.57 0.00 0.00 177.10 174.71 1v95 s ILE 81 N 1.39 4.50 -0.04 0.60 1.01 -1.02 -1.03 121.20 126.60 1v95 s ILE 81 Ca 0.02 1.35 0.05 0.00 0.00 0.00 0.00 60.65 62.07 1v95 s ILE 81 Cb -0.16 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 1v95 s ILE 81 CO -0.03 0.06 0.04 0.23 0.00 0.00 0.00 174.94 175.24 1v95 n MET 82 N 0.34 2.46 -3.43 2.79 2.81 0.50 -4.43 117.12 118.17 1v95 n MET 82 Ca 0.01 -0.01 -0.32 0.00 -1.81 0.00 0.00 57.70 55.56 1v95 n MET 82 Cb 0.52 -1.13 -0.05 0.00 -0.71 0.00 0.00 33.22 31.84 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 -2.18 3.43 0.00 2.03 -0.12 -1.24 -4.92 117.98 114.97 1v95 s PHE 83 Ca -0.02 0.85 0.00 0.00 -0.05 0.00 0.00 56.93 57.70 1v95 s PHE 83 Cb 0.02 -2.24 0.00 0.00 -0.63 0.00 0.00 43.02 40.17 1v95 s PHE 83 CO 0.22 0.28 0.00 0.41 -0.05 0.00 0.00 175.22 176.07 1v95 n GLY 84 N -0.14 0.91 3.62 1.99 0.00 -1.26 -4.60 105.19 105.71 1v95 n GLY 84 Ca 0.00 -0.70 -0.51 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 0.03 -2.30 2.61 -1.04 -1.26 -4.83 114.28 107.49 1v95 n THR 85 Ca 0.00 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1v95 n THR 85 Cb 0.00 -1.02 -0.03 0.00 -1.82 0.00 0.00 70.33 67.45 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 0.82 2.95 -0.29 -2.82 0.04 -1.26 -4.86 135.00 129.59 1v95 s PRO 86 Ca 0.84 -0.02 -0.06 0.00 0.04 0.00 0.00 61.00 61.80 1v95 s PRO 86 Cb -0.89 -4.48 0.01 0.00 0.04 0.00 0.00 34.50 29.17 1v95 s PRO 86 CO 0.46 -2.51 0.06 -0.65 0.04 0.00 0.00 177.00 174.40 1v95 s GLN 87 N 6.29 3.07 -0.52 4.56 -1.52 -1.26 -5.01 119.66 125.26 1v95 s GLN 87 Ca 0.52 -0.87 -0.08 0.00 -1.95 0.00 0.00 55.36 52.99 1v95 s GLN 87 Cb -0.09 -3.30 0.13 0.00 -0.22 0.00 0.00 33.01 29.53 1v95 s GLN 87 CO 0.13 -0.43 0.38 -2.00 -0.25 0.00 0.00 175.29 173.12 1v95 s GLU 88 N 1.47 2.52 -0.34 2.91 2.12 -1.26 -2.44 118.70 123.67 1v95 s GLU 88 Ca 0.02 -1.96 -0.28 0.00 0.36 0.00 0.00 54.97 53.12 1v95 s GLU 88 Cb -0.17 -3.89 0.02 0.00 0.26 0.00 0.00 34.13 30.35 1v95 s GLU 88 CO 0.01 -1.18 1.02 -1.01 -0.54 0.00 0.00 175.26 173.56 1v95 s HIS 89 N 1.00 3.11 -0.15 5.30 3.76 -0.76 -5.01 115.29 122.54 1v95 s HIS 89 Ca 0.09 1.02 -0.07 0.00 -0.15 0.00 0.00 55.06 55.95 1v95 s HIS 89 Cb -0.23 -3.70 -0.04 0.00 1.11 0.00 0.00 32.58 29.72 1v95 s HIS 89 CO -0.02 -0.80 0.09 1.03 -0.85 0.00 0.00 174.74 174.19 1v95 s ARG 90 N 3.61 3.65 -0.28 1.40 0.52 -1.26 -2.78 118.95 123.80 1v95 s ARG 90 Ca 0.43 -0.25 -0.04 0.00 -0.52 0.00 0.00 55.73 55.34 1v95 s ARG 90 Cb -0.12 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.19 1v95 s ARG 90 CO 0.17 0.54 0.14 0.09 0.02 0.00 0.00 175.30 176.26 1v95 n ASN 91 N 2.73 -6.99 -3.80 0.23 3.02 -1.26 -5.06 115.26 104.12 1v95 n ASN 91 Ca -0.18 0.98 -0.16 0.00 -0.03 0.00 0.00 54.58 55.19 1v95 n ASN 91 Cb 0.53 -4.62 -0.16 0.00 -0.61 0.00 0.00 39.78 34.92 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 -1.64 0.11 0.34 3.52 -1.94 -1.18 -5.05 119.30 113.47 1v95 s MET 92 Ca 0.06 0.12 -0.27 0.00 -1.71 0.00 0.00 55.69 53.89 1v95 s MET 92 Cb -0.02 -0.33 -0.09 0.00 2.01 0.00 0.00 34.83 36.40 1v95 s MET 92 CO 0.65 -0.13 1.07 -1.25 -0.01 0.00 0.00 175.02 175.34 1v95 s PRO 93 N 0.94 4.40 0.08 2.03 0.04 -1.26 -2.95 135.00 138.28 1v95 s PRO 93 Ca -0.09 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 1v95 s PRO 93 Cb -0.12 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1v95 s PRO 93 CO -0.02 0.04 1.19 1.04 0.04 0.00 0.00 177.00 179.28 1v95 n GLN 94 N 0.54 -0.22 -0.23 4.56 3.00 -1.26 0.16 117.38 123.93 1v95 n GLN 94 Ca 0.02 1.17 -0.06 0.00 -0.01 0.00 0.00 57.00 58.12 1v95 n GLN 94 Cb 0.47 -1.74 -0.05 0.00 0.00 0.00 0.00 30.24 28.92 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 -3.13 -0.35 -0.09 -1.58 0.00 -1.26 0.19 120.51 114.29 1v95 n ALA 95 Ca 0.01 0.47 -0.06 0.00 0.00 0.00 0.00 53.44 53.85 1v95 n ALA 95 Cb 0.13 0.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.26 -0.79 0.00 1.82 -1.31 0.10 116.42 115.99 1v95 h ASP 96 Ca 0.09 0.09 0.16 0.00 -0.39 0.00 0.00 57.03 56.98 1v95 h ASP 96 Cb 0.22 0.18 -0.10 0.00 0.68 0.00 0.00 39.33 40.31 1v95 h ASP 96 CO -0.52 -0.09 0.31 0.00 -1.61 0.00 0.00 179.24 177.34 1v95 h ALA 97 N 1.31 1.13 0.00 -0.78 0.00 0.67 1.22 119.26 122.81 1v95 h ALA 97 Ca 0.15 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1v95 h ALA 97 Cb 0.23 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1v95 h ALA 97 CO -0.31 -0.24 -0.15 0.52 0.00 0.00 0.00 179.25 179.06 1v95 h MET 98 N 0.42 0.00 0.11 0.00 2.86 0.40 0.20 114.93 118.93 1v95 h MET 98 Ca 0.45 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.87 1v95 h MET 98 Cb 0.72 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.39 1v95 h MET 98 CO -0.44 0.15 -1.03 -0.24 1.06 0.00 0.00 176.91 176.41 1v95 h VAL 99 N 0.00 1.30 0.00 -2.22 3.04 0.18 0.25 116.25 118.81 1v95 h VAL 99 Ca -0.00 -2.45 -0.03 0.00 -1.01 0.00 0.00 66.70 63.21 1v95 h VAL 99 Cb 0.32 2.96 -0.00 0.00 -2.01 0.00 0.00 31.29 32.55 1v95 h VAL 99 CO 0.02 0.68 -0.13 0.25 -1.01 0.00 0.00 177.57 177.38 1v95 h LEU 100 N -0.43 0.00 0.01 3.16 6.46 0.14 0.80 115.31 125.45 1v95 h LEU 100 Ca -0.21 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.36 1v95 h LEU 100 Cb 1.63 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.53 1v95 h LEU 100 CO 0.08 0.13 -1.02 1.62 -0.62 0.00 0.00 178.44 178.64 1v95 h VAL 101 N 0.00 1.10 -0.76 1.05 3.04 -0.67 -2.56 116.25 117.46 1v95 h VAL 101 Ca -0.00 -2.22 0.04 0.00 -1.01 0.00 0.00 66.70 63.51 1v95 h VAL 101 Cb 0.26 2.49 -0.04 0.00 -2.01 0.00 0.00 31.29 31.99 1v95 h VAL 101 CO 0.02 0.40 0.50 0.00 -1.01 0.00 0.00 177.57 177.47 1v95 h ALA 102 N -0.36 1.58 0.03 3.17 0.00 -0.29 0.37 119.26 123.76 1v95 h ALA 102 Ca -0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1v95 h ALA 102 Cb 1.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1v95 h ALA 102 CO -0.15 0.33 -0.02 0.00 0.00 0.00 0.00 179.25 179.42 1v95 h ARG 103 N 0.90 -0.05 -0.59 0.00 2.47 0.49 -2.80 114.38 114.79 1v95 h ARG 103 Ca 0.31 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 59.11 1v95 h ARG 103 Cb 0.10 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.32 1v95 h ARG 103 CO -0.09 -0.03 -0.49 -0.91 0.56 0.00 0.00 179.97 179.01 1v95 h ASN 104 N -0.10 -1.68 -0.96 7.04 2.35 -1.42 0.66 115.58 121.47 1v95 h ASN 104 Ca -0.00 0.26 0.16 0.00 -0.55 0.00 0.00 56.30 56.16 1v95 h ASN 104 Cb 0.04 0.74 -0.16 0.00 0.05 0.00 0.00 38.32 38.99 1v95 h ASN 104 CO 0.01 -0.34 -0.37 0.22 -1.65 0.00 0.00 177.43 175.30 1v95 h TYR 105 N -0.24 -1.01 0.00 1.19 3.20 -0.40 0.20 116.97 119.92 1v95 h TYR 105 Ca 0.15 0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1v95 h TYR 105 Cb 0.56 0.58 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1v95 h TYR 105 CO -0.76 -0.41 0.00 0.39 -1.64 0.00 0.00 178.16 175.75 1v95 n GLU 106 N -5.49 0.00 -0.29 1.82 -0.58 0.18 -0.69 120.64 115.58 1v95 n GLU 106 Ca 0.10 0.73 -0.08 0.00 -0.42 0.00 0.00 57.16 57.49 1v95 n GLU 106 Cb 0.41 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.76 1v95 n GLU 106 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1v95 h ARG 107 N 0.00 -0.13 -1.04 3.49 9.65 -0.82 1.52 114.38 127.05 1v95 h ARG 107 Ca 0.00 0.01 0.30 0.00 -1.10 0.00 0.00 59.98 59.19 1v95 h ARG 107 Cb 0.00 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 1v95 h ARG 107 CO 0.00 -0.09 0.81 -0.92 2.80 0.00 0.00 179.97 182.57 1v95 h TYR 108 N -0.14 0.00 0.23 2.20 5.03 -0.31 0.69 116.97 124.67 1v95 h TYR 108 Ca 0.20 0.00 -0.33 0.00 2.58 0.00 0.00 58.73 61.18 1v95 h TYR 108 Cb 0.53 0.00 0.03 0.00 1.55 0.00 0.00 36.73 38.84 1v95 h TYR 108 CO -0.83 0.00 -1.48 0.87 -1.32 0.00 0.00 178.16 175.39 1v95 h LYS 109 N 0.00 0.49 -0.90 1.82 1.57 0.43 -2.82 116.57 117.15 1v95 h LYS 109 Ca 0.49 -0.83 0.23 0.00 -1.87 0.00 0.00 60.65 58.67 1v95 h LYS 109 Cb 2.11 0.31 -0.05 0.00 0.08 0.00 0.00 32.23 34.68 1v95 h LYS 109 CO -0.01 1.40 0.61 -0.91 -0.57 0.00 0.00 179.45 179.98 1v95 h ASN 110 N 0.08 0.22 1.09 0.86 2.35 0.36 0.84 115.58 121.38 1v95 h ASN 110 Ca -0.27 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.36 1v95 h ASN 110 Cb 2.10 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 40.43 1v95 h ASN 110 CO 0.24 0.08 -0.96 -0.33 -1.65 0.00 0.00 177.43 174.81 1v95 h GLU 111 N 0.22 0.00 -0.01 0.81 5.08 -1.39 -3.32 114.58 115.96 1v95 h GLU 111 Ca 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1v95 h GLU 111 Cb 1.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1v95 h GLU 111 CO -0.11 0.47 0.01 0.00 -1.00 0.00 0.00 179.01 178.38 1v95 h ARG 113 N -0.08 0.02 0.07 0.00 9.65 -1.30 1.10 114.38 123.84 1v95 h ARG 113 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1v95 h ARG 113 Cb 0.10 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1v95 h ARG 113 CO -0.00 0.01 -0.05 1.49 2.80 0.00 0.00 179.97 184.22 1v95 h GLU 114 N 0.02 -0.12 -3.94 0.20 4.81 -1.53 -3.18 114.58 110.84 1v95 h GLU 114 Ca 0.88 0.01 -0.70 0.00 -0.13 0.00 0.00 59.36 59.42 1v95 h GLU 114 Cb 3.02 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 32.40 1v95 h GLU 114 CO -0.34 -0.08 3.14 1.63 -0.73 0.00 0.00 179.01 182.64 1v95 n LYS 115 N -5.15 2.82 0.00 1.92 4.76 0.38 -4.77 118.16 118.12 1v95 n LYS 115 Ca -0.07 -2.51 0.00 0.00 -2.87 0.00 0.00 58.31 52.86 1v95 n LYS 115 Cb 0.09 -3.22 0.00 0.00 -1.84 0.00 0.00 35.03 30.06 1v95 n LYS 115 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1v95 n GLU 116 N 5.94 -1.88 -1.05 1.97 -0.58 -1.20 -5.00 120.64 118.84 1v95 n GLU 116 Ca 0.54 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.92 1v95 n GLU 116 Cb 0.38 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.23 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 -0.23 0.00 -0.92 3.49 1.74 -1.26 -4.78 116.66 114.70 1v95 n ARG 117 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1v95 n ARG 117 Cb 0.00 -0.76 0.07 0.00 -1.02 0.00 0.00 32.46 30.75 1v95 n ARG 117 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1v95 n GLU 118 N 0.82 -0.25 -1.92 5.56 1.02 -1.26 -4.90 120.64 119.71 1v95 n GLU 118 Ca 0.13 -0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.94 1v95 n GLU 118 Cb 0.22 -1.28 0.03 0.00 -0.02 0.00 0.00 31.44 30.39 1v95 n GLU 118 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1v95 n GLU 119 N 1.01 3.44 -1.00 3.49 0.00 -1.26 -4.93 120.64 121.40 1v95 n GLU 119 Ca 0.00 -4.03 -0.44 0.00 0.00 0.00 0.00 57.16 52.70 1v95 n GLU 119 Cb 0.60 -2.28 -0.07 0.00 0.00 0.00 0.00 31.44 29.69 1v95 n GLU 119 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1v95 n ILE 120 N -0.74 1.40 -2.67 6.31 5.41 -1.26 -3.76 119.36 124.06 1v95 n ILE 120 Ca 0.47 -1.22 -0.05 0.00 1.00 0.00 0.00 62.75 62.96 1v95 n ILE 120 Cb 0.90 -2.25 0.06 0.00 -0.71 0.00 0.00 39.64 37.64 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 7.80 -0.31 -3.64 -1.39 0.00 -1.26 -5.13 120.51 116.58 1v95 n ALA 121 Ca 0.49 -0.82 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 1v95 n ALA 121 Cb 0.41 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 0.11 0.30 0.00 0.00 3.00 -1.25 -5.17 118.95 115.95 1v95 s ARG 122 Ca 0.11 0.44 0.06 0.00 -1.00 0.00 0.00 55.73 55.35 1v95 s ARG 122 Cb 0.24 0.10 -0.02 0.00 0.00 0.00 0.00 34.95 35.27 1v95 s ARG 122 CO -0.06 -0.05 -0.18 1.14 0.00 0.00 0.00 175.30 176.15 1v95 s GLN 123 N 0.76 1.38 0.07 5.12 -2.07 -1.26 -5.12 119.66 118.53 1v95 s GLN 123 Ca -0.03 -0.70 -0.20 0.00 -1.82 0.00 0.00 55.36 52.61 1v95 s GLN 123 Cb -0.04 -1.37 0.07 0.00 -1.09 0.00 0.00 33.01 30.58 1v95 s GLN 123 CO -0.12 0.37 0.92 0.00 -1.32 0.00 0.00 175.29 175.14 1v95 n ALA 124 N 2.43 -2.51 -2.17 2.60 0.00 -1.26 -5.18 120.51 114.42 1v95 n ALA 124 Ca -0.15 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.35 1v95 n ALA 124 Cb 0.54 0.29 -0.01 0.00 0.00 0.00 0.00 19.45 20.27 1v95 n ALA 124 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1v95 s SER 125 N -3.11 5.14 -0.38 0.00 0.01 -1.26 -5.09 113.70 109.00 1v95 s SER 125 Ca 0.21 -0.75 -0.09 0.00 1.31 0.00 0.00 55.95 56.62 1v95 s SER 125 Cb -0.01 -0.34 0.05 0.00 0.21 0.00 0.00 66.02 65.92 1v95 s SER 125 CO 0.02 -0.83 0.20 -0.83 0.41 0.00 0.00 173.24 172.22 1v95 s GLY 126 N -4.27 1.93 1.10 3.44 0.00 -1.26 -5.09 107.32 103.17 1v95 s GLY 126 Ca 0.50 -1.88 -0.18 0.00 0.00 0.00 0.00 44.72 43.15 1v95 s GLY 126 CO 0.30 0.88 1.23 2.56 0.00 0.00 0.00 173.10 178.06 1v95 s PRO 127 N 1.48 -0.42 0.43 2.90 0.04 -1.26 -5.09 135.00 133.08 1v95 s PRO 127 Ca 0.01 -0.30 0.07 0.00 0.04 0.00 0.00 61.00 60.83 1v95 s PRO 127 Cb -0.21 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1v95 s PRO 127 CO 0.04 -3.14 0.24 -1.54 0.04 0.00 0.00 177.00 172.64 1v95 s SER 128 N -4.44 4.57 0.37 6.66 1.04 -1.26 -5.15 113.70 115.49 1v95 s SER 128 Ca 0.73 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1v95 s SER 128 Cb -0.06 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1v95 s SER 128 CO 0.55 -0.63 0.08 -0.94 0.98 0.00 0.00 173.24 173.28 1v95 s SER 129 N -3.99 2.68 0.00 7.02 1.04 -1.26 -5.34 113.70 113.85 1v95 s SER 129 Ca 0.41 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1v95 s SER 129 Cb 0.02 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1v95 s SER 129 CO 0.23 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.30