#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 -0.10 0.11 1.61 0.15 -1.26 -5.19 113.70 109.03 1v95 s SER 2 Ca 0.00 0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.67 1v95 s SER 2 Cb 0.00 0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.73 1v95 s SER 2 CO 0.00 -0.03 0.38 -0.55 1.20 0.00 0.00 173.24 174.24 1v95 s SER 3 N 0.29 -0.20 0.00 5.45 0.15 -1.26 -5.13 113.70 113.00 1v95 s SER 3 Ca 0.03 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1v95 s SER 3 Cb -0.04 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1v95 s SER 3 CO -0.14 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1v95 n GLY 4 N -0.14 0.44 2.95 9.45 0.00 -1.26 -5.09 105.19 111.54 1v95 n GLY 4 Ca -0.16 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 1v95 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v95 n SER 5 N 0.00 -7.55 -3.89 1.61 7.64 -1.26 -5.00 113.62 105.17 1v95 n SER 5 Ca 0.00 0.52 -0.30 0.00 1.01 0.00 0.00 58.87 60.10 1v95 n SER 5 Cb 0.00 -4.71 -0.15 0.00 -1.01 0.00 0.00 64.21 58.34 1v95 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v95 s SER 6 N -2.29 4.21 0.21 6.43 0.15 -1.26 -5.12 113.70 116.04 1v95 s SER 6 Ca 0.24 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 55.22 1v95 s SER 6 Cb -0.06 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 1v95 s SER 6 CO 0.77 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1v95 n GLY 7 N 4.60 -0.27 3.82 9.45 0.00 -1.26 -5.06 105.19 116.47 1v95 n GLY 7 Ca -0.03 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 1v95 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v95 s PRO 8 N -0.29 2.96 -0.09 1.61 0.04 -1.26 -5.03 135.00 132.94 1v95 s PRO 8 Ca 0.00 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.04 1v95 s PRO 8 Cb 0.00 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1v95 s PRO 8 CO 0.00 -1.08 -0.18 0.08 0.04 0.00 0.00 177.00 175.86 1v95 s VAL 9 N -3.01 1.63 0.21 -0.36 1.01 -1.26 -4.97 120.40 113.65 1v95 s VAL 9 Ca 0.58 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 1v95 s VAL 9 Cb -0.14 -1.44 0.14 0.00 0.00 0.00 0.00 36.38 34.94 1v95 s VAL 9 CO 0.54 0.46 1.74 0.44 0.00 0.00 0.00 175.10 178.28 1v95 h ASP 10 N 7.01 0.21 -2.82 3.32 3.32 -1.73 -3.32 116.42 122.42 1v95 h ASP 10 Ca -0.27 0.08 -0.43 0.00 0.02 0.00 0.00 57.03 56.43 1v95 h ASP 10 Cb 1.20 0.06 -0.39 0.00 0.22 0.00 0.00 39.33 40.42 1v95 h ASP 10 CO 0.48 0.13 -0.72 0.00 -1.72 0.00 0.00 179.24 177.41 1v95 s SER 12 N 2.19 6.56 -0.34 0.00 1.04 -0.28 -3.06 113.70 119.80 1v95 s SER 12 Ca 0.05 0.67 -0.22 0.00 0.48 0.00 0.00 55.95 56.93 1v95 s SER 12 Cb -0.16 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1v95 s SER 12 CO -0.16 -0.14 0.72 -0.69 0.98 0.00 0.00 173.24 173.95 1v95 s VAL 13 N 1.44 4.81 -0.40 5.02 1.01 0.25 0.14 120.40 132.67 1v95 s VAL 13 Ca 0.24 0.85 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 1v95 s VAL 13 Cb -0.15 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1v95 s VAL 13 CO 0.09 -0.33 0.53 -0.63 0.00 0.00 0.00 175.10 174.77 1v95 s ILE 14 N 2.90 4.97 -0.39 2.22 -1.09 0.44 -0.69 121.20 129.57 1v95 s ILE 14 Ca 0.29 0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.82 1v95 s ILE 14 Cb -0.14 -4.06 0.11 0.00 -1.58 0.00 0.00 42.46 36.79 1v95 s ILE 14 CO 0.15 -0.39 0.15 0.54 -1.23 0.00 0.00 174.94 174.15 1v95 s VAL 15 N 2.46 1.68 0.27 2.92 0.11 -0.33 0.19 120.40 127.70 1v95 s VAL 15 Ca 0.18 -2.27 0.11 0.00 -2.93 0.00 0.00 61.98 57.06 1v95 s VAL 15 Cb -0.15 -2.22 -0.02 0.00 -1.53 0.00 0.00 36.38 32.45 1v95 s VAL 15 CO 0.15 -0.73 1.61 -0.37 -3.33 0.00 0.00 175.10 172.43 1v95 h VAL 16 N 6.04 1.43 -3.62 2.04 -1.51 -1.74 -2.16 116.25 116.74 1v95 h VAL 16 Ca -0.07 -2.12 -0.62 0.00 -1.23 0.00 0.00 66.70 62.67 1v95 h VAL 16 Cb 0.97 2.14 -0.13 0.00 -2.13 0.00 0.00 31.29 32.14 1v95 h VAL 16 CO 0.52 0.60 -0.22 0.20 -1.23 0.00 0.00 177.57 177.44 1v95 s ASN 17 N -6.84 6.32 0.18 4.19 0.01 -1.26 -3.62 114.94 113.92 1v95 s ASN 17 Ca -0.01 0.37 -0.09 0.00 -0.71 0.00 0.00 52.86 52.42 1v95 s ASN 17 Cb 0.13 -2.22 0.06 0.00 0.41 0.00 0.00 41.25 39.63 1v95 s ASN 17 CO 0.76 -0.14 1.64 0.11 -1.51 0.00 0.00 177.10 177.96 1v95 h LYS 18 N 7.84 1.06 -1.00 -0.60 1.79 -1.89 -2.81 116.57 120.98 1v95 h LYS 18 Ca -0.33 -0.33 0.37 0.00 -2.18 0.00 0.00 60.65 58.18 1v95 h LYS 18 Cb 1.16 -0.10 -0.18 0.00 -1.58 0.00 0.00 32.23 31.53 1v95 h LYS 18 CO 0.67 1.03 0.41 0.37 -1.08 0.00 0.00 179.45 180.85 1v95 h GLN 19 N 0.96 0.03 -3.11 3.15 -0.00 -1.97 -0.56 115.11 113.61 1v95 h GLN 19 Ca 0.17 -0.00 -0.74 0.00 -0.00 0.00 0.00 58.65 58.08 1v95 h GLN 19 Cb 0.55 -0.01 -0.12 0.00 0.00 0.00 0.00 27.48 27.90 1v95 h GLN 19 CO 0.03 0.02 2.39 0.25 0.00 0.00 0.00 178.83 181.51 1v95 n THR 20 N -5.30 4.68 -0.09 2.39 -2.24 -1.06 -4.54 114.28 108.12 1v95 n THR 20 Ca 0.34 -4.16 -0.14 0.00 -2.27 0.00 0.00 64.05 57.81 1v95 n THR 20 Cb 1.12 -2.27 -0.07 0.00 -2.10 0.00 0.00 70.33 67.01 1v95 n THR 20 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1v95 n LYS 21 N 3.04 0.52 0.23 -0.78 4.81 -0.22 -3.65 118.16 122.11 1v95 n LYS 21 Ca 0.53 0.54 -0.14 0.00 -0.87 0.00 0.00 58.31 58.37 1v95 n LYS 21 Cb 0.30 -1.71 -0.08 0.00 0.02 0.00 0.00 35.03 33.57 1v95 n LYS 21 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1v95 h ASP 22 N -1.00 -0.51 -0.89 3.14 3.32 -1.86 0.29 116.42 118.92 1v95 h ASP 22 Ca -0.20 -0.09 0.18 0.00 0.02 0.00 0.00 57.03 56.94 1v95 h ASP 22 Cb 0.96 0.13 -0.17 0.00 0.22 0.00 0.00 39.33 40.48 1v95 h ASP 22 CO -0.12 -0.17 -0.19 0.22 -1.72 0.00 0.00 179.24 177.26 1v95 h TYR 23 N -0.90 -0.41 -0.30 4.55 5.03 -1.88 0.57 116.97 123.63 1v95 h TYR 23 Ca -0.06 0.08 -0.14 0.00 2.58 0.00 0.00 58.73 61.18 1v95 h TYR 23 Cb 0.57 0.32 -0.00 0.00 1.55 0.00 0.00 36.73 39.17 1v95 h TYR 23 CO 0.01 -0.38 -0.36 0.00 -1.32 0.00 0.00 178.16 176.11 1v95 h ALA 24 N 1.88 0.45 -0.16 1.82 0.00 -1.61 -2.64 119.26 119.00 1v95 h ALA 24 Ca 0.44 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1v95 h ALA 24 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1v95 h ALA 24 CO -0.90 0.52 0.53 0.93 0.00 0.00 0.00 179.25 180.33 1v95 h GLU 25 N 0.53 0.00 0.00 0.00 5.08 0.39 -0.63 114.58 119.95 1v95 h GLU 25 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1v95 h GLU 25 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1v95 h GLU 25 CO 0.09 0.00 -0.05 1.03 -1.00 0.00 0.00 179.01 179.08 1v95 h SER 26 N 0.00 0.00 -1.65 1.42 0.87 -0.78 -2.80 113.55 110.61 1v95 h SER 26 Ca 0.08 0.00 0.51 0.00 -1.23 0.00 0.00 61.79 61.15 1v95 h SER 26 Cb 1.13 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.99 1v95 h SER 26 CO -0.00 0.14 1.14 0.55 -0.53 0.00 0.00 176.83 178.12 1v95 n VAL 27 N -2.69 -0.11 -0.04 2.23 3.14 -0.83 0.19 118.33 120.22 1v95 n VAL 27 Ca -0.01 1.58 -0.14 0.00 -2.96 0.00 0.00 64.34 62.81 1v95 n VAL 27 Cb 0.03 -2.60 -0.11 0.00 -1.06 0.00 0.00 33.84 30.09 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 0.03 2.00 7.55 0.00 -1.27 -3.04 103.07 108.35 1v95 h GLY 28 Ca 0.88 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 48.13 1v95 h GLY 28 CO -0.21 0.04 -0.16 0.07 0.00 0.00 0.00 176.54 176.28 1v95 h ARG 29 N -0.65 0.00 -0.56 4.80 0.11 0.24 -2.08 114.38 116.24 1v95 h ARG 29 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1v95 h ARG 29 Cb 0.72 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.77 1v95 h ARG 29 CO 0.01 0.16 0.20 0.87 0.10 0.00 0.00 179.97 181.31 1v95 h LYS 30 N 0.00 0.86 0.00 0.08 1.79 0.23 0.11 116.57 119.65 1v95 h LYS 30 Ca -0.00 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.23 1v95 h LYS 30 Cb 0.37 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1v95 h LYS 30 CO 0.02 0.77 -0.31 0.28 -1.08 0.00 0.00 179.45 179.12 1v95 h VAL 31 N 0.78 0.82 -0.03 0.50 2.07 -1.27 -2.71 116.25 116.42 1v95 h VAL 31 Ca 0.18 -1.29 -0.20 0.00 0.82 0.00 0.00 66.70 66.21 1v95 h VAL 31 Cb 0.25 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1v95 h VAL 31 CO -0.01 0.31 -0.85 0.03 0.02 0.00 0.00 177.57 177.07 1v95 h ARG 32 N 0.00 0.36 0.00 1.57 3.08 -0.78 -2.67 114.38 115.94 1v95 h ARG 32 Ca -0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1v95 h ARG 32 Cb 0.77 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1v95 h ARG 32 CO 0.04 1.02 0.04 0.22 -1.07 0.00 0.00 179.97 180.21 1v95 h ASP 33 N 0.22 0.00 0.50 7.04 1.82 -0.47 1.01 116.42 126.54 1v95 h ASP 33 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1v95 h ASP 33 Cb 1.46 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.47 1v95 h ASP 33 CO 0.14 0.00 -0.55 0.18 -1.61 0.00 0.00 179.24 177.40 1v95 n LEU 34 N -2.74 0.54 -0.02 2.28 4.77 -1.08 -4.93 117.00 115.82 1v95 n LEU 34 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1v95 n LEU 34 Cb 0.09 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1v95 n LEU 34 CO 0.15 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1v95 n GLY 35 N 1.48 1.45 3.40 -0.72 0.00 0.35 -5.09 105.19 106.06 1v95 n GLY 35 Ca 0.05 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.82 2.42 0.10 1.61 1.00 -1.03 -5.01 119.30 116.57 1v95 s MET 36 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 55.69 54.59 1v95 s MET 36 Cb 0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 34.83 32.49 1v95 s MET 36 CO 0.00 0.56 1.48 0.08 0.00 0.00 0.00 175.02 177.14 1v95 s VAL 37 N -0.58 3.14 0.05 -6.03 1.01 -1.26 -3.55 120.40 113.18 1v95 s VAL 37 Ca 0.08 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.86 1v95 s VAL 37 Cb -0.11 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1v95 s VAL 37 CO 0.01 0.04 -0.13 -0.69 0.00 0.00 0.00 175.10 174.33 1v95 s VAL 38 N 1.59 0.97 0.17 2.92 1.01 -1.26 -1.11 120.40 124.69 1v95 s VAL 38 Ca 0.68 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1v95 s VAL 38 Cb -0.38 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1v95 s VAL 38 CO 0.30 -0.16 0.08 -0.62 0.00 0.00 0.00 175.10 174.71 1v95 s ASP 39 N -1.43 0.41 -0.12 3.32 2.15 -1.17 -5.01 116.67 114.82 1v95 s ASP 39 Ca -0.02 -1.29 0.02 0.00 0.43 0.00 0.00 52.55 51.69 1v95 s ASP 39 Cb -0.09 0.30 0.01 0.00 -0.30 0.00 0.00 42.92 42.84 1v95 s ASP 39 CO 0.01 -0.76 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.32 1v95 s LEU 40 N -3.13 1.84 -0.37 -1.34 1.02 -1.26 -0.59 118.68 114.86 1v95 s LEU 40 Ca 0.31 -0.48 -0.05 0.00 0.02 0.00 0.00 54.13 53.93 1v95 s LEU 40 Cb 0.07 -1.20 0.07 0.00 0.02 0.00 0.00 46.19 45.15 1v95 s LEU 40 CO 0.07 0.04 0.15 -0.63 0.02 0.00 0.00 176.35 176.00 1v95 s ILE 41 N 0.93 3.60 -0.33 -0.59 1.01 0.13 -4.98 121.20 120.96 1v95 s ILE 41 Ca -0.07 -1.49 -0.19 0.00 0.00 0.00 0.00 60.65 58.90 1v95 s ILE 41 Cb -0.15 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 1v95 s ILE 41 CO -0.02 -0.38 0.57 -0.36 0.00 0.00 0.00 174.94 174.75 1v95 s PHE 42 N 1.31 3.19 -0.75 3.97 0.08 -1.25 -1.19 117.98 123.33 1v95 s PHE 42 Ca 0.01 0.36 0.03 0.00 0.12 0.00 0.00 56.93 57.46 1v95 s PHE 42 Cb -0.21 -2.97 0.24 0.00 -0.57 0.00 0.00 43.02 39.51 1v95 s PHE 42 CO -0.00 -0.52 0.81 1.28 -0.10 0.00 0.00 175.22 176.69 1v95 n LEU 43 N 5.83 4.08 -0.27 -0.37 4.77 -0.81 -4.88 117.00 125.34 1v95 n LEU 43 Ca -0.03 -5.33 0.01 0.00 -0.03 0.00 0.00 56.01 50.63 1v95 n LEU 43 Cb 0.49 -0.83 0.14 0.00 -2.33 0.00 0.00 43.42 40.88 1v95 n LEU 43 CO 0.46 1.88 1.13 -0.55 -1.33 0.00 0.00 177.39 178.98 1v95 h ASN 44 N 4.84 0.67 0.00 -1.43 -1.07 -1.85 -3.41 115.58 113.33 1v95 h ASN 44 Ca 0.19 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.59 1v95 h ASN 44 Cb 0.69 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 1v95 h ASN 44 CO 0.89 0.41 0.00 0.41 0.07 0.00 0.00 177.43 179.21 1v95 n THR 45 N -4.73 0.00 -1.50 6.14 -1.04 -1.26 -4.97 114.28 106.92 1v95 n THR 45 Ca 0.11 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.61 1v95 n THR 45 Cb 0.22 -0.06 -0.05 0.00 -1.82 0.00 0.00 70.33 68.62 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 -2.23 0.51 0.00 -2.82 1.02 -1.26 -4.54 120.64 111.32 1v95 n GLU 46 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1v95 n GLU 46 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 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 0.99 0.00 -4.03 2.62 0.24 -1.26 -4.83 118.33 112.06 1v95 n VAL 47 Ca 0.17 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.36 1v95 n VAL 47 Cb 0.21 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.54 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 -3.60 -0.65 0.40 -1.34 7.64 -1.26 -5.01 113.62 109.79 1v95 n SER 48 Ca 0.00 -2.28 -0.19 0.00 1.01 0.00 0.00 58.87 57.41 1v95 n SER 48 Cb 0.00 1.32 -0.10 0.00 -1.01 0.00 0.00 64.21 64.42 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 -1.26 -0.55 -3.43 6.46 -1.95 -2.39 115.31 112.18 1v95 h LEU 49 Ca -0.16 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.77 1v95 h LEU 49 Cb 0.75 0.38 -0.10 0.00 -0.73 0.00 0.00 40.66 40.95 1v95 h LEU 49 CO 0.22 -0.73 -0.42 0.77 -0.62 0.00 0.00 178.44 177.67 1v95 h SER 50 N -1.15 -1.42 -1.21 1.25 4.64 -1.97 0.80 113.55 114.48 1v95 h SER 50 Ca -0.09 0.24 0.39 0.00 -0.47 0.00 0.00 61.79 61.85 1v95 h SER 50 Cb 0.94 0.65 -0.12 0.00 -0.31 0.00 0.00 62.40 63.56 1v95 h SER 50 CO 0.07 -0.34 0.77 -0.61 -0.87 0.00 0.00 176.83 175.85 1v95 h GLN 51 N -0.23 0.17 0.16 4.77 -0.00 -1.91 1.52 115.11 119.58 1v95 h GLN 51 Ca 0.18 -0.01 -0.30 0.00 -0.00 0.00 0.00 58.65 58.52 1v95 h GLN 51 Cb 0.56 -0.04 0.02 0.00 0.00 0.00 0.00 27.48 28.03 1v95 h GLN 51 CO -0.67 0.11 -1.30 0.00 0.00 0.00 0.00 178.83 176.97 1v95 h ALA 52 N 1.64 0.01 -0.08 3.38 0.00 0.90 -3.02 119.26 122.09 1v95 h ALA 52 Ca 0.76 -0.83 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1v95 h ALA 52 Cb 2.23 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.11 1v95 h ALA 52 CO -0.42 0.80 0.06 -0.07 0.00 0.00 0.00 179.25 179.61 1v95 h LEU 53 N 0.16 0.00 0.21 0.00 3.38 0.59 0.14 115.31 119.79 1v95 h LEU 53 Ca -0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1v95 h LEU 53 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1v95 h LEU 53 CO 0.23 0.00 -0.10 -0.08 0.09 0.00 0.00 178.44 178.58 1v95 h GLU 54 N 0.00 -0.27 -0.01 1.13 4.81 -0.53 -2.80 114.58 116.90 1v95 h GLU 54 Ca 0.04 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1v95 h GLU 54 Cb 0.16 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1v95 h GLU 54 CO -0.00 0.11 0.02 0.22 -0.73 0.00 0.00 179.01 178.63 1v95 h ASP 55 N -0.88 0.00 0.39 1.04 1.82 -1.31 0.48 116.42 117.97 1v95 h ASP 55 Ca -0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 1v95 h ASP 55 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1v95 h ASP 55 CO 0.05 0.00 -0.19 0.58 -1.61 0.00 0.00 179.24 178.07 1v95 h VAL 56 N 0.00 0.00 0.38 2.25 2.07 -0.63 0.13 116.25 120.44 1v95 h VAL 56 Ca 0.01 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1v95 h VAL 56 Cb 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1v95 h VAL 56 CO -0.00 0.00 -0.18 -1.28 0.02 0.00 0.00 177.57 176.13 1v95 h SER 57 N -0.64 -0.43 -0.50 0.57 0.87 -1.20 0.26 113.55 112.47 1v95 h SER 57 Ca -0.05 -0.13 0.15 0.00 -1.23 0.00 0.00 61.79 60.52 1v95 h SER 57 Cb 0.40 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1v95 h SER 57 CO 0.09 -0.08 0.53 0.08 -0.53 0.00 0.00 176.83 176.92 1v95 h ARG 58 N -0.84 0.00 0.05 2.24 -0.00 -0.18 0.61 114.38 116.26 1v95 h ARG 58 Ca -0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.67 1v95 h ARG 58 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.48 1v95 h ARG 58 CO 0.09 0.00 -1.33 0.78 -0.00 0.00 0.00 179.97 179.51 1v95 h GLY 59 N 0.00 0.11 0.00 0.08 0.00 -0.41 -3.48 103.07 99.37 1v95 h GLY 59 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1v95 h GLY 59 CO -0.00 0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1v95 n GLY 60 N 1.50 1.00 3.21 4.60 0.00 0.21 -4.61 105.19 111.10 1v95 n GLY 60 Ca -0.09 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.34 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 0.85 -0.02 1.61 7.64 0.76 -4.81 113.62 119.66 1v95 n SER 61 Ca 0.00 0.80 -0.16 0.00 1.01 0.00 0.00 58.87 60.52 1v95 n SER 61 Cb 0.00 -0.84 -0.11 0.00 -1.01 0.00 0.00 64.21 62.26 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 7.20 0.32 -6.43 1.43 0.13 -1.69 -3.35 132.00 129.62 1v95 h PRO 62 Ca -0.20 -0.32 -0.68 0.00 -0.87 0.00 0.00 66.00 63.93 1v95 h PRO 62 Cb 1.32 0.08 -0.21 0.00 0.13 0.00 0.00 31.00 32.32 1v95 h PRO 62 CO 0.99 0.99 -0.76 -0.06 -0.23 0.00 0.00 178.00 178.93 1v95 s PHE 63 N -3.32 2.70 -0.03 1.56 0.08 -0.92 0.19 117.98 118.23 1v95 s PHE 63 Ca -0.14 -0.16 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 1v95 s PHE 63 Cb 0.03 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1v95 s PHE 63 CO 0.78 0.28 0.05 0.00 -0.10 0.00 0.00 175.22 176.24 1v95 s ALA 64 N -0.91 0.14 -0.00 5.36 0.00 -1.07 -1.13 121.76 124.14 1v95 s ALA 64 Ca 0.15 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 1v95 s ALA 64 Cb -0.11 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1v95 s ALA 64 CO 0.05 -0.32 0.32 0.42 0.00 0.00 0.00 175.76 176.24 1v95 s ILE 65 N 1.67 5.20 -0.19 0.00 1.01 0.12 -2.21 121.20 126.80 1v95 s ILE 65 Ca -0.02 0.48 -0.07 0.00 0.00 0.00 0.00 60.65 61.04 1v95 s ILE 65 Cb -0.12 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1v95 s ILE 65 CO -0.03 0.47 0.05 0.54 0.00 0.00 0.00 174.94 175.97 1v95 s VAL 66 N -1.20 4.60 0.08 2.92 0.11 -0.80 0.17 120.40 126.27 1v95 s VAL 66 Ca 0.25 -0.10 0.08 0.00 -2.93 0.00 0.00 61.98 59.28 1v95 s VAL 66 Cb -0.14 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.60 1v95 s VAL 66 CO 0.13 0.45 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.52 1v95 s ILE 67 N 0.55 1.63 -0.15 7.04 -1.09 0.50 -3.29 121.20 126.40 1v95 s ILE 67 Ca 0.02 -1.38 -0.34 0.00 -2.23 0.00 0.00 60.65 56.73 1v95 s ILE 67 Cb -0.13 -1.46 0.13 0.00 -1.58 0.00 0.00 42.46 39.42 1v95 s ILE 67 CO 0.01 0.03 1.15 0.28 -1.23 0.00 0.00 174.94 175.19 1v95 s THR 68 N -1.02 0.00 0.12 2.92 -1.32 -1.26 -3.59 115.64 111.50 1v95 s THR 68 Ca 0.06 -0.02 -0.31 0.00 -1.21 0.00 0.00 61.69 60.21 1v95 s THR 68 Cb -0.09 -1.06 -0.10 0.00 -1.51 0.00 0.00 72.50 69.74 1v95 s THR 68 CO 0.03 0.00 1.52 -0.61 -2.21 0.00 0.00 174.62 173.35 1v95 h GLN 69 N 2.00 -0.36 -0.75 7.08 -0.00 -1.98 0.37 115.11 121.46 1v95 h GLN 69 Ca -0.12 0.02 0.17 0.00 -0.00 0.00 0.00 58.65 58.72 1v95 h GLN 69 Cb 1.18 0.08 -0.13 0.00 0.00 0.00 0.00 27.48 28.61 1v95 h GLN 69 CO 0.24 -0.24 -0.01 0.37 0.00 0.00 0.00 178.83 179.19 1v95 h GLN 70 N -0.38 0.09 -0.99 1.69 4.15 -2.00 0.68 115.11 118.36 1v95 h GLN 70 Ca 0.07 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1v95 h GLN 70 Cb 0.56 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.18 1v95 h GLN 70 CO -0.56 0.06 0.65 0.45 -1.93 0.00 0.00 178.83 177.50 1v95 h HIS 71 N 0.09 1.23 -0.04 3.99 3.86 -1.17 0.94 115.15 124.06 1v95 h HIS 71 Ca 0.41 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.66 1v95 h HIS 71 Cb 0.71 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 1v95 h HIS 71 CO -0.43 0.74 0.20 0.37 0.86 0.00 0.00 177.93 179.67 1v95 h GLN 72 N 1.30 0.00 0.00 2.45 4.15 0.43 1.49 115.11 124.94 1v95 h GLN 72 Ca 0.38 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.63 1v95 h GLN 72 Cb -0.07 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1v95 h GLN 72 CO -0.10 0.00 -0.94 0.82 -1.93 0.00 0.00 178.83 176.68 1v95 h ILE 73 N 0.00 1.15 0.00 2.39 2.04 -0.35 -3.32 117.51 119.41 1v95 h ILE 73 Ca 0.02 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1v95 h ILE 73 Cb 0.42 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1v95 h ILE 73 CO -0.00 0.40 0.00 1.41 0.00 0.00 0.00 178.15 179.96 1v95 n HIS 74 N -4.46 0.00 -3.92 1.37 8.25 -0.46 -4.86 115.22 111.15 1v95 n HIS 74 Ca -0.26 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.89 1v95 n HIS 74 Cb 0.64 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.14 -2.87 -4.22 -0.41 5.12 0.50 -4.92 116.66 108.72 1v95 n ARG 75 Ca 0.15 0.34 -0.13 0.00 -1.93 0.00 0.00 57.85 56.28 1v95 n ARG 75 Cb 0.14 -5.04 -0.10 0.00 -1.16 0.00 0.00 32.46 26.31 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 -3.03 1.59 0.38 0.55 1.04 -1.06 -4.42 113.70 108.76 1v95 s SER 76 Ca 0.62 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1v95 s SER 76 Cb -0.34 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.77 1v95 s SER 76 CO 0.76 -0.36 0.11 0.00 0.98 0.00 0.00 173.24 174.72 1v95 s THR 78 N -3.25 2.05 -0.15 0.00 2.01 -1.21 -2.90 115.64 112.20 1v95 s THR 78 Ca 0.27 -1.59 -0.20 0.00 0.31 0.00 0.00 61.69 60.48 1v95 s THR 78 Cb 0.04 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1v95 s THR 78 CO 0.14 -0.07 0.59 -0.69 -0.69 0.00 0.00 174.62 173.90 1v95 s VAL 79 N 1.15 5.08 -0.16 3.82 1.01 -0.84 -1.91 120.40 128.55 1v95 s VAL 79 Ca -0.08 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.05 1v95 s VAL 79 Cb -0.20 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.31 1v95 s VAL 79 CO -0.05 0.21 -0.04 0.20 0.00 0.00 0.00 175.10 175.42 1v95 s ASN 80 N 0.94 2.73 0.49 3.32 0.01 -0.94 -0.78 114.94 120.71 1v95 s ASN 80 Ca 0.29 -0.63 -0.20 0.00 -0.71 0.00 0.00 52.86 51.61 1v95 s ASN 80 Cb -0.16 -0.83 -0.08 0.00 0.41 0.00 0.00 41.25 40.59 1v95 s ASN 80 CO 0.12 -0.20 1.04 -0.63 -1.51 0.00 0.00 177.10 175.91 1v95 s ILE 81 N 1.69 3.81 0.00 0.60 1.01 -0.98 -2.61 121.20 124.72 1v95 s ILE 81 Ca 0.01 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.76 1v95 s ILE 81 Cb -0.15 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1v95 s ILE 81 CO -0.07 -0.26 0.38 0.23 0.00 0.00 0.00 174.94 175.22 1v95 n MET 82 N -1.03 -0.52 -4.46 2.79 2.81 0.51 -4.33 117.12 112.90 1v95 n MET 82 Ca 0.09 -0.41 -0.20 0.00 -1.81 0.00 0.00 57.70 55.37 1v95 n MET 82 Cb 0.53 -0.85 -0.14 0.00 -0.71 0.00 0.00 33.22 32.04 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 -0.05 1.07 -0.03 2.03 -0.12 -1.26 -4.94 117.98 114.69 1v95 s PHE 83 Ca 0.00 -0.24 -0.03 0.00 -0.05 0.00 0.00 56.93 56.61 1v95 s PHE 83 Cb 0.00 -0.67 0.01 0.00 -0.63 0.00 0.00 43.02 41.73 1v95 s PHE 83 CO 0.00 -0.01 0.06 0.41 -0.05 0.00 0.00 175.22 175.63 1v95 n GLY 84 N 2.54 -3.65 2.21 1.99 0.00 -1.26 -4.79 105.19 102.22 1v95 n GLY 84 Ca -0.15 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 1.95-11.24 -2.30 2.61 -1.04 -1.26 -4.72 114.28 98.28 1v95 n THR 85 Ca -0.10 2.72 -0.36 0.00 -2.04 0.00 0.00 64.05 64.28 1v95 n THR 85 Cb 0.15 -5.12 -0.04 0.00 -1.82 0.00 0.00 70.33 63.51 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 -0.48 3.03 0.13 -2.82 0.04 -1.26 -4.82 135.00 128.82 1v95 s PRO 86 Ca 0.00 -0.46 0.05 0.00 0.04 0.00 0.00 61.00 60.63 1v95 s PRO 86 Cb 0.00 -4.95 -0.04 0.00 0.04 0.00 0.00 34.50 29.55 1v95 s PRO 86 CO 0.00 -2.69 0.05 -0.65 0.04 0.00 0.00 177.00 173.75 1v95 s GLN 87 N 6.09 2.66 -0.22 4.56 -1.52 -1.26 -5.05 119.66 124.94 1v95 s GLN 87 Ca 0.56 -0.89 -0.03 0.00 -1.95 0.00 0.00 55.36 53.04 1v95 s GLN 87 Cb -0.05 -2.55 0.07 0.00 -0.22 0.00 0.00 33.01 30.26 1v95 s GLN 87 CO 0.01 0.51 0.08 -2.00 -0.25 0.00 0.00 175.29 173.63 1v95 s GLU 88 N -2.71 0.39 -0.35 2.91 2.12 -1.26 -2.32 118.70 117.47 1v95 s GLU 88 Ca 0.28 -0.40 -0.16 0.00 0.36 0.00 0.00 54.97 55.04 1v95 s GLU 88 Cb -0.11 -1.85 -0.01 0.00 0.26 0.00 0.00 34.13 32.43 1v95 s GLU 88 CO 0.20 -0.75 0.42 -1.01 -0.54 0.00 0.00 175.26 173.58 1v95 s HIS 89 N 1.96 3.19 0.02 5.30 3.76 0.04 -5.02 115.29 124.55 1v95 s HIS 89 Ca 0.03 -0.00 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1v95 s HIS 89 Cb -0.17 -2.78 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 1v95 s HIS 89 CO -0.15 -0.50 -0.01 1.03 -0.85 0.00 0.00 174.74 174.26 1v95 s ARG 90 N 2.15 2.69 -0.42 1.40 0.52 -1.26 -1.99 118.95 122.04 1v95 s ARG 90 Ca 0.14 -0.69 -0.16 0.00 -0.52 0.00 0.00 55.73 54.50 1v95 s ARG 90 Cb -0.16 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.72 1v95 s ARG 90 CO 0.12 0.60 0.55 0.09 0.02 0.00 0.00 175.30 176.69 1v95 n ASN 91 N 1.21 -7.80 -3.94 0.23 3.02 -1.26 -5.03 115.26 101.70 1v95 n ASN 91 Ca -0.14 0.56 -0.19 0.00 -0.03 0.00 0.00 54.58 54.79 1v95 n ASN 91 Cb 0.52 -5.13 -0.16 0.00 -0.61 0.00 0.00 39.78 34.41 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 -2.51 0.71 0.22 3.52 -1.94 -1.14 -5.04 119.30 113.11 1v95 s MET 92 Ca 0.24 -0.17 -0.30 0.00 -1.71 0.00 0.00 55.69 53.75 1v95 s MET 92 Cb -0.06 -0.70 -0.08 0.00 2.01 0.00 0.00 34.83 35.99 1v95 s MET 92 CO 0.77 0.03 1.10 -1.25 -0.01 0.00 0.00 175.02 175.66 1v95 s PRO 93 N 0.42 4.61 0.08 2.03 0.04 -1.26 -2.90 135.00 138.02 1v95 s PRO 93 Ca -0.05 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 1v95 s PRO 93 Cb -0.09 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1v95 s PRO 93 CO 0.00 0.12 1.22 1.04 0.04 0.00 0.00 177.00 179.42 1v95 n GLN 94 N 1.95 -0.23 -0.36 4.56 3.00 -1.26 0.16 117.38 125.20 1v95 n GLN 94 Ca 0.01 1.20 -0.05 0.00 -0.01 0.00 0.00 57.00 58.16 1v95 n GLN 94 Cb 0.46 -1.78 -0.02 0.00 0.00 0.00 0.00 30.24 28.90 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 -3.14 -0.31 0.07 -1.58 0.00 -1.26 0.18 120.51 114.48 1v95 n ALA 95 Ca 0.01 0.83 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 1v95 n ALA 95 Cb 0.13 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.08 -0.99 0.00 1.82 -0.80 -1.68 116.42 114.69 1v95 h ASP 96 Ca 0.24 -0.03 0.22 0.00 -0.39 0.00 0.00 57.03 57.06 1v95 h ASP 96 Cb 0.46 0.02 -0.09 0.00 0.68 0.00 0.00 39.33 40.39 1v95 h ASP 96 CO -0.86 -0.02 0.63 0.00 -1.61 0.00 0.00 179.24 177.38 1v95 h ALA 97 N 0.80 1.99 0.00 -0.78 0.00 0.78 1.31 119.26 123.37 1v95 h ALA 97 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1v95 h ALA 97 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1v95 h ALA 97 CO 0.02 -0.37 -0.29 0.52 0.00 0.00 0.00 179.25 179.12 1v95 h MET 98 N 0.54 0.00 0.12 0.00 2.86 0.28 -0.34 114.93 118.40 1v95 h MET 98 Ca 0.56 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.92 1v95 h MET 98 Cb 1.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1v95 h MET 98 CO -0.31 0.29 -1.44 -0.24 1.06 0.00 0.00 176.91 176.27 1v95 h VAL 99 N 0.00 1.01 0.00 -2.22 3.04 0.20 -0.92 116.25 117.37 1v95 h VAL 99 Ca -0.00 -2.40 -0.02 0.00 -1.01 0.00 0.00 66.70 63.27 1v95 h VAL 99 Cb 0.68 2.70 -0.00 0.00 -2.01 0.00 0.00 31.29 32.66 1v95 h VAL 99 CO 0.04 0.71 -0.11 0.25 -1.01 0.00 0.00 177.57 177.45 1v95 h LEU 100 N -0.29 0.00 0.04 3.16 6.46 0.98 1.30 115.31 126.95 1v95 h LEU 100 Ca -0.31 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.27 1v95 h LEU 100 Cb 1.77 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.69 1v95 h LEU 100 CO 0.06 0.11 -0.95 1.62 -0.62 0.00 0.00 178.44 178.66 1v95 h VAL 101 N 0.00 1.21 -0.37 1.05 3.04 -1.15 -2.56 116.25 117.47 1v95 h VAL 101 Ca -0.00 -2.31 -0.04 0.00 -1.01 0.00 0.00 66.70 63.34 1v95 h VAL 101 Cb 0.22 2.73 -0.02 0.00 -2.01 0.00 0.00 31.29 32.21 1v95 h VAL 101 CO 0.01 0.53 0.06 0.00 -1.01 0.00 0.00 177.57 177.17 1v95 h ALA 102 N -0.20 1.42 0.06 3.17 0.00 -0.83 0.35 119.26 123.23 1v95 h ALA 102 Ca -0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1v95 h ALA 102 Cb 1.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1v95 h ALA 102 CO -0.06 0.42 -0.03 0.00 0.00 0.00 0.00 179.25 179.58 1v95 h ARG 103 N 0.54 -0.08 -0.77 0.00 2.47 0.15 -2.38 114.38 114.31 1v95 h ARG 103 Ca 0.12 0.01 0.15 0.00 -1.26 0.00 0.00 59.98 59.00 1v95 h ARG 103 Cb 0.25 0.02 -0.15 0.00 -1.65 0.00 0.00 29.97 28.44 1v95 h ARG 103 CO 0.00 -0.05 -0.24 -0.91 0.56 0.00 0.00 179.97 179.33 1v95 h ASN 104 N -0.14 -0.86 -0.40 7.04 2.35 -1.48 0.13 115.58 122.21 1v95 h ASN 104 Ca -0.01 0.24 0.08 0.00 -0.55 0.00 0.00 56.30 56.06 1v95 h ASN 104 Cb 0.06 0.53 -0.09 0.00 0.05 0.00 0.00 38.32 38.87 1v95 h ASN 104 CO 0.01 -0.27 -0.37 0.22 -1.65 0.00 0.00 177.43 175.37 1v95 h TYR 105 N -0.03 -1.04 -0.56 1.19 3.20 -1.01 -0.77 116.97 117.94 1v95 h TYR 105 Ca 0.35 0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.34 1v95 h TYR 105 Cb 0.58 0.52 -0.09 0.00 1.54 0.00 0.00 36.73 39.27 1v95 h TYR 105 CO -0.65 -0.41 -0.55 0.93 -1.64 0.00 0.00 178.16 175.85 1v95 h GLU 106 N -0.28 -0.26 -0.23 1.82 4.39 -0.21 0.30 114.58 120.11 1v95 h GLU 106 Ca 0.16 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.93 1v95 h GLU 106 Cb 0.56 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.19 1v95 h GLU 106 CO -0.56 -0.17 -0.46 -0.09 -1.16 0.00 0.00 179.01 176.57 1v95 h ARG 107 N -0.27 -0.44 -0.91 2.33 1.12 -0.95 0.36 114.38 115.62 1v95 h ARG 107 Ca 0.09 0.03 0.22 0.00 -1.11 0.00 0.00 59.98 59.22 1v95 h ARG 107 Cb 0.52 0.10 -0.12 0.00 -0.01 0.00 0.00 29.97 30.46 1v95 h ARG 107 CO -0.67 -0.30 0.44 -0.92 -3.11 0.00 0.00 179.97 175.41 1v95 h TYR 108 N -0.46 0.73 -0.15 2.20 5.03 0.12 0.16 116.97 124.60 1v95 h TYR 108 Ca 0.08 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 1v95 h TYR 108 Cb 0.63 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 1v95 h TYR 108 CO -0.57 -0.01 0.03 -0.22 -1.32 0.00 0.00 178.16 176.07 1v95 h LYS 109 N 0.45 0.25 -1.22 1.82 3.64 0.18 0.50 116.57 122.19 1v95 h LYS 109 Ca 0.57 -0.07 0.35 0.00 -1.27 0.00 0.00 60.65 60.23 1v95 h LYS 109 Cb 1.07 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.78 1v95 h LYS 109 CO -0.51 0.43 0.84 -0.91 -2.27 0.00 0.00 179.45 177.03 1v95 h ASN 110 N 0.04 0.17 0.49 4.20 2.35 0.25 1.15 115.58 124.24 1v95 h ASN 110 Ca 0.05 0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.65 1v95 h ASN 110 Cb 0.29 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 1v95 h ASN 110 CO 0.00 0.00 -1.66 -0.62 -1.65 0.00 0.00 177.43 173.50 1v95 n GLU 111 N -4.37 0.64 0.37 0.81 1.02 -0.78 -4.01 120.64 114.32 1v95 n GLU 111 Ca 0.29 0.14 -0.15 0.00 -0.02 0.00 0.00 57.16 57.42 1v95 n GLU 111 Cb 1.22 -1.73 -0.07 0.00 -0.02 0.00 0.00 31.44 30.84 1v95 n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1v95 h ARG 113 N -0.96 -0.01 -5.34 0.00 9.65 -1.21 -3.34 114.38 113.17 1v95 h ARG 113 Ca -0.10 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.51 1v95 h ARG 113 Cb 0.74 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.30 1v95 h ARG 113 CO 0.15 -0.01 1.08 -1.91 2.80 0.00 0.00 179.97 182.08 1v95 n GLU 114 N -5.54 0.57 -3.93 0.20 0.00 -1.09 -4.72 120.64 106.12 1v95 n GLU 114 Ca 0.12 -0.34 0.02 0.00 0.00 0.00 0.00 57.16 56.96 1v95 n GLU 114 Cb 0.43 -2.94 0.01 0.00 0.00 0.00 0.00 31.44 28.93 1v95 n GLU 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1v95 s LYS 115 N 8.45 0.53 -0.44 5.31 1.02 -1.26 -4.96 119.74 128.40 1v95 s LYS 115 Ca 1.06 -0.34 -0.43 0.00 0.02 0.00 0.00 55.97 56.28 1v95 s LYS 115 Cb -0.39 0.15 -0.18 0.00 -0.52 0.00 0.00 37.83 36.89 1v95 s LYS 115 CO 0.27 -0.25 1.86 0.39 -0.92 0.00 0.00 175.35 176.70 1v95 n GLU 116 N -0.82 0.38 -0.99 1.68 -0.58 -1.26 -4.56 120.64 114.48 1v95 n GLU 116 Ca 0.01 0.13 -0.45 0.00 -0.42 0.00 0.00 57.16 56.43 1v95 n GLU 116 Cb 0.59 -1.74 -0.10 0.00 -0.57 0.00 0.00 31.44 29.62 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 5.85 0.00 -1.01 3.49 1.74 -1.26 -4.77 116.66 120.70 1v95 n ARG 117 Ca 0.38 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 57.11 1v95 n ARG 117 Cb 0.02 -1.16 0.07 0.00 -1.02 0.00 0.00 32.46 30.37 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 5.88 -0.03 -1.34 5.56 2.13 -1.26 -4.90 120.64 126.67 1v95 n GLU 118 Ca 0.43 0.02 -0.15 0.00 0.66 0.00 0.00 57.16 58.12 1v95 n GLU 118 Cb -0.02 -1.48 0.11 0.00 0.27 0.00 0.00 31.44 30.32 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 0.23 2.63 -4.29 5.31 2.13 -1.26 -5.00 120.64 120.38 1v95 n GLU 119 Ca 0.05 -3.62 -0.34 0.00 0.66 0.00 0.00 57.16 53.91 1v95 n GLU 119 Cb 0.53 -2.04 -0.09 0.00 0.27 0.00 0.00 31.44 30.12 1v95 n GLU 119 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1v95 s ILE 120 N -4.00 4.31 0.26 6.31 1.01 -1.26 -5.01 121.20 122.82 1v95 s ILE 120 Ca 0.49 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1v95 s ILE 120 Cb 0.42 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1v95 s ILE 120 CO 0.00 0.46 0.00 0.00 0.00 0.00 0.00 174.94 175.41 1v95 n ALA 121 N 1.66 -3.17 -3.74 9.38 0.00 -1.26 -4.78 120.51 118.60 1v95 n ALA 121 Ca -0.16 0.36 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1v95 n ALA 121 Cb 0.53 -1.06 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 1v95 n ALA 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v95 s ARG 122 N -2.31 0.73 -0.11 0.00 3.52 -1.26 -4.98 118.95 114.54 1v95 s ARG 122 Ca 0.00 -0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 54.66 1v95 s ARG 122 Cb 0.00 -2.02 0.03 0.00 -1.56 0.00 0.00 34.95 31.40 1v95 s ARG 122 CO 0.00 -0.87 0.16 0.94 -0.81 0.00 0.00 175.30 174.72 1v95 n GLN 123 N 4.91 -3.73 -2.55 5.12 -0.06 -1.26 -5.04 117.38 114.78 1v95 n GLN 123 Ca -0.05 2.89 -0.23 0.00 -2.00 0.00 0.00 57.00 57.61 1v95 n GLN 123 Cb 0.44 -4.12 0.07 0.00 -4.06 0.00 0.00 30.24 22.57 1v95 n GLN 123 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1v95 s ALA 124 N -0.51 3.69 0.23 1.69 0.00 -1.26 -5.10 121.76 120.50 1v95 s ALA 124 Ca -0.18 -1.45 0.04 0.00 0.00 0.00 0.00 51.96 50.37 1v95 s ALA 124 Cb 0.01 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 1v95 s ALA 124 CO 0.49 -1.16 0.35 0.45 0.00 0.00 0.00 175.76 175.90 1v95 s SER 125 N -4.58 6.32 0.00 0.00 0.15 -1.26 -5.04 113.70 109.29 1v95 s SER 125 Ca 0.62 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1v95 s SER 125 Cb -0.08 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1v95 s SER 125 CO 0.42 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1v95 n GLY 126 N -1.29 -1.75 0.13 9.45 0.00 -1.26 -5.08 105.19 105.40 1v95 n GLY 126 Ca -0.09 0.76 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 1v95 n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v95 h PRO 127 N 0.00 -0.20 -6.62 1.61 0.13 -2.08 -3.46 132.00 121.39 1v95 h PRO 127 Ca 0.00 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.46 1v95 h PRO 127 Cb 0.00 0.05 -0.21 0.00 0.13 0.00 0.00 31.00 30.96 1v95 h PRO 127 CO 0.00 0.16 -0.81 -1.12 -0.23 0.00 0.00 178.00 176.00 1v95 s SER 128 N -5.47 3.81 -0.29 1.44 0.01 -1.26 -5.11 113.70 106.82 1v95 s SER 128 Ca -0.10 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1v95 s SER 128 Cb 0.00 -0.59 0.08 0.00 0.21 0.00 0.00 66.02 65.73 1v95 s SER 128 CO 0.36 0.24 0.01 -0.44 0.41 0.00 0.00 173.24 173.82 1v95 s SER 129 N -1.61 4.29 0.00 2.44 0.01 -1.26 -5.24 113.70 112.33 1v95 s SER 129 Ca 0.15 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.74 1v95 s SER 129 Cb -0.10 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.82 1v95 s SER 129 CO 0.06 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.00