#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 -0.44 0.30 1.61 0.15 -1.26 -5.13 113.70 108.93 1v95 s SER 2 Ca 0.00 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1v95 s SER 2 Cb 0.00 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1v95 s SER 2 CO 0.00 -0.08 0.00 -0.24 1.20 0.00 0.00 173.24 174.12 1v95 n SER 3 N 5.34 -6.90 0.00 5.45 2.88 -1.26 -4.32 113.62 114.81 1v95 n SER 3 Ca -0.01 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1v95 n SER 3 Cb 0.55 -3.72 0.00 0.00 -0.75 0.00 0.00 64.21 60.29 1v95 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v95 n GLY 4 N -3.58 0.68 3.46 0.46 0.00 -1.26 -4.55 105.19 100.40 1v95 n GLY 4 Ca -0.00 -2.05 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 1v95 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v95 n SER 5 N -0.06 -0.64 -4.42 1.61 2.88 -1.26 -4.56 113.62 107.16 1v95 n SER 5 Ca 0.00 1.01 -0.48 0.00 -1.33 0.00 0.00 58.87 58.08 1v95 n SER 5 Cb 0.00 -1.10 -0.11 0.00 -0.75 0.00 0.00 64.21 62.25 1v95 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v95 n SER 6 N 1.53 0.97 0.00 -3.46 7.64 -1.26 -4.40 113.62 114.63 1v95 n SER 6 Ca 0.13 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1v95 n SER 6 Cb 0.34 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1v95 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v95 n GLY 7 N 6.76 -2.14 3.80 0.23 0.00 -1.26 -4.94 105.19 107.63 1v95 n GLY 7 Ca 0.55 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.62 3.76 0.27 1.61 0.04 -1.26 -5.01 135.00 131.79 1v95 s PRO 8 Ca 0.00 1.34 0.12 0.00 0.04 0.00 0.00 61.00 62.50 1v95 s PRO 8 Cb 0.00 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1v95 s PRO 8 CO 0.00 -0.46 -0.19 0.08 0.04 0.00 0.00 177.00 176.46 1v95 s VAL 9 N -2.04 2.53 -0.16 -0.36 1.01 -1.26 -4.99 120.40 115.13 1v95 s VAL 9 Ca 0.67 -2.34 -0.12 0.00 0.00 0.00 0.00 61.98 60.19 1v95 s VAL 9 Cb -0.16 -2.32 -0.23 0.00 0.00 0.00 0.00 36.38 33.67 1v95 s VAL 9 CO 0.22 -0.37 0.26 -0.67 0.00 0.00 0.00 175.10 174.53 1v95 n ASP 10 N -0.54 2.02 -3.58 3.32 -0.08 0.18 -3.77 116.55 114.09 1v95 n ASP 10 Ca -0.06 0.27 -0.22 0.00 -1.51 0.00 0.00 54.79 53.27 1v95 n ASP 10 Cb 0.59 -0.88 -0.16 0.00 2.34 0.00 0.00 41.12 43.02 1v95 n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1v95 s SER 12 N 2.22 6.79 -0.19 0.00 1.04 -0.01 -2.78 113.70 120.76 1v95 s SER 12 Ca 0.04 0.94 -0.18 0.00 0.48 0.00 0.00 55.95 57.23 1v95 s SER 12 Cb -0.15 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 1v95 s SER 12 CO -0.09 0.01 0.49 -0.69 0.98 0.00 0.00 173.24 173.94 1v95 s VAL 13 N 0.45 5.13 -0.32 5.02 1.01 0.29 0.12 120.40 132.10 1v95 s VAL 13 Ca 0.29 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 63.11 1v95 s VAL 13 Cb -0.16 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1v95 s VAL 13 CO 0.13 0.21 0.08 -0.63 0.00 0.00 0.00 175.10 174.89 1v95 s ILE 14 N 1.47 3.67 -0.32 2.22 -1.09 0.27 -0.48 121.20 126.94 1v95 s ILE 14 Ca 0.23 -1.08 -0.01 0.00 -2.23 0.00 0.00 60.65 57.56 1v95 s ILE 14 Cb -0.15 -3.04 0.07 0.00 -1.58 0.00 0.00 42.46 37.76 1v95 s ILE 14 CO 0.09 -0.11 0.04 0.54 -1.23 0.00 0.00 174.94 174.27 1v95 s VAL 15 N 1.40 2.87 -0.08 2.92 0.11 -0.86 0.19 120.40 126.95 1v95 s VAL 15 Ca -0.01 -1.67 0.09 0.00 -2.93 0.00 0.00 61.98 57.45 1v95 s VAL 15 Cb -0.19 -2.78 -0.24 0.00 -1.53 0.00 0.00 36.38 31.64 1v95 s VAL 15 CO 0.02 -0.28 0.50 1.33 -3.33 0.00 0.00 175.10 173.34 1v95 n VAL 16 N 4.55 1.62 -0.76 2.04 0.24 -1.17 -3.07 118.33 121.78 1v95 n VAL 16 Ca -0.09 -0.77 -0.33 0.00 -2.04 0.00 0.00 64.34 61.12 1v95 n VAL 16 Cb 0.43 -1.14 0.14 0.00 -1.47 0.00 0.00 33.84 31.79 1v95 n VAL 16 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1v95 n ASN 17 N -3.11 -2.43 0.00 -1.34 2.85 -1.26 -4.26 115.26 105.71 1v95 n ASN 17 Ca -0.23 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1v95 n ASN 17 Cb 1.06 -1.06 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1v95 n ASN 17 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1v95 n LYS 18 N -1.54 0.00 -3.12 1.20 3.00 -1.26 -4.59 118.16 111.85 1v95 n LYS 18 Ca 0.03 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.90 1v95 n LYS 18 Cb 0.58 -0.70 -0.04 0.00 0.00 0.00 0.00 35.03 34.87 1v95 n LYS 18 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1v95 s GLN 19 N -0.45 3.04 0.00 1.64 -0.21 -1.26 -4.70 119.66 117.73 1v95 s GLN 19 Ca 0.00 -1.33 0.03 0.00 0.02 0.00 0.00 55.36 54.08 1v95 s GLN 19 Cb 0.00 -4.27 0.06 0.00 1.00 0.00 0.00 33.01 29.80 1v95 s GLN 19 CO 0.00 -1.54 0.82 0.25 -2.12 0.00 0.00 175.29 172.70 1v95 n THR 20 N 5.54 0.00 0.15 -0.19 -2.24 -1.26 -4.96 114.28 111.32 1v95 n THR 20 Ca -0.10 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1v95 n THR 20 Cb 0.42 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.13 -0.43 -1.06 -0.78 3.64 -1.94 0.62 116.57 116.76 1v95 h LYS 21 Ca -0.16 0.03 0.34 0.00 -1.27 0.00 0.00 60.65 59.60 1v95 h LYS 21 Cb 1.30 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 33.08 1v95 h LYS 21 CO -0.05 -0.28 0.62 -0.44 -2.27 0.00 0.00 179.45 177.03 1v95 h ASP 22 N -0.83 0.45 0.12 4.20 5.19 -1.97 1.58 116.42 125.17 1v95 h ASP 22 Ca -0.05 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1v95 h ASP 22 Cb 0.34 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1v95 h ASP 22 CO 0.07 -0.14 -0.06 0.22 -3.12 0.00 0.00 179.24 176.21 1v95 h TYR 23 N 0.27 -0.15 -0.68 4.55 3.20 -1.92 -3.19 116.97 119.04 1v95 h TYR 23 Ca 0.74 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.75 1v95 h TYR 23 Cb 1.85 0.05 -0.12 0.00 1.54 0.00 0.00 36.73 40.04 1v95 h TYR 23 CO -0.01 -0.09 -0.08 0.00 -1.64 0.00 0.00 178.16 176.33 1v95 h ALA 24 N -1.56 0.57 -0.12 1.82 0.00 0.11 1.58 119.26 121.66 1v95 h ALA 24 Ca -0.02 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1v95 h ALA 24 Cb 0.13 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1v95 h ALA 24 CO 0.03 -0.42 0.48 0.93 0.00 0.00 0.00 179.25 180.27 1v95 h GLU 25 N 0.05 0.00 0.00 0.00 5.08 0.21 0.46 114.58 120.39 1v95 h GLU 25 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1v95 h GLU 25 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1v95 h GLU 25 CO -0.64 0.00 -0.03 1.03 -1.00 0.00 0.00 179.01 178.36 1v95 h SER 26 N 0.00 0.00 -0.72 1.42 0.87 0.23 -3.00 113.55 112.34 1v95 h SER 26 Ca 0.06 0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.83 1v95 h SER 26 Cb 1.02 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 1v95 h SER 26 CO -0.00 0.10 0.68 1.62 -0.53 0.00 0.00 176.83 178.70 1v95 h VAL 27 N -0.18 0.33 0.00 2.23 3.04 -0.81 1.92 116.25 122.79 1v95 h VAL 27 Ca 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.58 1v95 h VAL 27 Cb 0.03 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 29.78 1v95 h VAL 27 CO 0.00 0.00 -0.52 1.23 -1.01 0.00 0.00 177.57 177.27 1v95 h GLY 28 N 0.00 0.00 0.72 3.17 0.00 -0.22 -3.24 103.07 103.50 1v95 h GLY 28 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.34 1v95 h GLY 28 CO -0.00 0.00 -1.91 -0.96 0.00 0.00 0.00 176.54 173.67 1v95 n ARG 29 N -3.44 0.70 -0.34 4.80 1.85 0.60 -3.83 116.66 117.00 1v95 n ARG 29 Ca 0.00 0.26 0.18 0.00 -1.00 0.00 0.00 57.85 57.30 1v95 n ARG 29 Cb 0.64 -1.73 0.41 0.00 -1.05 0.00 0.00 32.46 30.73 1v95 n ARG 29 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1v95 h LYS 30 N 0.03 0.54 0.00 2.89 6.56 -0.07 1.56 116.57 128.09 1v95 h LYS 30 Ca -0.37 -0.03 -0.12 0.00 -1.06 0.00 0.00 60.65 59.06 1v95 h LYS 30 Cb 2.03 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 33.55 1v95 h LYS 30 CO 0.07 0.36 -0.59 0.28 -2.06 0.00 0.00 179.45 177.51 1v95 h VAL 31 N 0.56 1.38 -0.05 0.50 2.07 -1.70 -2.86 116.25 116.16 1v95 h VAL 31 Ca 0.63 -2.05 -0.14 0.00 0.82 0.00 0.00 66.70 65.96 1v95 h VAL 31 Cb 1.26 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1v95 h VAL 31 CO -0.43 0.58 -0.60 0.03 0.02 0.00 0.00 177.57 177.18 1v95 h ARG 32 N 0.00 0.15 0.00 1.57 3.08 0.20 -2.49 114.38 116.89 1v95 h ARG 32 Ca -0.01 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1v95 h ARG 32 Cb 1.07 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1v95 h ARG 32 CO 0.08 0.70 0.01 0.22 -1.07 0.00 0.00 179.97 179.91 1v95 h ASP 33 N 0.11 0.00 0.59 7.04 1.82 -0.20 0.82 116.42 126.60 1v95 h ASP 33 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1v95 h ASP 33 Cb 1.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.09 1v95 h ASP 33 CO 0.09 0.00 -0.57 0.18 -1.61 0.00 0.00 179.24 177.33 1v95 n LEU 34 N -2.98 0.55 0.00 2.28 4.77 -0.96 -4.92 117.00 115.73 1v95 n LEU 34 Ca -0.03 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1v95 n LEU 34 Cb 0.07 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1v95 n LEU 34 CO 0.19 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1v95 n GLY 35 N 1.45 1.33 3.59 -0.72 0.00 0.28 -5.09 105.19 106.03 1v95 n GLY 35 Ca 0.05 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.05 3.13 0.08 1.61 1.00 -1.07 -5.01 119.30 117.99 1v95 s MET 36 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 55.69 54.89 1v95 s MET 36 Cb 0.00 -2.77 -0.08 0.00 0.00 0.00 0.00 34.83 31.98 1v95 s MET 36 CO 0.00 0.54 1.54 0.08 0.00 0.00 0.00 175.02 177.18 1v95 s VAL 37 N -0.45 3.14 0.04 -6.03 1.01 -1.26 -3.55 120.40 113.30 1v95 s VAL 37 Ca 0.07 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.75 1v95 s VAL 37 Cb -0.12 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1v95 s VAL 37 CO 0.02 0.02 -0.07 -0.69 0.00 0.00 0.00 175.10 174.38 1v95 s VAL 38 N 2.05 0.47 0.22 2.92 1.01 -1.26 0.48 120.40 126.28 1v95 s VAL 38 Ca 0.69 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1v95 s VAL 38 Cb -0.38 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1v95 s VAL 38 CO 0.30 -0.36 0.07 -0.62 0.00 0.00 0.00 175.10 174.50 1v95 s ASP 39 N -1.44 1.06 -0.12 3.32 2.15 -1.12 -4.99 116.67 115.52 1v95 s ASP 39 Ca -0.10 -1.31 0.03 0.00 0.43 0.00 0.00 52.55 51.59 1v95 s ASP 39 Cb -0.09 0.18 0.01 0.00 -0.30 0.00 0.00 42.92 42.71 1v95 s ASP 39 CO 0.00 -0.69 -0.21 -0.76 -0.17 0.00 0.00 175.17 173.34 1v95 s LEU 40 N -3.24 2.03 -0.26 -1.34 1.02 -1.26 -0.55 118.68 115.07 1v95 s LEU 40 Ca 0.33 -0.56 -0.02 0.00 0.02 0.00 0.00 54.13 53.90 1v95 s LEU 40 Cb 0.07 -1.36 0.03 0.00 0.02 0.00 0.00 46.19 44.95 1v95 s LEU 40 CO 0.10 0.08 -0.04 -0.63 0.02 0.00 0.00 176.35 175.89 1v95 s ILE 41 N 0.74 3.00 -0.25 -0.59 1.01 0.37 -4.95 121.20 120.52 1v95 s ILE 41 Ca -0.10 -1.07 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 1v95 s ILE 41 Cb -0.16 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1v95 s ILE 41 CO 0.00 0.12 0.12 -0.36 0.00 0.00 0.00 174.94 174.83 1v95 s PHE 42 N 1.32 3.17 0.00 3.97 0.08 -1.26 -2.02 117.98 123.24 1v95 s PHE 42 Ca -0.01 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1v95 s PHE 42 Cb -0.17 -2.28 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 1v95 s PHE 42 CO -0.03 -0.20 0.00 1.28 -0.10 0.00 0.00 175.22 176.17 1v95 n LEU 43 N 4.79 0.37 -2.81 -0.37 4.77 -1.18 -5.04 117.00 117.54 1v95 n LEU 43 Ca -0.15 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 1v95 n LEU 43 Cb 0.52 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1v95 n LEU 43 CO 0.32 -0.38 -0.51 -3.20 -1.33 0.00 0.00 177.39 172.29 1v95 n ASN 44 N -1.94 -6.90 -3.94 -1.43 2.85 -1.26 -3.88 115.26 98.77 1v95 n ASN 44 Ca 0.00 1.23 -0.36 0.00 -0.11 0.00 0.00 54.58 55.34 1v95 n ASN 44 Cb 0.00 -4.53 0.01 0.00 1.24 0.00 0.00 39.78 36.50 1v95 n ASN 44 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1v95 n THR 45 N 0.99 -2.64 0.00 -0.44 -2.24 -1.26 -4.88 114.28 103.81 1v95 n THR 45 Ca -0.05 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1v95 n THR 45 Cb 0.17 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.11 1v95 n THR 45 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1v95 n GLU 46 N -3.92 0.00 0.00 -0.78 2.13 -1.25 -5.16 120.64 111.66 1v95 n GLU 46 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1v95 n GLU 46 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 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 -1.67 0.00 -4.21 6.31 0.31 -1.26 -5.17 118.33 112.65 1v95 n VAL 47 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1v95 n VAL 47 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 1v95 n VAL 47 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1v95 s SER 48 N 1.03 4.52 0.18 4.52 0.15 -1.26 -5.01 113.70 117.82 1v95 s SER 48 Ca 0.00 -0.35 -0.26 0.00 0.70 0.00 0.00 55.95 56.03 1v95 s SER 48 Cb 0.00 -0.90 0.04 0.00 -1.71 0.00 0.00 66.02 63.45 1v95 s SER 48 CO 0.00 0.17 1.55 0.25 1.20 0.00 0.00 173.24 176.41 1v95 h LEU 49 N 3.53 -1.87 -0.96 3.45 6.46 -2.02 0.38 115.31 124.28 1v95 h LEU 49 Ca -0.49 0.32 0.14 0.00 -0.12 0.00 0.00 57.88 57.73 1v95 h LEU 49 Cb 1.17 0.87 -0.15 0.00 -0.73 0.00 0.00 40.66 41.82 1v95 h LEU 49 CO 0.54 -0.26 -0.41 -1.54 -0.62 0.00 0.00 178.44 176.14 1v95 n SER 50 N -5.34 -0.70 -0.32 1.25 3.41 -1.26 0.18 113.62 110.85 1v95 n SER 50 Ca 0.05 1.69 0.31 0.00 -0.26 0.00 0.00 58.87 60.65 1v95 n SER 50 Cb 0.32 -0.35 0.57 0.00 -0.26 0.00 0.00 64.21 64.48 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 -5.37 -0.06 0.07 4.33 -0.06 0.13 0.18 117.38 116.61 1v95 n GLN 51 Ca 0.08 1.31 -0.21 0.00 -2.00 0.00 0.00 57.00 56.18 1v95 n GLN 51 Cb 0.36 -2.37 -0.15 0.00 -4.06 0.00 0.00 30.24 24.02 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 1.89 -0.10 -0.42 1.69 0.00 0.20 -3.11 119.26 119.41 1v95 h ALA 52 Ca 0.82 -0.76 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1v95 h ALA 52 Cb 2.19 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 1v95 h ALA 52 CO -0.72 0.48 0.29 -0.07 0.00 0.00 0.00 179.25 179.23 1v95 h LEU 53 N -0.23 0.29 -0.59 0.00 3.38 0.42 0.49 115.31 119.06 1v95 h LEU 53 Ca -0.18 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 1v95 h LEU 53 Cb 1.79 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1v95 h LEU 53 CO 0.18 0.19 -0.16 -0.08 0.09 0.00 0.00 178.44 178.66 1v95 h GLU 54 N 0.33 0.95 0.00 1.13 4.81 0.19 -2.36 114.58 119.62 1v95 h GLU 54 Ca 0.19 -0.37 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 1v95 h GLU 54 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1v95 h GLU 54 CO -0.04 1.03 -0.36 -0.44 -0.73 0.00 0.00 179.01 178.47 1v95 h ASP 55 N 0.84 0.00 0.00 1.04 5.19 -0.95 -2.67 116.42 119.87 1v95 h ASP 55 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1v95 h ASP 55 Cb 0.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1v95 h ASP 55 CO 0.05 0.36 0.00 0.52 -3.12 0.00 0.00 179.24 177.06 1v95 n VAL 56 N -3.55 0.00 -0.11 -1.35 0.31 -0.03 0.10 118.33 113.70 1v95 n VAL 56 Ca -0.00 1.18 -0.08 0.00 -0.01 0.00 0.00 64.34 65.43 1v95 n VAL 56 Cb 0.50 -2.14 -0.06 0.00 -0.91 0.00 0.00 33.84 31.22 1v95 n VAL 56 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1v95 h SER 57 N 0.00 -1.16 -0.95 4.52 0.87 -1.55 0.55 113.55 115.83 1v95 h SER 57 Ca 0.00 0.16 0.17 0.00 -1.23 0.00 0.00 61.79 60.88 1v95 h SER 57 Cb 0.00 0.48 -0.08 0.00 -0.44 0.00 0.00 62.40 62.36 1v95 h SER 57 CO 0.00 -0.23 0.60 0.08 -0.53 0.00 0.00 176.83 176.75 1v95 h ARG 58 N -0.21 0.68 0.00 2.24 0.11 -1.59 0.62 114.38 116.24 1v95 h ARG 58 Ca 0.05 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 1v95 h ARG 58 Cb 0.35 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 31.27 1v95 h ARG 58 CO -0.39 0.45 -0.09 0.78 0.10 0.00 0.00 179.97 180.82 1v95 h GLY 59 N 0.70 0.00 0.00 0.08 0.00 0.42 -3.39 103.07 100.89 1v95 h GLY 59 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1v95 h GLY 59 CO -0.26 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.89 1v95 n GLY 60 N -0.47 1.82 3.30 4.60 0.00 0.22 -4.62 105.19 110.04 1v95 n GLY 60 Ca -0.01 -0.38 -0.61 0.00 0.00 0.00 0.00 46.02 45.02 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 0.10 0.86 0.02 1.61 7.64 -0.72 -4.80 113.62 118.33 1v95 n SER 61 Ca 0.00 0.80 -0.18 0.00 1.01 0.00 0.00 58.87 60.50 1v95 n SER 61 Cb 0.00 -0.87 -0.08 0.00 -1.01 0.00 0.00 64.21 62.25 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 7.64 0.70 -6.51 1.43 0.13 -1.68 -3.33 132.00 130.38 1v95 h PRO 62 Ca -0.19 -0.68 -0.67 0.00 -0.87 0.00 0.00 66.00 63.59 1v95 h PRO 62 Cb 1.37 0.18 -0.18 0.00 0.13 0.00 0.00 31.00 32.49 1v95 h PRO 62 CO 1.03 1.27 -0.76 -0.06 -0.23 0.00 0.00 178.00 179.25 1v95 s PHE 63 N -3.47 2.70 -0.04 1.56 0.08 -0.82 0.16 117.98 118.15 1v95 s PHE 63 Ca -0.09 -0.17 -0.00 0.00 0.12 0.00 0.00 56.93 56.78 1v95 s PHE 63 Cb 0.08 -1.48 0.03 0.00 -0.57 0.00 0.00 43.02 41.08 1v95 s PHE 63 CO 0.91 0.35 0.00 0.00 -0.10 0.00 0.00 175.22 176.39 1v95 s ALA 64 N -1.07 0.45 -0.16 5.36 0.00 -0.77 -0.83 121.76 124.75 1v95 s ALA 64 Ca 0.18 0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.05 1v95 s ALA 64 Cb -0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1v95 s ALA 64 CO 0.09 -0.23 0.33 0.42 0.00 0.00 0.00 175.76 176.37 1v95 s ILE 65 N 1.42 5.28 -0.23 0.00 1.01 0.32 -1.66 121.20 127.34 1v95 s ILE 65 Ca -0.04 0.63 -0.15 0.00 0.00 0.00 0.00 60.65 61.09 1v95 s ILE 65 Cb -0.13 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1v95 s ILE 65 CO -0.03 0.37 0.37 -0.69 0.00 0.00 0.00 174.94 174.97 1v95 s VAL 66 N 0.54 5.20 0.22 2.92 1.01 -0.42 0.95 120.40 130.81 1v95 s VAL 66 Ca 0.18 0.61 0.10 0.00 0.00 0.00 0.00 61.98 62.88 1v95 s VAL 66 Cb -0.13 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1v95 s VAL 66 CO 0.05 0.22 -0.19 -0.63 0.00 0.00 0.00 175.10 174.55 1v95 s ILE 67 N 1.59 2.14 0.00 2.22 -1.09 0.50 -2.87 121.20 123.69 1v95 s ILE 67 Ca 0.17 -2.16 0.00 0.00 -2.23 0.00 0.00 60.65 56.43 1v95 s ILE 67 Cb -0.15 -2.09 0.00 0.00 -1.58 0.00 0.00 42.46 38.64 1v95 s ILE 67 CO 0.08 -0.35 0.00 1.07 -1.23 0.00 0.00 174.94 174.51 1v95 n THR 68 N -0.14 0.00 0.09 2.92 5.66 -1.26 -3.06 114.28 118.49 1v95 n THR 68 Ca -0.09 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.86 1v95 n THR 68 Cb 0.58 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.34 1v95 n THR 68 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1v95 h GLN 69 N 0.00 -0.27 0.02 1.09 4.15 -1.95 -3.06 115.11 115.09 1v95 h GLN 69 Ca 0.00 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.47 1v95 h GLN 69 Cb 0.00 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 1v95 h GLN 69 CO 0.00 -0.18 -0.27 0.37 -1.93 0.00 0.00 178.83 176.81 1v95 h GLN 70 N -0.73 -0.41 -1.46 1.69 5.75 -1.97 0.90 115.11 118.87 1v95 h GLN 70 Ca -0.03 0.03 0.44 0.00 -0.15 0.00 0.00 58.65 58.93 1v95 h GLN 70 Cb 0.22 0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.78 1v95 h GLN 70 CO 0.05 -0.27 1.01 0.45 -2.65 0.00 0.00 178.83 177.42 1v95 h HIS 71 N -0.43 0.22 -0.04 3.99 3.86 -1.73 1.31 115.15 122.33 1v95 h HIS 71 Ca 0.06 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.13 1v95 h HIS 71 Cb 0.50 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.92 1v95 h HIS 71 CO -0.30 -0.05 -0.53 0.37 0.86 0.00 0.00 177.93 178.28 1v95 h GLN 72 N 0.06 0.44 -0.26 2.45 4.15 -0.75 1.48 115.11 122.69 1v95 h GLN 72 Ca 0.76 -0.41 -0.00 0.00 0.77 0.00 0.00 58.65 59.77 1v95 h GLN 72 Cb 2.76 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 30.54 1v95 h GLN 72 CO -0.16 1.06 0.15 0.82 -1.93 0.00 0.00 178.83 178.77 1v95 h ILE 73 N -0.04 1.11 0.00 2.39 2.04 0.24 -1.84 117.51 121.42 1v95 h ILE 73 Ca -0.05 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1v95 h ILE 73 Cb 1.21 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1v95 h ILE 73 CO 0.11 0.10 -0.28 1.41 0.00 0.00 0.00 178.15 179.50 1v95 n HIS 74 N -4.86 0.01 -2.50 1.37 8.25 0.10 -4.91 115.22 112.69 1v95 n HIS 74 Ca -0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.25 1v95 n HIS 74 Cb 0.06 -0.37 -0.00 0.00 1.12 0.00 0.00 29.99 30.80 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 -1.51 -2.17 -5.01 -0.41 1.74 0.45 -4.97 116.66 104.78 1v95 n ARG 75 Ca 0.06 0.91 -0.28 0.00 -0.77 0.00 0.00 57.85 57.77 1v95 n ARG 75 Cb 0.34 -5.59 -0.16 0.00 -1.02 0.00 0.00 32.46 26.03 1v95 n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1v95 s SER 76 N -2.13 2.47 0.46 0.55 1.04 0.21 -4.27 113.70 112.03 1v95 s SER 76 Ca 0.04 -0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.12 1v95 s SER 76 Cb -0.02 -0.50 -0.05 0.00 0.10 0.00 0.00 66.02 65.56 1v95 s SER 76 CO 0.05 0.22 0.01 0.00 0.98 0.00 0.00 173.24 174.50 1v95 s THR 78 N -2.80 3.18 -0.26 0.00 2.01 -1.14 -3.20 115.64 113.42 1v95 s THR 78 Ca 0.20 -0.80 -0.20 0.00 0.31 0.00 0.00 61.69 61.20 1v95 s THR 78 Cb 0.06 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 1v95 s THR 78 CO 0.10 0.26 0.60 -0.69 -0.69 0.00 0.00 174.62 174.20 1v95 s VAL 79 N 1.40 5.00 -0.19 3.82 1.01 -1.19 -1.31 120.40 128.94 1v95 s VAL 79 Ca 0.02 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.03 1v95 s VAL 79 Cb -0.16 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1v95 s VAL 79 CO -0.03 0.02 -0.16 0.20 0.00 0.00 0.00 175.10 175.13 1v95 s ASN 80 N 1.51 3.47 0.24 3.32 0.01 -0.66 -2.59 114.94 120.24 1v95 s ASN 80 Ca 0.25 -0.57 -0.23 0.00 -0.71 0.00 0.00 52.86 51.60 1v95 s ASN 80 Cb -0.15 -1.55 -0.09 0.00 0.41 0.00 0.00 41.25 39.87 1v95 s ASN 80 CO 0.09 0.01 0.81 -0.63 -1.51 0.00 0.00 177.10 175.87 1v95 s ILE 81 N 1.27 4.39 -0.12 0.60 1.01 -1.12 -1.84 121.20 125.40 1v95 s ILE 81 Ca 0.04 1.58 0.12 0.00 0.00 0.00 0.00 60.65 62.39 1v95 s ILE 81 Cb -0.14 -4.00 -0.17 0.00 0.01 0.00 0.00 42.46 38.17 1v95 s ILE 81 CO -0.09 0.29 0.08 0.23 0.00 0.00 0.00 174.94 175.45 1v95 n MET 82 N 0.94 1.67 -3.69 2.79 2.81 0.43 -4.51 117.12 117.56 1v95 n MET 82 Ca -0.02 -0.02 -0.32 0.00 -1.81 0.00 0.00 57.70 55.53 1v95 n MET 82 Cb 0.50 -1.34 -0.05 0.00 -0.71 0.00 0.00 33.22 31.63 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 -2.40 3.48 0.00 2.03 -0.12 -1.25 -4.97 117.98 114.75 1v95 s PHE 83 Ca -0.06 0.54 0.00 0.00 -0.05 0.00 0.00 56.93 57.35 1v95 s PHE 83 Cb 0.05 -1.99 0.00 0.00 -0.63 0.00 0.00 43.02 40.45 1v95 s PHE 83 CO 0.55 0.45 0.00 0.41 -0.05 0.00 0.00 175.22 176.58 1v95 n GLY 84 N 0.14 -1.35 3.37 1.99 0.00 -1.26 -4.82 105.19 103.26 1v95 n GLY 84 Ca -0.03 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.15 1.22 -2.30 2.61 -1.04 -1.26 -4.77 114.28 107.58 1v95 n THR 85 Ca 0.00 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.12 1v95 n THR 85 Cb 0.00 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 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 -1.31 2.93 -0.26 -2.82 0.04 -1.26 -4.90 135.00 127.43 1v95 s PRO 86 Ca 0.62 0.09 -0.03 0.00 0.04 0.00 0.00 61.00 61.71 1v95 s PRO 86 Cb -0.61 -4.36 0.02 0.00 0.04 0.00 0.00 34.50 29.58 1v95 s PRO 86 CO 0.60 -2.47 -0.02 -0.65 0.04 0.00 0.00 177.00 174.51 1v95 s GLN 87 N 6.34 3.00 -0.34 4.56 -1.52 -1.26 -5.07 119.66 125.37 1v95 s GLN 87 Ca 0.51 -0.88 -0.03 0.00 -1.95 0.00 0.00 55.36 53.01 1v95 s GLN 87 Cb -0.10 -3.10 0.06 0.00 -0.22 0.00 0.00 33.01 29.66 1v95 s GLN 87 CO 0.16 -0.38 0.09 -2.00 -0.25 0.00 0.00 175.29 172.91 1v95 s GLU 88 N 1.40 2.37 -0.42 2.91 2.12 -1.26 -2.79 118.70 123.03 1v95 s GLU 88 Ca 0.02 -1.40 -0.19 0.00 0.36 0.00 0.00 54.97 53.76 1v95 s GLU 88 Cb -0.16 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 30.87 1v95 s GLU 88 CO -0.02 -0.76 0.53 -1.01 -0.54 0.00 0.00 175.26 173.45 1v95 s HIS 89 N 1.27 3.13 -0.15 5.30 3.76 -1.07 -5.05 115.29 122.48 1v95 s HIS 89 Ca -0.00 -0.19 -0.07 0.00 -0.15 0.00 0.00 55.06 54.64 1v95 s HIS 89 Cb -0.21 -3.08 -0.04 0.00 1.11 0.00 0.00 32.58 30.37 1v95 s HIS 89 CO -0.01 -0.75 0.11 1.03 -0.85 0.00 0.00 174.74 174.27 1v95 s ARG 90 N 2.43 3.67 -0.26 1.40 0.52 -1.26 -3.19 118.95 122.26 1v95 s ARG 90 Ca 0.17 -0.23 -0.02 0.00 -0.52 0.00 0.00 55.73 55.13 1v95 s ARG 90 Cb -0.16 -3.20 0.01 0.00 0.52 0.00 0.00 34.95 32.12 1v95 s ARG 90 CO 0.16 0.55 0.05 0.09 0.02 0.00 0.00 175.30 176.17 1v95 n ASN 91 N 2.68 -6.46 -3.82 0.23 4.13 -1.26 -5.05 115.26 105.70 1v95 n ASN 91 Ca -0.18 1.37 -0.13 0.00 1.68 0.00 0.00 54.58 57.32 1v95 n ASN 91 Cb 0.54 -5.09 -0.14 0.00 -1.54 0.00 0.00 39.78 33.55 1v95 n ASN 91 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1v95 s MET 92 N -1.39 0.06 0.46 3.52 -1.94 -1.19 -5.07 119.30 113.74 1v95 s MET 92 Ca -0.06 0.14 -0.22 0.00 -1.71 0.00 0.00 55.69 53.84 1v95 s MET 92 Cb 0.00 -0.04 -0.09 0.00 2.01 0.00 0.00 34.83 36.72 1v95 s MET 92 CO 0.74 -0.05 1.04 -1.25 -0.01 0.00 0.00 175.02 175.49 1v95 s PRO 93 N 0.34 3.93 0.05 2.03 0.04 -1.26 -3.11 135.00 137.00 1v95 s PRO 93 Ca -0.03 1.42 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 1v95 s PRO 93 Cb -0.04 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 1v95 s PRO 93 CO -0.01 -0.33 1.23 1.96 0.04 0.00 0.00 177.00 179.88 1v95 h GLN 94 N 1.89 -0.27 -0.95 4.56 7.50 -1.94 1.48 115.11 127.38 1v95 h GLN 94 Ca -0.49 0.02 0.35 0.00 0.50 0.00 0.00 58.65 59.03 1v95 h GLN 94 Cb 1.22 0.06 -0.17 0.00 0.05 0.00 0.00 27.48 28.64 1v95 h GLN 94 CO 0.60 -0.18 0.33 0.00 -1.50 0.00 0.00 178.83 178.09 1v95 n ALA 95 N -2.70 0.80 0.13 3.87 0.00 -1.26 0.14 120.51 121.49 1v95 n ALA 95 Ca -0.03 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 54.29 1v95 n ALA 95 Cb 0.16 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1v95 n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1v95 h ASP 96 N 0.00 -0.34 -0.89 0.00 5.19 -1.41 -2.69 116.42 116.28 1v95 h ASP 96 Ca 0.73 -0.18 0.26 0.00 -0.62 0.00 0.00 57.03 57.22 1v95 h ASP 96 Cb 1.80 0.09 -0.04 0.00 0.18 0.00 0.00 39.33 41.36 1v95 h ASP 96 CO -0.79 0.13 0.73 0.00 -3.12 0.00 0.00 179.24 176.18 1v95 h ALA 97 N -0.62 2.77 -0.00 3.45 0.00 0.74 1.58 119.26 127.17 1v95 h ALA 97 Ca -0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1v95 h ALA 97 Cb 0.50 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1v95 h ALA 97 CO 0.07 -1.18 -0.69 0.52 0.00 0.00 0.00 179.25 177.96 1v95 h MET 98 N 0.00 0.01 0.20 0.00 2.86 0.13 -1.39 114.93 116.75 1v95 h MET 98 Ca 0.42 -0.01 -0.29 0.00 -2.06 0.00 0.00 59.70 57.76 1v95 h MET 98 Cb 1.87 0.00 0.03 0.00 0.06 0.00 0.00 31.60 33.56 1v95 h MET 98 CO -0.00 0.70 -1.28 -0.24 1.06 0.00 0.00 176.91 177.14 1v95 h VAL 99 N 0.01 1.31 0.00 -2.22 3.04 0.24 0.52 116.25 119.15 1v95 h VAL 99 Ca -0.01 -2.61 -0.05 0.00 -1.01 0.00 0.00 66.70 63.03 1v95 h VAL 99 Cb 1.23 3.05 -0.01 0.00 -2.01 0.00 0.00 31.29 33.55 1v95 h VAL 99 CO 0.09 0.78 -0.22 0.25 -1.01 0.00 0.00 177.57 177.46 1v95 h LEU 100 N -0.06 0.00 0.00 3.16 6.46 -0.70 0.74 115.31 124.91 1v95 h LEU 100 Ca -0.23 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.32 1v95 h LEU 100 Cb 1.97 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.87 1v95 h LEU 100 CO 0.21 0.22 -1.12 1.62 -0.62 0.00 0.00 178.44 178.76 1v95 h VAL 101 N 0.00 1.02 -0.70 1.05 3.04 -1.28 -2.59 116.25 116.78 1v95 h VAL 101 Ca -0.00 -2.20 0.04 0.00 -1.01 0.00 0.00 66.70 63.52 1v95 h VAL 101 Cb 0.42 2.37 -0.04 0.00 -2.01 0.00 0.00 31.29 32.03 1v95 h VAL 101 CO 0.03 0.36 0.46 0.00 -1.01 0.00 0.00 177.57 177.41 1v95 h ALA 102 N -0.42 1.61 -0.39 3.17 0.00 0.15 0.25 119.26 123.62 1v95 h ALA 102 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1v95 h ALA 102 Cb 1.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1v95 h ALA 102 CO -0.18 0.32 0.00 0.54 0.00 0.00 0.00 179.25 179.93 1v95 n ARG 103 N -4.46 0.00 -0.33 0.00 5.12 0.26 -2.93 116.66 114.32 1v95 n ARG 103 Ca 0.09 0.43 -0.08 0.00 -1.93 0.00 0.00 57.85 56.36 1v95 n ARG 103 Cb 0.13 -1.11 -0.05 0.00 -1.16 0.00 0.00 32.46 30.28 1v95 n ARG 103 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1v95 h ASN 104 N 0.00 -1.78 -0.91 0.55 2.35 -1.46 0.83 115.58 115.16 1v95 h ASN 104 Ca 0.00 0.30 0.10 0.00 -0.55 0.00 0.00 56.30 56.15 1v95 h ASN 104 Cb 0.00 0.82 -0.12 0.00 0.05 0.00 0.00 38.32 39.07 1v95 h ASN 104 CO 0.00 -0.29 -0.48 0.00 -1.65 0.00 0.00 177.43 175.01 1v95 n TYR 105 N -5.36 -0.26 -0.31 1.19 9.36 0.87 0.67 117.16 123.32 1v95 n TYR 105 Ca 0.03 1.13 -0.07 0.00 3.32 0.00 0.00 57.90 62.31 1v95 n TYR 105 Cb 0.33 -0.66 -0.03 0.00 -0.63 0.00 0.00 39.34 38.35 1v95 n TYR 105 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1v95 h GLU 106 N 0.00 -0.11 0.51 2.98 4.39 -0.71 0.31 114.58 121.95 1v95 h GLU 106 Ca 0.20 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1v95 h GLU 106 Cb 0.43 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1v95 h GLU 106 CO -0.87 -0.07 -0.24 -0.09 -1.16 0.00 0.00 179.01 176.58 1v95 h ARG 107 N -0.11 -0.65 -0.98 2.33 9.65 -0.21 -2.43 114.38 121.98 1v95 h ARG 107 Ca 0.22 0.04 0.23 0.00 -1.10 0.00 0.00 59.98 59.37 1v95 h ARG 107 Cb 0.54 0.15 -0.18 0.00 -1.39 0.00 0.00 29.97 29.08 1v95 h ARG 107 CO -0.83 -0.38 -0.12 -0.92 2.80 0.00 0.00 179.97 180.52 1v95 h TYR 108 N -0.81 -0.30 -0.17 2.20 3.20 0.15 0.86 116.97 122.11 1v95 h TYR 108 Ca -0.07 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1v95 h TYR 108 Cb 0.58 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1v95 h TYR 108 CO -0.01 -0.42 0.08 0.87 -1.64 0.00 0.00 178.16 177.04 1v95 h LYS 109 N 0.01 0.18 -1.21 1.82 1.57 -0.28 1.08 116.57 119.74 1v95 h LYS 109 Ca 0.53 -0.01 0.35 0.00 -1.87 0.00 0.00 60.65 59.65 1v95 h LYS 109 Cb 0.95 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.13 1v95 h LYS 109 CO -0.96 0.12 0.80 -0.91 -0.57 0.00 0.00 179.45 177.93 1v95 h ASN 110 N 0.18 0.27 0.49 0.86 2.35 0.12 1.20 115.58 121.06 1v95 h ASN 110 Ca 0.07 0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 1v95 h ASN 110 Cb 0.01 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1v95 h ASN 110 CO -0.04 -0.02 -1.64 -0.62 -1.65 0.00 0.00 177.43 173.45 1v95 n GLU 111 N -4.52 0.64 0.12 0.81 -0.58 -0.39 -4.19 120.64 112.53 1v95 n GLU 111 Ca 0.30 0.12 -0.14 0.00 -0.42 0.00 0.00 57.16 57.02 1v95 n GLU 111 Cb 1.19 -1.72 -0.08 0.00 -0.57 0.00 0.00 31.44 30.26 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 -0.43 -0.07 -5.57 0.00 2.47 -0.45 -3.35 114.38 106.98 1v95 h ARG 113 Ca -0.03 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.19 1v95 h ARG 113 Cb 0.33 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 1v95 h ARG 113 CO 0.04 -0.05 1.62 0.39 0.56 0.00 0.00 179.97 182.54 1v95 n GLU 114 N -5.46 0.91 -3.92 0.04 1.02 -1.13 -4.78 120.64 107.32 1v95 n GLU 114 Ca 0.08 0.08 0.01 0.00 -0.02 0.00 0.00 57.16 57.31 1v95 n GLU 114 Cb 0.38 -2.91 0.01 0.00 -0.02 0.00 0.00 31.44 28.91 1v95 n GLU 114 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1v95 s LYS 115 N 8.00 0.64 0.02 3.49 2.20 -1.26 -5.00 119.74 127.83 1v95 s LYS 115 Ca 1.08 -0.41 -0.27 0.00 -0.36 0.00 0.00 55.97 56.01 1v95 s LYS 115 Cb -0.50 0.18 -0.16 0.00 -1.51 0.00 0.00 37.83 35.84 1v95 s LYS 115 CO 0.35 -0.30 1.23 1.49 -0.36 0.00 0.00 175.35 177.76 1v95 h GLU 116 N 2.00 -0.68 -0.29 4.03 4.81 -1.94 -3.46 114.58 119.05 1v95 h GLU 116 Ca -0.24 0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.91 1v95 h GLU 116 Cb 1.20 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 1v95 h GLU 116 CO 0.32 -0.38 -0.11 0.54 -0.73 0.00 0.00 179.01 178.65 1v95 n ARG 117 N -5.30 -1.62 -1.08 1.92 5.12 -1.26 -4.90 116.66 109.54 1v95 n ARG 117 Ca -0.11 0.67 -0.36 0.00 -1.93 0.00 0.00 57.85 56.12 1v95 n ARG 117 Cb 0.32 -4.99 0.02 0.00 -1.16 0.00 0.00 32.46 26.66 1v95 n ARG 117 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1v95 n GLU 118 N -0.42 0.00 -1.51 5.56 2.13 -1.26 -4.87 120.64 120.27 1v95 n GLU 118 Ca -0.06 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.53 1v95 n GLU 118 Cb 0.50 -0.96 0.08 0.00 0.27 0.00 0.00 31.44 31.33 1v95 n GLU 118 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1v95 n GLU 119 N 1.94 2.88 -3.80 5.31 4.07 -1.26 -4.95 120.64 124.84 1v95 n GLU 119 Ca 0.03 -3.65 -0.37 0.00 -0.06 0.00 0.00 57.16 53.11 1v95 n GLU 119 Cb 0.50 -2.17 -0.13 0.00 -0.06 0.00 0.00 31.44 29.58 1v95 n GLU 119 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1v95 s ILE 120 N -4.32 3.79 -0.31 6.31 1.01 -1.26 -5.00 121.20 121.42 1v95 s ILE 120 Ca 0.54 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1v95 s ILE 120 Cb 0.44 -2.94 0.19 0.00 0.01 0.00 0.00 42.46 40.16 1v95 s ILE 120 CO 0.02 0.12 1.00 0.00 0.00 0.00 0.00 174.94 176.07 1v95 s ALA 121 N 1.48 -3.97 0.37 9.38 0.00 -1.26 -5.17 121.76 122.58 1v95 s ALA 121 Ca 0.02 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.33 1v95 s ALA 121 Cb -0.17 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 1v95 s ALA 121 CO 0.01 -2.19 0.40 1.03 0.00 0.00 0.00 175.76 175.02 1v95 s ARG 122 N 2.64 2.81 0.24 0.00 1.81 -1.26 -5.04 118.95 120.15 1v95 s ARG 122 Ca 0.23 -1.26 0.00 0.00 -1.72 0.00 0.00 55.73 52.98 1v95 s ARG 122 Cb -0.01 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 31.89 1v95 s ARG 122 CO -0.20 -0.03 0.00 0.94 -0.68 0.00 0.00 175.30 175.33 1v95 n GLN 123 N -1.56 0.00 -2.87 3.54 0.00 -1.26 -5.09 117.38 110.14 1v95 n GLN 123 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 57.00 1v95 n GLN 123 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.84 1v95 n GLN 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v95 n ALA 124 N -3.27 -2.50 -1.48 1.69 0.00 -1.26 -4.77 120.51 108.92 1v95 n ALA 124 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1v95 n ALA 124 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1v95 n ALA 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1v95 n SER 125 N -1.47 -8.07 -3.58 0.00 2.88 -1.26 -5.02 113.62 97.10 1v95 n SER 125 Ca 0.02 1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 58.59 1v95 n SER 125 Cb 0.49 -4.41 -0.13 0.00 -0.75 0.00 0.00 64.21 59.41 1v95 n SER 125 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v95 s GLY 126 N -3.40 -0.08 0.04 0.46 0.00 -1.26 -5.13 107.32 97.94 1v95 s GLY 126 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 44.72 45.09 1v95 s GLY 126 CO 0.00 2.05 1.17 2.56 0.00 0.00 0.00 173.10 178.88 1v95 s PRO 127 N 2.39 4.44 -0.79 2.90 0.04 -1.26 -4.99 135.00 137.73 1v95 s PRO 127 Ca 0.04 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 1v95 s PRO 127 Cb -0.13 -3.39 0.21 0.00 0.04 0.00 0.00 34.50 31.23 1v95 s PRO 127 CO -0.10 -0.26 0.72 -1.12 0.04 0.00 0.00 177.00 176.28 1v95 s SER 128 N 1.11 6.59 -0.45 6.66 0.01 -1.26 -4.90 113.70 121.46 1v95 s SER 128 Ca 0.58 -2.64 0.05 0.00 1.31 0.00 0.00 55.95 55.25 1v95 s SER 128 Cb -0.28 -2.18 0.18 0.00 0.21 0.00 0.00 66.02 63.95 1v95 s SER 128 CO 0.28 -0.57 0.51 -0.94 0.41 0.00 0.00 173.24 172.93 1v95 s SER 129 N 2.13 0.15 0.00 2.44 1.04 -1.26 -5.38 113.70 112.82 1v95 s SER 129 Ca 0.17 -2.30 0.00 0.00 0.48 0.00 0.00 55.95 54.30 1v95 s SER 129 Cb -0.12 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1v95 s SER 129 CO -0.08 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.62