#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v95 s SER 2 N 0.00 1.18 -0.86 1.61 0.15 -1.26 -5.09 113.70 109.43 1v95 s SER 2 Ca 0.00 -0.18 -0.17 0.00 0.70 0.00 0.00 55.95 56.30 1v95 s SER 2 Cb 0.00 -0.34 0.17 0.00 -1.71 0.00 0.00 66.02 64.14 1v95 s SER 2 CO 0.00 0.05 0.94 -0.44 1.20 0.00 0.00 173.24 175.00 1v95 s SER 3 N 0.25 6.66 0.60 5.45 0.01 -1.26 -4.91 113.70 120.51 1v95 s SER 3 Ca -0.04 -2.28 0.00 0.00 1.31 0.00 0.00 55.95 54.94 1v95 s SER 3 Cb -0.09 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1v95 s SER 3 CO 0.01 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1v95 n GLY 4 N 4.81 -3.97 1.02 3.44 0.00 -1.26 -5.01 105.19 104.22 1v95 n GLY 4 Ca 0.17 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1v95 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v95 n SER 5 N -2.85 0.45 -3.60 1.61 3.41 -1.26 -5.15 113.62 106.23 1v95 n SER 5 Ca -0.01 0.06 -0.05 0.00 -0.26 0.00 0.00 58.87 58.61 1v95 n SER 5 Cb 0.52 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1v95 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v95 s SER 6 N -5.40 -0.22 0.94 4.04 0.01 -1.26 -5.18 113.70 106.63 1v95 s SER 6 Ca 0.00 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.01 1v95 s SER 6 Cb 0.00 0.31 0.19 0.00 0.21 0.00 0.00 66.02 66.73 1v95 s SER 6 CO 0.00 -0.53 1.29 -0.83 0.41 0.00 0.00 173.24 173.58 1v95 s GLY 7 N -2.58 1.78 0.09 3.44 0.00 -1.26 -4.91 107.32 103.88 1v95 s GLY 7 Ca 0.09 -1.23 -0.30 0.00 0.00 0.00 0.00 44.72 43.28 1v95 s GLY 7 CO -0.05 -0.48 1.15 2.56 0.00 0.00 0.00 173.10 176.28 1v95 s PRO 8 N -5.83 4.49 -0.14 2.90 0.04 -1.26 -4.78 135.00 130.42 1v95 s PRO 8 Ca 0.73 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.49 1v95 s PRO 8 Cb -0.04 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.21 1v95 s PRO 8 CO 0.52 -0.14 -0.02 0.08 0.04 0.00 0.00 177.00 177.48 1v95 s VAL 9 N 0.65 0.75 0.33 -0.36 1.01 -1.26 -4.96 120.40 116.56 1v95 s VAL 9 Ca 0.55 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.27 1v95 s VAL 9 Cb -0.29 -0.98 0.35 0.00 0.00 0.00 0.00 36.38 35.46 1v95 s VAL 9 CO 0.31 0.11 1.62 0.44 0.00 0.00 0.00 175.10 177.58 1v95 h ASP 10 N 8.21 0.09 -2.03 3.32 3.32 -1.58 -3.31 116.42 124.44 1v95 h ASP 10 Ca -0.22 0.23 -0.23 0.00 0.02 0.00 0.00 57.03 56.84 1v95 h ASP 10 Cb 1.12 0.29 -0.31 0.00 0.22 0.00 0.00 39.33 40.64 1v95 h ASP 10 CO 0.35 -0.27 -0.55 0.00 -1.72 0.00 0.00 179.24 177.05 1v95 s SER 12 N 2.46 6.82 -0.05 0.00 0.15 -0.30 -3.33 113.70 119.44 1v95 s SER 12 Ca 0.10 0.97 -0.19 0.00 0.70 0.00 0.00 55.95 57.53 1v95 s SER 12 Cb -0.15 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 61.82 1v95 s SER 12 CO -0.21 0.16 0.53 -0.69 1.20 0.00 0.00 173.24 174.23 1v95 s VAL 13 N -0.30 5.05 -0.33 4.45 1.01 0.14 -0.37 120.40 130.05 1v95 s VAL 13 Ca 0.26 1.09 -0.06 0.00 0.00 0.00 0.00 61.98 63.27 1v95 s VAL 13 Cb -0.17 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1v95 s VAL 13 CO 0.13 0.39 0.08 -0.63 0.00 0.00 0.00 175.10 175.08 1v95 s ILE 14 N 0.09 3.70 -0.37 2.22 -1.09 0.45 -0.33 121.20 125.88 1v95 s ILE 14 Ca 0.28 -1.09 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1v95 s ILE 14 Cb -0.17 -3.06 0.11 0.00 -1.58 0.00 0.00 42.46 37.76 1v95 s ILE 14 CO 0.14 -0.12 0.12 0.54 -1.23 0.00 0.00 174.94 174.39 1v95 s VAL 15 N 1.40 1.67 0.17 2.92 0.11 0.01 0.14 120.40 126.82 1v95 s VAL 15 Ca -0.01 -2.16 -0.09 0.00 -2.93 0.00 0.00 61.98 56.79 1v95 s VAL 15 Cb -0.19 -2.22 -0.01 0.00 -1.53 0.00 0.00 36.38 32.42 1v95 s VAL 15 CO 0.02 -0.70 1.53 -0.37 -3.33 0.00 0.00 175.10 172.26 1v95 h VAL 16 N 6.21 1.27 -4.39 2.04 -1.51 -1.75 -2.50 116.25 115.62 1v95 h VAL 16 Ca -0.07 -1.48 -0.46 0.00 -1.23 0.00 0.00 66.70 63.46 1v95 h VAL 16 Cb 0.99 1.29 0.13 0.00 -2.13 0.00 0.00 31.29 31.56 1v95 h VAL 16 CO 0.52 0.50 0.41 0.20 -1.23 0.00 0.00 177.57 177.97 1v95 s ASN 17 N -6.79 3.95 -0.09 4.19 -0.87 -1.26 -3.86 114.94 110.20 1v95 s ASN 17 Ca -0.10 0.59 0.06 0.00 -1.57 0.00 0.00 52.86 51.83 1v95 s ASN 17 Cb 0.12 -0.90 -0.10 0.00 -0.02 0.00 0.00 41.25 40.34 1v95 s ASN 17 CO 0.87 -2.24 0.00 0.29 -2.57 0.00 0.00 177.10 173.45 1v95 n LYS 18 N -3.50 2.06 -0.33 -0.60 4.76 -1.26 -4.55 118.16 114.74 1v95 n LYS 18 Ca 0.11 0.01 0.15 0.00 -2.87 0.00 0.00 58.31 55.71 1v95 n LYS 18 Cb 0.60 -1.23 0.37 0.00 -1.84 0.00 0.00 35.03 32.94 1v95 n LYS 18 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1v95 h GLN 19 N 0.00 0.65 -2.01 1.97 -0.00 -1.98 -0.74 115.11 113.00 1v95 h GLN 19 Ca -0.24 -0.04 -0.38 0.00 -0.00 0.00 0.00 58.65 57.98 1v95 h GLN 19 Cb 1.52 -0.15 -0.13 0.00 0.00 0.00 0.00 27.48 28.72 1v95 h GLN 19 CO 0.00 0.43 0.14 0.25 0.00 0.00 0.00 178.83 179.65 1v95 n THR 20 N -4.72 3.23 0.03 2.39 -2.24 -1.26 -4.26 114.28 107.45 1v95 n THR 20 Ca 0.23 -2.43 -0.22 0.00 -2.27 0.00 0.00 64.05 59.36 1v95 n THR 20 Cb 0.63 -1.76 -0.14 0.00 -2.10 0.00 0.00 70.33 66.95 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 3.03 0.31 0.07 -0.78 3.64 -1.43 -2.34 116.57 119.07 1v95 h LYS 21 Ca 0.32 -0.53 -0.26 0.00 -1.27 0.00 0.00 60.65 58.91 1v95 h LYS 21 Cb 1.02 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1v95 h LYS 21 CO 0.64 1.25 -1.29 -0.44 -2.27 0.00 0.00 179.45 177.34 1v95 h ASP 22 N -0.01 0.22 0.17 4.20 5.19 -1.84 -2.67 116.42 121.68 1v95 h ASP 22 Ca -0.37 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 55.76 1v95 h ASP 22 Cb 1.99 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 41.43 1v95 h ASP 22 CO 0.11 1.22 -0.08 0.22 -3.12 0.00 0.00 179.24 177.59 1v95 h TYR 23 N 0.04 -0.21 -0.93 4.55 5.03 -1.83 -3.06 116.97 120.56 1v95 h TYR 23 Ca -0.14 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.22 1v95 h TYR 23 Cb 1.92 0.07 -0.06 0.00 1.55 0.00 0.00 36.73 40.21 1v95 h TYR 23 CO 0.03 0.21 0.60 0.00 -1.32 0.00 0.00 178.16 177.69 1v95 h ALA 24 N -0.32 1.45 0.00 1.82 0.00 -1.57 0.36 119.26 121.01 1v95 h ALA 24 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1v95 h ALA 24 Cb 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1v95 h ALA 24 CO 0.04 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.11 1v95 n GLU 25 N -4.47 0.07 -0.02 0.00 1.02 -1.01 -1.14 120.64 115.11 1v95 n GLU 25 Ca 0.13 0.50 -0.01 0.00 -0.02 0.00 0.00 57.16 57.76 1v95 n GLU 25 Cb 0.15 -1.70 -0.00 0.00 -0.02 0.00 0.00 31.44 29.87 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 -0.88 1.62 0.87 -0.18 -3.23 113.55 111.74 1v95 h SER 26 Ca 0.00 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.82 1v95 h SER 26 Cb 0.08 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 1v95 h SER 26 CO 0.00 0.16 0.68 1.62 -0.53 0.00 0.00 176.83 178.76 1v95 h VAL 27 N -0.23 0.47 0.00 2.23 3.04 -1.39 1.74 116.25 122.11 1v95 h VAL 27 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1v95 h VAL 27 Cb 0.09 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 29.88 1v95 h VAL 27 CO 0.00 0.00 -0.20 1.23 -1.01 0.00 0.00 177.57 177.59 1v95 h GLY 28 N 0.00 0.00 0.61 3.17 0.00 -1.29 -3.06 103.07 102.50 1v95 h GLY 28 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.41 1v95 h GLY 28 CO -0.00 0.00 -1.99 -0.96 0.00 0.00 0.00 176.54 173.59 1v95 n ARG 29 N -3.36 0.68 -0.24 4.80 1.85 0.56 -3.87 116.66 117.08 1v95 n ARG 29 Ca 0.00 0.22 0.23 0.00 -1.00 0.00 0.00 57.85 57.30 1v95 n ARG 29 Cb 0.42 -1.69 0.58 0.00 -1.05 0.00 0.00 32.46 30.72 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 0.02 0.26 0.00 2.89 6.56 -0.60 1.31 116.57 127.01 1v95 h LYS 30 Ca -0.40 -0.02 -0.17 0.00 -1.06 0.00 0.00 60.65 59.01 1v95 h LYS 30 Cb 2.05 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 33.63 1v95 h LYS 30 CO 0.06 0.17 -0.79 0.28 -2.06 0.00 0.00 179.45 177.11 1v95 h VAL 31 N 0.27 1.46 -0.03 0.50 2.07 -1.69 -3.15 116.25 115.68 1v95 h VAL 31 Ca 0.48 -2.81 -0.16 0.00 0.82 0.00 0.00 66.70 65.03 1v95 h VAL 31 Cb 1.42 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 1v95 h VAL 31 CO -0.14 0.77 -0.69 0.03 0.02 0.00 0.00 177.57 177.56 1v95 h ARG 32 N 0.00 0.14 0.00 1.57 3.08 0.14 -2.64 114.38 116.67 1v95 h ARG 32 Ca -0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1v95 h ARG 32 Cb 1.50 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1v95 h ARG 32 CO 0.10 0.77 0.01 0.22 -1.07 0.00 0.00 179.97 180.01 1v95 h ASP 33 N 0.10 0.00 0.53 7.04 1.82 -0.38 0.88 116.42 126.40 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 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1v95 h ASP 33 CO 0.10 0.00 -0.63 0.18 -1.61 0.00 0.00 179.24 177.28 1v95 n LEU 34 N -2.76 0.58 0.00 2.28 4.77 -1.02 -4.93 117.00 115.93 1v95 n LEU 34 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1v95 n LEU 34 Cb 0.06 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1v95 n LEU 34 CO 0.16 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1v95 n GLY 35 N 1.45 1.39 3.59 -0.72 0.00 0.30 -5.09 105.19 106.10 1v95 n GLY 35 Ca 0.04 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1v95 n GLY 35 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1v95 s MET 36 N -0.96 3.28 0.03 1.61 1.00 -1.08 -5.01 119.30 118.16 1v95 s MET 36 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 55.69 54.91 1v95 s MET 36 Cb 0.00 -2.83 -0.07 0.00 0.00 0.00 0.00 34.83 31.93 1v95 s MET 36 CO 0.00 0.48 1.63 0.08 0.00 0.00 0.00 175.02 177.22 1v95 s VAL 37 N -0.29 3.27 0.04 -6.03 1.01 -1.26 -3.59 120.40 113.54 1v95 s VAL 37 Ca 0.05 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.66 1v95 s VAL 37 Cb -0.12 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1v95 s VAL 37 CO 0.02 -0.02 -0.07 -0.69 0.00 0.00 0.00 175.10 174.34 1v95 s VAL 38 N 3.04 0.50 0.19 2.92 1.01 -1.26 -1.10 120.40 125.71 1v95 s VAL 38 Ca 0.73 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1v95 s VAL 38 Cb -0.37 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1v95 s VAL 38 CO 0.31 -0.44 0.19 -0.62 0.00 0.00 0.00 175.10 174.53 1v95 s ASP 39 N -1.71 0.14 -0.13 3.32 2.15 -1.21 -5.00 116.67 114.22 1v95 s ASP 39 Ca -0.09 -1.20 0.00 0.00 0.43 0.00 0.00 52.55 51.70 1v95 s ASP 39 Cb -0.08 0.40 -0.01 0.00 -0.30 0.00 0.00 42.92 42.93 1v95 s ASP 39 CO -0.00 -0.87 -0.15 -0.76 -0.17 0.00 0.00 175.17 173.22 1v95 s LEU 40 N -3.08 2.57 -0.33 -1.34 1.02 -1.26 0.26 118.68 116.52 1v95 s LEU 40 Ca 0.30 -0.40 -0.05 0.00 0.02 0.00 0.00 54.13 54.00 1v95 s LEU 40 Cb 0.05 -1.57 0.04 0.00 0.02 0.00 0.00 46.19 44.73 1v95 s LEU 40 CO 0.07 0.14 0.07 -0.63 0.02 0.00 0.00 176.35 176.03 1v95 s ILE 41 N 0.49 3.56 -0.22 -0.59 1.01 0.56 -4.94 121.20 121.07 1v95 s ILE 41 Ca -0.10 -1.19 -0.13 0.00 0.00 0.00 0.00 60.65 59.23 1v95 s ILE 41 Cb -0.16 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1v95 s ILE 41 CO 0.04 -0.15 0.25 -0.36 0.00 0.00 0.00 174.94 174.73 1v95 s PHE 42 N 1.36 3.35 -0.71 3.97 0.08 -1.26 -0.81 117.98 123.97 1v95 s PHE 42 Ca -0.03 0.40 0.04 0.00 0.12 0.00 0.00 56.93 57.47 1v95 s PHE 42 Cb -0.20 -2.36 0.25 0.00 -0.57 0.00 0.00 43.02 40.14 1v95 s PHE 42 CO 0.02 0.06 0.82 1.28 -0.10 0.00 0.00 175.22 177.30 1v95 n LEU 43 N 4.26 4.07 -4.49 -0.37 4.77 -0.94 -4.98 117.00 119.32 1v95 n LEU 43 Ca -0.12 -5.39 -0.43 0.00 -0.03 0.00 0.00 56.01 50.03 1v95 n LEU 43 Cb 0.52 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1v95 n LEU 43 CO 0.37 1.97 1.40 0.21 -1.33 0.00 0.00 177.39 180.01 1v95 s ASN 44 N -2.23 6.86 -1.08 -1.43 2.47 -1.26 -4.31 114.94 113.95 1v95 s ASN 44 Ca 0.37 -2.50 -0.04 0.00 0.42 0.00 0.00 52.86 51.12 1v95 s ASN 44 Cb 0.11 -2.45 -0.04 0.00 -1.45 0.00 0.00 41.25 37.42 1v95 s ASN 44 CO -0.01 -0.98 0.93 0.41 -3.72 0.00 0.00 177.10 173.72 1v95 n THR 45 N 5.39 -7.81 0.03 -5.21 -1.04 -1.26 -4.95 114.28 99.43 1v95 n THR 45 Ca 0.35 -1.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1v95 n THR 45 Cb 0.46 -5.88 0.00 0.00 -1.82 0.00 0.00 70.33 63.09 1v95 n THR 45 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1v95 n GLU 46 N -3.52 0.00 -4.33 -2.82 2.13 -1.26 -5.15 120.64 105.69 1v95 n GLU 46 Ca -0.15 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.46 1v95 n GLU 46 Cb 0.64 -0.07 -0.08 0.00 0.27 0.00 0.00 31.44 32.20 1v95 n GLU 46 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1v95 s VAL 47 N -1.29 0.11 0.61 6.31 -7.23 -1.26 -5.17 120.40 112.47 1v95 s VAL 47 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1v95 s VAL 47 Cb 0.00 -2.46 0.07 0.00 0.56 0.00 0.00 36.38 34.55 1v95 s VAL 47 CO 0.00 0.00 0.84 -0.55 -0.31 0.00 0.00 175.10 175.08 1v95 s SER 48 N -3.42 4.94 0.05 4.85 0.15 -1.26 -4.91 113.70 114.10 1v95 s SER 48 Ca 0.37 -0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.44 1v95 s SER 48 Cb 0.02 -0.38 -0.15 0.00 -1.71 0.00 0.00 66.02 63.80 1v95 s SER 48 CO 0.25 -1.40 1.44 0.25 1.20 0.00 0.00 173.24 174.98 1v95 h LEU 49 N -0.09 -0.97 -0.80 3.45 6.46 -2.00 -2.71 115.31 118.66 1v95 h LEU 49 Ca -0.38 0.05 0.18 0.00 -0.12 0.00 0.00 57.88 57.61 1v95 h LEU 49 Cb 1.28 0.28 -0.14 0.00 -0.73 0.00 0.00 40.66 41.35 1v95 h LEU 49 CO 0.46 -0.60 -0.05 0.77 -0.62 0.00 0.00 178.44 178.39 1v95 h SER 50 N -0.97 -0.48 -1.34 1.25 4.64 -1.97 1.20 113.55 115.88 1v95 h SER 50 Ca -0.09 0.22 0.39 0.00 -0.47 0.00 0.00 61.79 61.84 1v95 h SER 50 Cb 0.77 0.41 -0.08 0.00 -0.31 0.00 0.00 62.40 63.19 1v95 h SER 50 CO 0.10 -0.23 0.93 1.56 -0.87 0.00 0.00 176.83 178.32 1v95 h GLN 51 N 0.06 0.09 0.15 4.77 7.50 -1.87 1.25 115.11 127.06 1v95 h GLN 51 Ca 0.43 -0.01 -0.34 0.00 0.50 0.00 0.00 58.65 59.23 1v95 h GLN 51 Cb 0.74 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.25 1v95 h GLN 51 CO -0.74 0.06 -1.77 0.00 -1.50 0.00 0.00 178.83 174.88 1v95 h ALA 52 N 1.41 0.24 -0.57 3.87 0.00 0.15 -3.19 119.26 121.18 1v95 h ALA 52 Ca 0.70 -1.21 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1v95 h ALA 52 Cb 2.47 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 20.77 1v95 h ALA 52 CO -0.15 1.07 0.35 -0.07 0.00 0.00 0.00 179.25 180.45 1v95 h LEU 53 N 0.01 0.58 -1.44 0.00 3.38 0.24 1.32 115.31 119.40 1v95 h LEU 53 Ca -0.36 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1v95 h LEU 53 Cb 2.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1v95 h LEU 53 CO 0.12 0.41 0.19 -0.08 0.09 0.00 0.00 178.44 179.17 1v95 h GLU 54 N 0.70 0.57 0.03 1.13 4.81 0.11 -1.07 114.58 120.86 1v95 h GLU 54 Ca 0.23 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.16 1v95 h GLU 54 Cb 0.01 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1v95 h GLU 54 CO -0.09 0.45 -1.12 -0.44 -0.73 0.00 0.00 179.01 177.08 1v95 h ASP 55 N 0.58 0.11 -0.25 1.04 3.32 -1.18 -2.67 116.42 117.36 1v95 h ASP 55 Ca 0.15 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1v95 h ASP 55 Cb 0.07 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1v95 h ASP 55 CO -0.02 1.09 0.17 0.58 -1.72 0.00 0.00 179.24 179.34 1v95 h VAL 56 N 0.02 1.07 0.43 -1.35 2.07 0.27 1.33 116.25 120.08 1v95 h VAL 56 Ca -0.06 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1v95 h VAL 56 Cb 1.84 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1v95 h VAL 56 CO 0.14 0.07 -0.20 -1.28 0.02 0.00 0.00 177.57 176.31 1v95 h SER 57 N 0.34 -0.48 -0.99 0.57 0.87 -1.31 0.24 113.55 112.79 1v95 h SER 57 Ca 0.09 0.02 0.18 0.00 -1.23 0.00 0.00 61.79 60.85 1v95 h SER 57 Cb -0.03 0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 61.95 1v95 h SER 57 CO -0.02 -0.25 0.61 0.08 -0.53 0.00 0.00 176.83 176.73 1v95 h ARG 58 N -0.77 0.73 -0.19 2.24 0.11 -1.48 0.41 114.38 115.43 1v95 h ARG 58 Ca -0.06 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 1v95 h ARG 58 Cb 0.44 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 1v95 h ARG 58 CO 0.10 0.49 0.04 0.78 0.10 0.00 0.00 179.97 181.47 1v95 h GLY 59 N 0.76 0.29 0.00 0.08 0.00 0.18 -3.46 103.07 100.91 1v95 h GLY 59 Ca 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1v95 h GLY 59 CO -0.34 0.13 0.00 0.61 0.00 0.00 0.00 176.54 176.94 1v95 n GLY 60 N -1.25 2.26 3.21 4.60 0.00 0.14 -4.37 105.19 109.78 1v95 n GLY 60 Ca -0.00 -0.52 -0.59 0.00 0.00 0.00 0.00 46.02 44.91 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 0.82 0.01 1.61 7.64 0.76 -4.80 113.62 119.66 1v95 n SER 61 Ca 0.00 0.76 -0.18 0.00 1.01 0.00 0.00 58.87 60.45 1v95 n SER 61 Cb 0.00 -0.86 -0.10 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 7.75 0.62 -6.50 1.43 0.13 -1.65 -3.35 132.00 130.44 1v95 h PRO 62 Ca -0.17 -0.61 -0.68 0.00 -0.87 0.00 0.00 66.00 63.67 1v95 h PRO 62 Cb 1.35 0.16 -0.18 0.00 0.13 0.00 0.00 31.00 32.45 1v95 h PRO 62 CO 1.02 1.22 -0.76 -0.06 -0.23 0.00 0.00 178.00 179.19 1v95 s PHE 63 N -3.43 2.70 -0.04 1.56 0.08 -0.90 0.19 117.98 118.15 1v95 s PHE 63 Ca -0.11 -0.17 -0.00 0.00 0.12 0.00 0.00 56.93 56.77 1v95 s PHE 63 Cb 0.06 -1.48 0.03 0.00 -0.57 0.00 0.00 43.02 41.06 1v95 s PHE 63 CO 0.88 0.35 0.02 0.00 -0.10 0.00 0.00 175.22 176.37 1v95 s ALA 64 N -1.05 0.33 -0.17 5.36 0.00 -0.70 -1.15 121.76 124.37 1v95 s ALA 64 Ca 0.18 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1v95 s ALA 64 Cb -0.11 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1v95 s ALA 64 CO 0.09 -0.21 0.24 0.42 0.00 0.00 0.00 175.76 176.29 1v95 s ILE 65 N 1.39 5.34 -0.25 0.00 1.01 0.50 -1.79 121.20 127.40 1v95 s ILE 65 Ca -0.05 0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.87 1v95 s ILE 65 Cb -0.13 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1v95 s ILE 65 CO -0.03 0.42 0.41 0.54 0.00 0.00 0.00 174.94 176.28 1v95 s VAL 66 N 0.36 5.16 -0.07 2.92 0.11 -0.49 0.17 120.40 128.57 1v95 s VAL 66 Ca 0.14 0.67 0.03 0.00 -2.93 0.00 0.00 61.98 59.89 1v95 s VAL 66 Cb -0.12 -3.73 0.01 0.00 -1.53 0.00 0.00 36.38 31.00 1v95 s VAL 66 CO 0.02 0.17 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.17 1v95 s ILE 67 N 1.89 1.44 0.00 7.04 -1.09 0.36 -3.06 121.20 127.78 1v95 s ILE 67 Ca 0.17 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1v95 s ILE 67 Cb -0.15 -1.27 0.00 0.00 -1.58 0.00 0.00 42.46 39.46 1v95 s ILE 67 CO 0.09 0.42 0.00 0.35 -1.23 0.00 0.00 174.94 174.57 1v95 n THR 68 N 3.57 0.00 0.08 2.92 -2.24 -1.26 -3.33 114.28 114.01 1v95 n THR 68 Ca -0.21 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1v95 n THR 68 Cb 0.52 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1v95 n THR 68 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1v95 h GLN 69 N 0.00 -0.23 -0.45 -0.78 4.15 -2.00 -3.06 115.11 112.74 1v95 h GLN 69 Ca 0.00 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.51 1v95 h GLN 69 Cb 0.00 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 27.65 1v95 h GLN 69 CO 0.00 -0.16 -0.41 0.37 -1.93 0.00 0.00 178.83 176.70 1v95 h GLN 70 N -0.59 -0.28 -0.98 1.69 4.15 -1.99 -0.43 115.11 116.68 1v95 h GLN 70 Ca -0.02 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.55 1v95 h GLN 70 Cb 0.19 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 27.79 1v95 h GLN 70 CO 0.04 -0.18 -0.43 0.45 -1.93 0.00 0.00 178.83 176.77 1v95 h HIS 71 N -0.29 -1.27 -0.96 3.99 3.86 -1.83 1.22 115.15 119.88 1v95 h HIS 71 Ca 0.16 0.11 0.36 0.00 -1.16 0.00 0.00 60.37 59.84 1v95 h HIS 71 Cb 0.57 0.69 -0.17 0.00 1.06 0.00 0.00 27.41 29.56 1v95 h HIS 71 CO -0.63 -0.40 0.38 0.94 0.86 0.00 0.00 177.93 179.08 1v95 n GLN 72 N -5.42 -0.06 0.04 2.45 7.27 -0.18 0.21 117.38 121.69 1v95 n GLN 72 Ca 0.08 1.35 -0.13 0.00 0.07 0.00 0.00 57.00 58.38 1v95 n GLN 72 Cb 0.37 -2.34 -0.08 0.00 2.41 0.00 0.00 30.24 30.59 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 1.09 0.00 1.69 2.04 0.16 -1.71 117.51 120.78 1v95 h ILE 73 Ca 0.75 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 66.15 1v95 h ILE 73 Cb 1.88 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1v95 h ILE 73 CO -0.78 0.12 0.00 1.41 0.00 0.00 0.00 178.15 178.89 1v95 n HIS 74 N -5.02 0.00 -1.98 1.37 8.25 0.46 -4.84 115.22 113.46 1v95 n HIS 74 Ca -0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.31 1v95 n HIS 74 Cb 0.14 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.09 -2.03 -4.36 -0.41 1.74 0.57 -4.88 116.66 106.20 1v95 n ARG 75 Ca 0.17 0.36 -0.23 0.00 -0.77 0.00 0.00 57.85 57.38 1v95 n ARG 75 Cb 0.12 -4.75 -0.11 0.00 -1.02 0.00 0.00 32.46 26.70 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 -1.85 2.89 0.36 0.55 1.04 -1.15 -4.37 113.70 111.18 1v95 s SER 76 Ca 0.00 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 55.58 1v95 s SER 76 Cb 0.00 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 1v95 s SER 76 CO 0.00 -0.01 0.07 0.00 0.98 0.00 0.00 173.24 174.29 1v95 s THR 78 N -3.23 3.37 -0.15 0.00 2.01 -1.17 -2.86 115.64 113.60 1v95 s THR 78 Ca 0.31 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.42 1v95 s THR 78 Cb 0.06 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1v95 s THR 78 CO 0.14 0.28 0.58 -0.69 -0.69 0.00 0.00 174.62 174.25 1v95 s VAL 79 N 1.44 5.09 -0.16 3.82 1.01 -0.96 -1.39 120.40 129.25 1v95 s VAL 79 Ca 0.03 1.14 -0.00 0.00 0.00 0.00 0.00 61.98 63.15 1v95 s VAL 79 Cb -0.16 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1v95 s VAL 79 CO -0.02 0.21 -0.08 0.20 0.00 0.00 0.00 175.10 175.40 1v95 s ASN 80 N 0.95 2.74 0.27 3.32 0.01 -0.74 -1.73 114.94 119.76 1v95 s ASN 80 Ca 0.29 -0.58 -0.21 0.00 -0.71 0.00 0.00 52.86 51.65 1v95 s ASN 80 Cb -0.16 -1.00 -0.09 0.00 0.41 0.00 0.00 41.25 40.41 1v95 s ASN 80 CO 0.12 -0.14 0.80 -0.63 -1.51 0.00 0.00 177.10 175.74 1v95 s ILE 81 N 1.58 4.46 -0.04 0.60 1.01 -1.16 -1.73 121.20 125.93 1v95 s ILE 81 Ca 0.02 1.43 0.09 0.00 0.00 0.00 0.00 60.65 62.19 1v95 s ILE 81 Cb -0.14 -3.87 -0.13 0.00 0.01 0.00 0.00 42.46 38.32 1v95 s ILE 81 CO -0.08 0.14 0.14 0.23 0.00 0.00 0.00 174.94 175.36 1v95 n MET 82 N 0.54 1.16 -4.06 2.79 2.81 0.50 -4.67 117.12 116.19 1v95 n MET 82 Ca -0.00 -0.05 -0.24 0.00 -1.81 0.00 0.00 57.70 55.60 1v95 n MET 82 Cb 0.51 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 31.76 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 -2.48 3.22 0.04 2.03 -0.12 -1.25 -5.01 117.98 114.40 1v95 s PHE 83 Ca -0.04 -0.04 0.00 0.00 -0.05 0.00 0.00 56.93 56.80 1v95 s PHE 83 Cb 0.05 -1.49 0.00 0.00 -0.63 0.00 0.00 43.02 40.94 1v95 s PHE 83 CO 0.37 0.51 0.00 0.41 -0.05 0.00 0.00 175.22 176.46 1v95 n GLY 84 N -0.85 -1.16 3.33 1.99 0.00 -1.26 -4.78 105.19 102.46 1v95 n GLY 84 Ca -0.08 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.05 0.86 -2.31 2.61 -1.04 -1.26 -4.74 114.28 106.36 1v95 n THR 85 Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 1v95 n THR 85 Cb 0.07 -0.09 -0.04 0.00 -1.82 0.00 0.00 70.33 68.45 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 -1.10 3.09 -0.30 -2.82 0.04 -1.26 -4.92 135.00 127.74 1v95 s PRO 86 Ca 0.60 -0.73 -0.06 0.00 0.04 0.00 0.00 61.00 60.85 1v95 s PRO 86 Cb -0.64 -5.22 0.02 0.00 0.04 0.00 0.00 34.50 28.70 1v95 s PRO 86 CO 0.62 -2.77 0.06 -0.65 0.04 0.00 0.00 177.00 174.30 1v95 s GLN 87 N 5.95 2.97 -0.32 4.56 -1.52 -1.26 -5.07 119.66 124.97 1v95 s GLN 87 Ca 0.58 -0.93 -0.03 0.00 -1.95 0.00 0.00 55.36 53.02 1v95 s GLN 87 Cb -0.03 -3.33 0.05 0.00 -0.22 0.00 0.00 33.01 29.48 1v95 s GLN 87 CO -0.05 -0.48 0.05 -2.00 -0.25 0.00 0.00 175.29 172.56 1v95 s GLU 88 N 1.45 2.46 -0.39 2.91 2.12 -1.26 -2.98 118.70 123.01 1v95 s GLU 88 Ca 0.01 -1.27 -0.17 0.00 0.36 0.00 0.00 54.97 53.90 1v95 s GLU 88 Cb -0.18 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.93 1v95 s GLU 88 CO 0.01 -0.66 0.46 -1.01 -0.54 0.00 0.00 175.26 173.52 1v95 s HIS 89 N 1.29 3.17 -0.09 5.30 3.76 -0.70 -5.05 115.29 122.96 1v95 s HIS 89 Ca -0.03 -0.15 -0.05 0.00 -0.15 0.00 0.00 55.06 54.68 1v95 s HIS 89 Cb -0.20 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 1v95 s HIS 89 CO 0.00 -0.62 0.10 1.03 -0.85 0.00 0.00 174.74 174.40 1v95 s ARG 90 N 2.24 3.29 -0.21 1.40 0.52 -1.26 -2.26 118.95 122.68 1v95 s ARG 90 Ca 0.14 -0.25 -0.02 0.00 -0.52 0.00 0.00 55.73 55.09 1v95 s ARG 90 Cb -0.16 -3.06 0.01 0.00 0.52 0.00 0.00 34.95 32.26 1v95 s ARG 90 CO 0.14 0.74 0.04 -1.71 0.02 0.00 0.00 175.30 174.53 1v95 n ASN 91 N 1.86 -6.41 -3.85 0.23 5.15 -1.26 -5.03 115.26 105.96 1v95 n ASN 91 Ca -0.18 1.18 -0.13 0.00 -0.60 0.00 0.00 54.58 54.85 1v95 n ASN 91 Cb 0.54 -4.32 -0.15 0.00 -0.53 0.00 0.00 39.78 35.32 1v95 n ASN 91 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1v95 s MET 92 N -1.24 0.04 0.37 1.20 -1.94 -1.14 -5.04 119.30 111.55 1v95 s MET 92 Ca -0.05 0.03 -0.25 0.00 -1.71 0.00 0.00 55.69 53.71 1v95 s MET 92 Cb 0.00 -0.11 -0.09 0.00 2.01 0.00 0.00 34.83 36.64 1v95 s MET 92 CO 0.58 -0.04 1.06 -1.25 -0.01 0.00 0.00 175.02 175.36 1v95 s PRO 93 N 0.29 4.26 0.00 2.03 0.04 -1.26 -2.99 135.00 137.36 1v95 s PRO 93 Ca -0.02 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1v95 s PRO 93 Cb -0.04 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1v95 s PRO 93 CO -0.01 -0.07 0.90 1.04 0.04 0.00 0.00 177.00 178.90 1v95 n GLN 94 N 0.19 0.00 -0.29 4.56 6.02 -1.26 0.74 117.38 127.34 1v95 n GLN 94 Ca 0.04 0.90 -0.08 0.00 -0.01 0.00 0.00 57.00 57.85 1v95 n GLN 94 Cb 0.49 -1.37 -0.07 0.00 1.02 0.00 0.00 30.24 30.30 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1v95 n ALA 95 N -2.74 -0.44 -0.12 -1.58 0.00 -1.26 0.12 120.51 114.50 1v95 n ALA 95 Ca 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 53.44 53.89 1v95 n ALA 95 Cb 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1v95 n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1v95 h ASP 96 N 0.00 -1.79 -0.65 0.00 5.19 -1.47 0.30 116.42 118.01 1v95 h ASP 96 Ca 0.11 0.24 0.14 0.00 -0.62 0.00 0.00 57.03 56.89 1v95 h ASP 96 Cb 0.28 0.73 -0.11 0.00 0.18 0.00 0.00 39.33 40.41 1v95 h ASP 96 CO -0.64 -0.41 -0.04 0.00 -3.12 0.00 0.00 179.24 175.03 1v95 h ALA 97 N -0.02 0.60 -0.11 3.45 0.00 0.44 1.29 119.26 124.91 1v95 h ALA 97 Ca 0.08 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1v95 h ALA 97 Cb 0.61 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1v95 h ALA 97 CO -0.57 -0.41 0.10 0.52 0.00 0.00 0.00 179.25 178.90 1v95 h MET 98 N 0.09 0.00 0.07 0.00 2.86 0.37 0.71 114.93 119.03 1v95 h MET 98 Ca 0.34 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.76 1v95 h MET 98 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1v95 h MET 98 CO -0.58 0.00 -1.12 -0.24 1.06 0.00 0.00 176.91 176.03 1v95 h VAL 99 N 0.00 1.15 0.00 -2.22 3.04 0.45 -0.57 116.25 118.11 1v95 h VAL 99 Ca 0.05 -2.35 -0.03 0.00 -1.01 0.00 0.00 66.70 63.36 1v95 h VAL 99 Cb 0.26 2.74 -0.00 0.00 -2.01 0.00 0.00 31.29 32.28 1v95 h VAL 99 CO -0.00 0.60 -0.13 0.25 -1.01 0.00 0.00 177.57 177.29 1v95 h LEU 100 N -0.57 0.00 0.04 3.16 6.46 0.19 1.10 115.31 125.69 1v95 h LEU 100 Ca -0.26 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.36 1v95 h LEU 100 Cb 1.53 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.45 1v95 h LEU 100 CO -0.00 0.13 -0.73 1.62 -0.62 0.00 0.00 178.44 178.83 1v95 h VAL 101 N 0.00 1.36 -0.08 1.05 3.04 0.32 -1.91 116.25 120.03 1v95 h VAL 101 Ca -0.00 -2.33 -0.04 0.00 -1.01 0.00 0.00 66.70 63.32 1v95 h VAL 101 Cb 0.25 2.90 -0.01 0.00 -2.01 0.00 0.00 31.29 32.42 1v95 h VAL 101 CO 0.02 0.55 -0.13 0.00 -1.01 0.00 0.00 177.57 177.01 1v95 h ALA 102 N -0.14 1.64 0.23 3.17 0.00 -0.78 0.53 119.26 123.91 1v95 h ALA 102 Ca -0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1v95 h ALA 102 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1v95 h ALA 102 CO -0.03 0.26 -0.11 0.00 0.00 0.00 0.00 179.25 179.37 1v95 h ARG 103 N 0.12 -0.30 0.06 0.00 2.47 0.12 -2.98 114.38 113.87 1v95 h ARG 103 Ca 0.03 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.78 1v95 h ARG 103 Cb 0.30 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.66 1v95 h ARG 103 CO 0.02 -0.10 -0.16 -0.91 0.56 0.00 0.00 179.97 179.37 1v95 h ASN 104 N -1.05 -0.47 -0.87 7.04 2.35 -1.25 -2.55 115.58 118.79 1v95 h ASN 104 Ca -0.03 0.06 0.14 0.00 -0.55 0.00 0.00 56.30 55.92 1v95 h ASN 104 Cb 0.33 0.18 -0.15 0.00 0.05 0.00 0.00 38.32 38.74 1v95 h ASN 104 CO 0.05 -0.23 -0.35 0.22 -1.65 0.00 0.00 177.43 175.47 1v95 h TYR 105 N -0.30 -0.95 -0.33 1.19 3.20 -0.06 -0.33 116.97 119.37 1v95 h TYR 105 Ca 0.03 0.09 0.04 0.00 3.14 0.00 0.00 58.73 62.03 1v95 h TYR 105 Cb 0.34 0.55 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 1v95 h TYR 105 CO -0.19 -0.40 -0.33 0.93 -1.64 0.00 0.00 178.16 176.53 1v95 h GLU 106 N -0.05 -0.16 -0.12 1.82 4.39 -1.29 0.24 114.58 119.41 1v95 h GLU 106 Ca 0.33 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.07 1v95 h GLU 106 Cb 0.59 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 1v95 h GLU 106 CO -0.89 -0.11 -0.50 -0.09 -1.16 0.00 0.00 179.01 176.26 1v95 h ARG 107 N -0.17 -0.51 -1.43 2.33 1.12 -1.06 0.35 114.38 115.01 1v95 h ARG 107 Ca 0.06 0.04 0.42 0.00 -1.11 0.00 0.00 59.98 59.38 1v95 h ARG 107 Cb 0.32 0.12 -0.07 0.00 -0.01 0.00 0.00 29.97 30.33 1v95 h ARG 107 CO -0.40 -0.34 1.01 -0.92 -3.11 0.00 0.00 179.97 176.21 1v95 h TYR 108 N -0.53 0.09 0.09 2.20 5.03 -0.41 1.26 116.97 124.71 1v95 h TYR 108 Ca 0.03 0.00 -0.28 0.00 2.58 0.00 0.00 58.73 61.07 1v95 h TYR 108 Cb 0.62 -0.02 0.03 0.00 1.55 0.00 0.00 36.73 38.90 1v95 h TYR 108 CO -0.57 -0.01 -1.13 -0.22 -1.32 0.00 0.00 178.16 174.90 1v95 h LYS 109 N 0.04 0.61 -0.95 1.82 3.64 0.30 -1.11 116.57 120.91 1v95 h LYS 109 Ca 0.70 -0.78 0.25 0.00 -1.27 0.00 0.00 60.65 59.56 1v95 h LYS 109 Cb 2.70 0.25 -0.13 0.00 -0.41 0.00 0.00 32.23 34.63 1v95 h LYS 109 CO -0.06 1.34 0.48 -0.91 -2.27 0.00 0.00 179.45 178.03 1v95 h ASN 110 N 0.23 0.44 0.99 4.20 2.35 0.46 0.83 115.58 125.07 1v95 h ASN 110 Ca -0.17 0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 1v95 h ASN 110 Cb 1.82 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 40.28 1v95 h ASN 110 CO 0.22 -0.02 -1.08 -0.08 -1.65 0.00 0.00 177.43 174.82 1v95 h GLU 111 N 0.42 0.00 0.38 0.81 4.81 -1.47 -3.36 114.58 116.17 1v95 h GLU 111 Ca 0.62 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.84 1v95 h GLU 111 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1v95 h GLU 111 CO -0.54 0.28 -0.18 0.00 -0.73 0.00 0.00 179.01 177.84 1v95 h ARG 113 N -0.74 0.00 -0.01 0.00 1.12 0.01 1.22 114.38 115.98 1v95 h ARG 113 Ca -0.05 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.56 1v95 h ARG 113 Cb 0.51 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.49 1v95 h ARG 113 CO 0.09 0.00 -1.02 1.49 -3.11 0.00 0.00 179.97 177.42 1v95 h GLU 114 N 0.00 0.71 -2.30 0.20 4.81 -1.52 -3.31 114.58 113.16 1v95 h GLU 114 Ca 0.29 -0.75 -0.79 0.00 -0.13 0.00 0.00 59.36 57.97 1v95 h GLU 114 Cb 1.84 0.21 -0.24 0.00 0.63 0.00 0.00 28.75 31.18 1v95 h GLU 114 CO -0.00 1.32 1.27 0.36 -0.73 0.00 0.00 179.01 181.23 1v95 n LYS 115 N -3.87 5.20 -3.63 1.92 2.85 0.42 -4.90 118.16 116.15 1v95 n LYS 115 Ca -0.11 -4.41 -0.03 0.00 -1.05 0.00 0.00 58.31 52.72 1v95 n LYS 115 Cb 0.87 -2.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.73 1v95 n LYS 115 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1v95 s GLU 116 N -3.77 0.11 -0.37 -1.58 -1.05 -1.18 -4.95 118.70 105.91 1v95 s GLU 116 Ca 0.42 -0.02 -0.36 0.00 -0.15 0.00 0.00 54.97 54.86 1v95 s GLU 116 Cb 0.20 0.05 -0.16 0.00 -0.44 0.00 0.00 34.13 33.78 1v95 s GLU 116 CO -0.13 -0.04 1.23 0.54 0.95 0.00 0.00 175.26 177.80 1v95 n ARG 117 N 0.16 0.00 -1.05 -4.83 5.12 -1.26 -4.76 116.66 110.03 1v95 n ARG 117 Ca 0.02 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.58 1v95 n ARG 117 Cb 0.57 -1.16 0.06 0.00 -1.16 0.00 0.00 32.46 30.77 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 3.03 -0.00 -1.64 5.56 2.13 -1.26 -4.88 120.64 123.58 1v95 n GLU 118 Ca 0.24 0.02 -0.30 0.00 0.66 0.00 0.00 57.16 57.77 1v95 n GLU 118 Cb -0.04 -1.32 0.05 0.00 0.27 0.00 0.00 31.44 30.40 1v95 n GLU 118 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1v95 n GLU 119 N 0.91 3.10 -1.42 5.31 0.28 -1.26 -5.01 120.64 122.55 1v95 n GLU 119 Ca 0.04 -3.68 -0.47 0.00 -0.16 0.00 0.00 57.16 52.88 1v95 n GLU 119 Cb 0.53 -2.29 -0.14 0.00 1.43 0.00 0.00 31.44 30.98 1v95 n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1v95 n ILE 120 N -0.82 0.00 -2.67 3.84 5.41 -1.26 -4.62 119.36 119.24 1v95 n ILE 120 Ca 0.55 -0.02 -0.04 0.00 1.00 0.00 0.00 62.75 64.24 1v95 n ILE 120 Cb 0.79 -0.56 0.10 0.00 -0.71 0.00 0.00 39.64 39.26 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 9.59 -2.71 -1.93 -1.39 0.00 -1.26 -5.14 120.51 117.66 1v95 n ALA 121 Ca 0.61 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1v95 n ALA 121 Cb 0.02 -2.65 -0.04 0.00 0.00 0.00 0.00 19.45 16.78 1v95 n ALA 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1v95 s ARG 122 N 0.07 4.57 0.43 0.00 1.70 -1.26 -4.81 118.95 119.65 1v95 s ARG 122 Ca 0.19 1.82 0.00 0.00 -0.47 0.00 0.00 55.73 57.27 1v95 s ARG 122 Cb 0.28 -3.22 0.00 0.00 -0.57 0.00 0.00 34.95 31.43 1v95 s ARG 122 CO -0.17 0.06 0.00 0.94 -1.08 0.00 0.00 175.30 175.06 1v95 n GLN 123 N 1.91 0.00 -3.85 3.89 0.00 -1.26 -5.17 117.38 112.90 1v95 n GLN 123 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.03 1v95 n GLN 123 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.70 1v95 n GLN 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v95 s ALA 124 N -2.00 -2.19 0.23 1.69 0.00 -1.26 -5.19 121.76 113.04 1v95 s ALA 124 Ca 0.00 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.91 1v95 s ALA 124 Cb 0.00 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.86 1v95 s ALA 124 CO 0.00 -1.10 0.65 -1.54 0.00 0.00 0.00 175.76 173.77 1v95 s SER 125 N -3.45 -0.35 -0.21 0.00 1.04 -1.26 -5.18 113.70 104.29 1v95 s SER 125 Ca 0.23 -0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.10 1v95 s SER 125 Cb 0.01 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.86 1v95 s SER 125 CO -0.00 -1.19 0.53 -0.83 0.98 0.00 0.00 173.24 172.72 1v95 s GLY 126 N -2.86 -0.43 1.10 7.32 0.00 -1.26 -5.17 107.32 106.02 1v95 s GLY 126 Ca 0.08 1.76 -0.18 0.00 0.00 0.00 0.00 44.72 46.37 1v95 s GLY 126 CO -0.00 1.73 1.23 2.56 0.00 0.00 0.00 173.10 178.62 1v95 s PRO 127 N 1.05 -0.48 0.25 2.90 0.04 -1.26 -5.04 135.00 132.46 1v95 s PRO 127 Ca -0.06 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1v95 s PRO 127 Cb -0.06 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1v95 s PRO 127 CO -0.10 -3.18 0.00 0.45 0.04 0.00 0.00 177.00 174.22 1v95 n SER 128 N -4.33 -0.10 -4.89 6.66 2.88 -1.26 -5.11 113.62 107.47 1v95 n SER 128 Ca 0.15 0.42 -0.29 0.00 -1.33 0.00 0.00 58.87 57.82 1v95 n SER 128 Cb 0.59 0.33 -0.03 0.00 -0.75 0.00 0.00 64.21 64.36 1v95 n SER 128 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v95 s SER 129 N -5.05 6.45 0.00 -3.46 0.15 -1.26 -5.40 113.70 105.13 1v95 s SER 129 Ca 0.00 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1v95 s SER 129 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1v95 s SER 129 CO 0.00 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.68