#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v95 n SER 2 N 0.00 -8.61 -4.85 1.61 7.64 -1.26 -4.91 113.62 103.24 1v95 n SER 2 Ca 0.00 1.53 -0.34 0.00 1.01 0.00 0.00 58.87 61.06 1v95 n SER 2 Cb 0.00 -4.98 -0.06 0.00 -1.01 0.00 0.00 64.21 58.17 1v95 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v95 s SER 3 N -4.29 6.75 0.31 6.43 1.04 -1.26 -5.08 113.70 117.60 1v95 s SER 3 Ca 0.00 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1v95 s SER 3 Cb 0.00 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1v95 s SER 3 CO 0.00 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1v95 n GLY 4 N 0.64 -2.78 3.55 7.32 0.00 -1.26 -4.68 105.19 107.98 1v95 n GLY 4 Ca -0.05 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 1v95 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v95 s SER 5 N -2.04 4.93 -0.45 1.61 0.15 -1.26 -4.80 113.70 111.83 1v95 s SER 5 Ca 0.00 0.51 0.06 0.00 0.70 0.00 0.00 55.95 57.22 1v95 s SER 5 Cb 0.00 -2.52 0.21 0.00 -1.71 0.00 0.00 66.02 61.99 1v95 s SER 5 CO 0.00 -2.63 0.60 -0.24 1.20 0.00 0.00 173.24 172.17 1v95 n SER 6 N 14.13 -1.69 0.00 5.45 2.88 -1.26 -5.12 113.62 128.01 1v95 n SER 6 Ca 0.28 -2.79 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 1v95 n SER 6 Cb 0.52 0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.56 1v95 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v95 n GLY 7 N 2.31 1.94 2.15 0.46 0.00 -1.26 -5.00 105.19 105.78 1v95 n GLY 7 Ca 0.20 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1v95 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v95 n PRO 8 N -0.45 1.57 -1.55 1.61 -0.04 -1.26 -4.86 135.00 130.01 1v95 n PRO 8 Ca 0.00 -0.80 0.03 0.00 -0.04 0.00 0.00 63.50 62.69 1v95 n PRO 8 Cb 0.00 -1.91 -0.02 0.00 -0.04 0.00 0.00 33.50 31.53 1v95 n PRO 8 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1v95 n VAL 9 N 2.70 -2.47 -0.09 0.52 0.31 -1.26 -1.12 118.33 116.91 1v95 n VAL 9 Ca 0.34 1.32 -0.10 0.00 -0.01 0.00 0.00 64.34 65.89 1v95 n VAL 9 Cb 0.66 -2.18 -0.13 0.00 -0.91 0.00 0.00 33.84 31.29 1v95 n VAL 9 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1v95 n ASP 10 N -2.93 1.18 -3.43 4.52 8.00 0.52 -3.88 116.55 120.53 1v95 n ASP 10 Ca -0.02 -0.03 -0.21 0.00 0.71 0.00 0.00 54.79 55.25 1v95 n ASP 10 Cb 0.51 0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 42.13 1v95 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v95 s SER 12 N 2.00 7.05 -0.32 0.00 1.04 -0.79 -3.01 113.70 119.67 1v95 s SER 12 Ca 0.12 1.31 -0.22 0.00 0.48 0.00 0.00 55.95 57.63 1v95 s SER 12 Cb -0.16 -2.51 -0.00 0.00 0.10 0.00 0.00 66.02 63.46 1v95 s SER 12 CO -0.25 -0.55 0.74 -0.69 0.98 0.00 0.00 173.24 173.48 1v95 s VAL 13 N 2.70 4.82 -0.46 5.02 1.01 0.45 0.11 120.40 134.05 1v95 s VAL 13 Ca 0.42 1.03 -0.15 0.00 0.00 0.00 0.00 61.98 63.27 1v95 s VAL 13 Cb -0.16 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.17 1v95 s VAL 13 CO 0.10 -0.26 0.38 -0.63 0.00 0.00 0.00 175.10 174.69 1v95 s ILE 14 N 2.88 5.21 -0.52 2.22 -1.09 0.46 -0.28 121.20 130.09 1v95 s ILE 14 Ca 0.30 -1.02 -0.05 0.00 -2.23 0.00 0.00 60.65 57.65 1v95 s ILE 14 Cb -0.14 -4.09 0.14 0.00 -1.58 0.00 0.00 42.46 36.78 1v95 s ILE 14 CO 0.13 -0.54 0.34 0.54 -1.23 0.00 0.00 174.94 174.18 1v95 s VAL 15 N 1.64 3.72 -1.51 2.92 0.11 -0.61 0.11 120.40 126.78 1v95 s VAL 15 Ca 0.04 -2.37 -0.12 0.00 -2.93 0.00 0.00 61.98 56.60 1v95 s VAL 15 Cb -0.24 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.15 1v95 s VAL 15 CO 0.07 -0.79 2.49 1.33 -3.33 0.00 0.00 175.10 174.86 1v95 n VAL 16 N 4.21 3.85 0.00 2.04 0.24 -1.06 -2.36 118.33 125.25 1v95 n VAL 16 Ca 0.01 -2.95 0.00 0.00 -2.04 0.00 0.00 64.34 59.37 1v95 n VAL 16 Cb 0.40 -2.59 0.00 0.00 -1.47 0.00 0.00 33.84 30.18 1v95 n VAL 16 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1v95 n ASN 17 N 4.99 0.00 0.10 -1.34 3.02 -1.26 -4.25 115.26 116.52 1v95 n ASN 17 Ca 0.61 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 55.37 1v95 n ASN 17 Cb 0.33 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.22 1v95 n ASN 17 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1v95 h LYS 18 N 0.00 0.00 0.00 3.52 1.79 -1.90 -3.41 116.57 116.58 1v95 h LYS 18 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1v95 h LYS 18 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1v95 h LYS 18 CO 0.00 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.41 1v95 n GLN 19 N -3.56 0.20 -2.35 3.15 1.13 -1.26 -3.99 117.38 110.70 1v95 n GLN 19 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1v95 n GLN 19 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.01 1v95 n GLN 19 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1v95 n THR 20 N -1.30 0.00 0.40 5.09 -2.24 -1.26 -4.75 114.28 110.21 1v95 n THR 20 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1v95 n THR 20 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.00 -1.00 0.26 -0.78 3.64 -1.83 0.33 116.57 117.19 1v95 h LYS 21 Ca 0.00 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1v95 h LYS 21 Cb 0.90 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1v95 h LYS 21 CO 0.00 -0.65 -0.13 -0.44 -2.27 0.00 0.00 179.45 175.96 1v95 h ASP 22 N -1.22 -0.30 -0.16 4.20 3.32 -1.92 0.29 116.42 120.63 1v95 h ASP 22 Ca -0.11 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1v95 h ASP 22 Cb 0.81 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.36 1v95 h ASP 22 CO 0.17 -0.21 -0.42 0.22 -1.72 0.00 0.00 179.24 177.28 1v95 h TYR 23 N -0.36 -1.21 -0.85 4.55 5.03 -1.93 0.72 116.97 122.92 1v95 h TYR 23 Ca -0.04 0.05 0.05 0.00 2.58 0.00 0.00 58.73 61.37 1v95 h TYR 23 Cb 0.28 0.55 -0.05 0.00 1.55 0.00 0.00 36.73 39.06 1v95 h TYR 23 CO -0.06 -0.47 0.55 0.00 -1.32 0.00 0.00 178.16 176.86 1v95 h ALA 24 N 0.14 1.51 0.00 1.82 0.00 -0.22 0.40 119.26 122.92 1v95 h ALA 24 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1v95 h ALA 24 Cb 0.62 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1v95 h ALA 24 CO -0.42 0.39 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1v95 n GLU 25 N -4.46 0.01 0.00 0.00 1.02 1.00 -2.06 120.64 116.15 1v95 n GLU 25 Ca 0.12 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1v95 n GLU 25 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1v95 n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1v95 n SER 26 N -1.49 0.00 -0.48 1.62 2.88 0.14 -3.27 113.62 113.01 1v95 n SER 26 Ca 0.02 0.21 0.43 0.00 -1.33 0.00 0.00 58.87 58.20 1v95 n SER 26 Cb 0.10 -0.49 0.75 0.00 -0.75 0.00 0.00 64.21 63.82 1v95 n SER 26 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1v95 h VAL 27 N 0.00 0.15 -0.14 2.46 3.04 -1.44 1.73 116.25 122.06 1v95 h VAL 27 Ca 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.55 1v95 h VAL 27 Cb 0.00 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.44 1v95 h VAL 27 CO 0.00 0.00 -0.47 1.23 -1.01 0.00 0.00 177.57 177.32 1v95 h GLY 28 N 0.00 0.61 1.07 3.17 0.00 -1.59 -3.20 103.07 103.14 1v95 h GLY 28 Ca 0.73 -0.81 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 1v95 h GLY 28 CO -0.01 0.72 -0.35 0.07 0.00 0.00 0.00 176.54 176.97 1v95 h ARG 29 N 0.18 0.85 -0.94 4.80 0.11 0.24 -2.98 114.38 116.65 1v95 h ARG 29 Ca -0.02 -0.45 0.26 0.00 0.10 0.00 0.00 59.98 59.87 1v95 h ARG 29 Cb 1.10 0.02 -0.14 0.00 1.11 0.00 0.00 29.97 32.05 1v95 h ARG 29 CO 0.10 1.09 0.41 0.87 0.10 0.00 0.00 179.97 182.55 1v95 h LYS 30 N 0.64 0.31 -0.31 0.08 6.56 -0.61 1.62 116.57 124.87 1v95 h LYS 30 Ca 0.05 -0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.53 1v95 h LYS 30 Cb 0.94 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.52 1v95 h LYS 30 CO 0.09 0.21 -0.21 0.28 -2.06 0.00 0.00 179.45 177.76 1v95 h VAL 31 N 0.32 1.26 -0.10 0.50 2.07 -1.52 -2.30 116.25 116.49 1v95 h VAL 31 Ca 0.62 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1v95 h VAL 31 Cb 1.30 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1v95 h VAL 31 CO -0.60 0.40 -0.16 0.03 0.02 0.00 0.00 177.57 177.26 1v95 h ARG 32 N 0.52 0.15 0.00 1.57 3.08 0.23 -0.74 114.38 119.20 1v95 h ARG 32 Ca 0.08 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1v95 h ARG 32 Cb 0.65 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1v95 h ARG 32 CO 0.05 0.32 -0.01 0.22 -1.07 0.00 0.00 179.97 179.48 1v95 h ASP 33 N 0.15 0.00 0.59 7.04 3.58 -0.27 0.47 116.42 127.98 1v95 h ASP 33 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1v95 h ASP 33 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1v95 h ASP 33 CO 0.02 0.01 -0.48 0.18 -2.88 0.00 0.00 179.24 176.09 1v95 n LEU 34 N -3.23 0.49 -0.07 2.28 4.77 -0.30 -4.92 117.00 116.02 1v95 n LEU 34 Ca -0.02 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1v95 n LEU 34 Cb 0.12 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1v95 n LEU 34 CO 0.23 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1v95 n GLY 35 N 1.48 1.26 3.27 -0.72 0.00 0.17 -5.10 105.19 105.55 1v95 n GLY 35 Ca 0.05 -0.18 -0.32 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 -1.42 2.57 0.03 1.61 1.00 -1.12 -5.01 119.30 116.96 1v95 s MET 36 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 55.69 54.49 1v95 s MET 36 Cb 0.00 -2.17 -0.07 0.00 0.00 0.00 0.00 34.83 32.58 1v95 s MET 36 CO 0.00 0.38 1.66 0.08 0.00 0.00 0.00 175.02 177.14 1v95 s VAL 37 N -0.16 3.25 0.07 -6.03 1.01 -1.26 -3.43 120.40 113.85 1v95 s VAL 37 Ca -0.04 0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1v95 s VAL 37 Cb -0.14 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1v95 s VAL 37 CO 0.04 -0.02 -0.16 -0.69 0.00 0.00 0.00 175.10 174.27 1v95 s VAL 38 N 3.18 1.29 0.17 2.92 1.01 -1.26 0.19 120.40 127.91 1v95 s VAL 38 Ca 0.74 -1.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1v95 s VAL 38 Cb -0.37 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1v95 s VAL 38 CO 0.32 -0.12 0.20 -0.62 0.00 0.00 0.00 175.10 174.88 1v95 s ASP 39 N -1.64 0.13 -0.11 3.32 2.15 -1.16 -4.98 116.67 114.38 1v95 s ASP 39 Ca 0.01 -1.11 0.04 0.00 0.43 0.00 0.00 52.55 51.92 1v95 s ASP 39 Cb -0.10 0.40 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 1v95 s ASP 39 CO 0.03 -0.86 -0.23 -0.76 -0.17 0.00 0.00 175.17 173.17 1v95 s LEU 40 N -3.05 2.11 -0.29 -1.34 1.02 -1.26 -0.41 118.68 115.46 1v95 s LEU 40 Ca 0.26 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.87 1v95 s LEU 40 Cb 0.05 -1.42 0.07 0.00 0.02 0.00 0.00 46.19 44.91 1v95 s LEU 40 CO 0.05 0.15 -0.05 -0.63 0.02 0.00 0.00 176.35 175.88 1v95 s ILE 41 N 0.43 2.36 -0.18 -0.59 1.01 0.62 -4.95 121.20 119.88 1v95 s ILE 41 Ca -0.17 -1.74 -0.20 0.00 0.00 0.00 0.00 60.65 58.55 1v95 s ILE 41 Cb -0.18 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1v95 s ILE 41 CO 0.07 -0.16 0.57 -0.36 0.00 0.00 0.00 174.94 175.06 1v95 s PHE 42 N 1.09 3.40 0.01 3.97 0.08 -1.26 -1.57 117.98 123.70 1v95 s PHE 42 Ca -0.04 0.87 -0.02 0.00 0.12 0.00 0.00 56.93 57.86 1v95 s PHE 42 Cb -0.20 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.53 1v95 s PHE 42 CO -0.05 -0.10 -0.03 1.28 -0.10 0.00 0.00 175.22 176.22 1v95 n LEU 43 N 4.74 0.53 0.00 -0.37 4.77 -0.99 -4.92 117.00 120.76 1v95 n LEU 43 Ca -0.03 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1v95 n LEU 43 Cb 0.50 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1v95 n LEU 43 CO 0.43 -0.56 0.00 -3.20 -1.33 0.00 0.00 177.39 172.73 1v95 n ASN 44 N -3.00 0.00 -1.42 -1.43 2.85 -1.26 -0.98 115.26 110.03 1v95 n ASN 44 Ca -0.01 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.34 1v95 n ASN 44 Cb 0.05 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.18 1v95 n ASN 44 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1v95 n THR 45 N 0.00 2.44 -3.96 -0.44 -1.04 -1.26 -4.66 114.28 105.35 1v95 n THR 45 Ca 0.00 -3.71 -0.34 0.00 -2.04 0.00 0.00 64.05 57.96 1v95 n THR 45 Cb 0.00 -0.74 -0.14 0.00 -1.82 0.00 0.00 70.33 67.63 1v95 n THR 45 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1v95 s GLU 46 N -3.44 2.50 0.47 -2.82 8.01 -0.15 -5.05 118.70 118.22 1v95 s GLU 46 Ca 0.46 -1.21 0.00 0.00 0.01 0.00 0.00 54.97 54.23 1v95 s GLU 46 Cb 0.40 -3.06 0.00 0.00 -4.31 0.00 0.00 34.13 27.16 1v95 s GLU 46 CO -0.01 -0.55 0.00 0.28 0.01 0.00 0.00 175.26 174.99 1v95 n VAL 47 N 4.59 0.00 -4.27 2.63 0.31 -1.26 -4.69 118.33 115.65 1v95 n VAL 47 Ca -0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.94 1v95 n VAL 47 Cb 0.44 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.29 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 -4.00 4.31 0.09 4.52 0.15 -1.26 -4.99 113.70 112.52 1v95 s SER 48 Ca 0.00 -0.97 -0.24 0.00 0.70 0.00 0.00 55.95 55.44 1v95 s SER 48 Cb 0.00 -0.56 -0.15 0.00 -1.71 0.00 0.00 66.02 63.59 1v95 s SER 48 CO 0.00 -0.30 1.73 0.25 1.20 0.00 0.00 173.24 176.12 1v95 h LEU 49 N 1.70 -0.09 -0.80 3.45 6.46 -2.00 -2.50 115.31 121.54 1v95 h LEU 49 Ca -0.43 0.00 0.18 0.00 -0.12 0.00 0.00 57.88 57.52 1v95 h LEU 49 Cb 1.25 0.02 -0.14 0.00 -0.73 0.00 0.00 40.66 41.06 1v95 h LEU 49 CO 0.67 -0.06 -0.01 0.77 -0.62 0.00 0.00 178.44 179.19 1v95 h SER 50 N -0.10 -0.41 -1.56 1.25 4.64 -1.98 1.02 113.55 116.41 1v95 h SER 50 Ca -0.01 0.21 0.46 0.00 -0.47 0.00 0.00 61.79 61.98 1v95 h SER 50 Cb 0.08 0.38 -0.08 0.00 -0.31 0.00 0.00 62.40 62.47 1v95 h SER 50 CO 0.02 -0.21 1.10 -0.61 -0.87 0.00 0.00 176.83 176.25 1v95 h GLN 51 N 0.08 0.03 0.12 4.77 5.75 -1.85 1.34 115.11 125.35 1v95 h GLN 51 Ca 0.44 -0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.71 1v95 h GLN 51 Cb 0.78 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.33 1v95 h GLN 51 CO -0.72 0.02 -1.09 0.00 -2.65 0.00 0.00 178.83 174.39 1v95 h ALA 52 N 1.28 0.05 -0.96 3.38 0.00 1.00 -3.15 119.26 120.85 1v95 h ALA 52 Ca 0.78 -0.89 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1v95 h ALA 52 Cb 2.96 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 21.00 1v95 h ALA 52 CO -0.10 0.59 0.64 -0.07 0.00 0.00 0.00 179.25 180.31 1v95 h LEU 53 N -0.37 1.11 -1.91 0.00 3.38 0.17 0.37 115.31 118.06 1v95 h LEU 53 Ca -0.22 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1v95 h LEU 53 Cb 1.68 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1v95 h LEU 53 CO 0.09 0.80 -0.11 -0.08 0.09 0.00 0.00 178.44 179.23 1v95 h GLU 54 N 1.30 0.00 0.00 1.13 4.81 0.11 -1.31 114.58 120.63 1v95 h GLU 54 Ca 0.35 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1v95 h GLU 54 Cb -0.15 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1v95 h GLU 54 CO -0.08 0.11 -1.35 0.22 -0.73 0.00 0.00 179.01 177.18 1v95 h ASP 55 N 0.00 0.00 0.72 1.04 1.82 -0.87 -3.12 116.42 116.01 1v95 h ASP 55 Ca -0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 1v95 h ASP 55 Cb 0.34 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.36 1v95 h ASP 55 CO 0.01 0.60 -0.34 0.58 -1.61 0.00 0.00 179.24 178.48 1v95 h VAL 56 N 0.00 0.00 0.47 2.25 2.07 0.75 1.38 116.25 123.18 1v95 h VAL 56 Ca -0.16 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1v95 h VAL 56 Cb 1.60 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1v95 h VAL 56 CO 0.05 0.00 -0.41 -1.28 0.02 0.00 0.00 177.57 175.95 1v95 h SER 57 N -1.18 -1.10 -0.71 0.57 0.87 -1.48 0.49 113.55 111.01 1v95 h SER 57 Ca -0.10 0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1v95 h SER 57 Cb 0.74 0.36 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 1v95 h SER 57 CO 0.16 -0.58 0.47 0.08 -0.53 0.00 0.00 176.83 176.43 1v95 h ARG 58 N -0.88 0.79 -0.14 2.24 0.11 -1.62 -0.53 114.38 114.35 1v95 h ARG 58 Ca -0.05 -0.05 -0.09 0.00 0.10 0.00 0.00 59.98 59.90 1v95 h ARG 58 Cb 0.76 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 1v95 h ARG 58 CO -0.03 0.53 -0.30 0.78 0.10 0.00 0.00 179.97 181.05 1v95 h GLY 59 N 0.82 0.30 0.00 0.08 0.00 0.26 -3.47 103.07 101.05 1v95 h GLY 59 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1v95 h GLY 59 CO -0.09 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.28 1v95 n GLY 60 N -0.43 3.88 2.70 4.60 0.00 0.16 -4.65 105.19 111.46 1v95 n GLY 60 Ca -0.01 -0.86 -0.50 0.00 0.00 0.00 0.00 46.02 44.66 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 0.74 0.02 1.61 7.64 -0.28 -4.79 113.62 118.55 1v95 n SER 61 Ca 0.00 0.70 -0.19 0.00 1.01 0.00 0.00 58.87 60.39 1v95 n SER 61 Cb 0.00 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.42 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 5.75 0.72 -6.44 1.43 0.13 -1.74 -3.31 132.00 128.53 1v95 h PRO 62 Ca -0.19 -0.70 -0.63 0.00 -0.87 0.00 0.00 66.00 63.61 1v95 h PRO 62 Cb 1.09 0.18 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1v95 h PRO 62 CO 0.82 1.29 -0.70 -0.06 -0.23 0.00 0.00 178.00 179.11 1v95 s PHE 63 N -3.48 2.76 -0.08 1.56 0.08 -1.10 0.18 117.98 117.89 1v95 s PHE 63 Ca -0.10 -0.16 -0.05 0.00 0.12 0.00 0.00 56.93 56.75 1v95 s PHE 63 Cb 0.08 -1.38 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1v95 s PHE 63 CO 0.91 0.48 0.19 0.00 -0.10 0.00 0.00 175.22 176.71 1v95 s ALA 64 N -1.52 -0.43 -0.08 5.36 0.00 -0.51 -1.89 121.76 122.70 1v95 s ALA 64 Ca 0.25 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 1v95 s ALA 64 Cb -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1v95 s ALA 64 CO 0.16 -0.16 0.18 0.42 0.00 0.00 0.00 175.76 176.36 1v95 s ILE 65 N 0.96 5.44 -0.18 0.00 1.01 0.30 -1.60 121.20 127.13 1v95 s ILE 65 Ca -0.07 0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.71 1v95 s ILE 65 Cb -0.09 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1v95 s ILE 65 CO -0.06 0.54 0.01 0.54 0.00 0.00 0.00 174.94 175.97 1v95 s VAL 66 N -1.12 4.20 -0.04 2.92 0.11 -0.90 0.18 120.40 125.75 1v95 s VAL 66 Ca 0.19 -0.24 0.05 0.00 -2.93 0.00 0.00 61.98 59.05 1v95 s VAL 66 Cb -0.13 -2.88 -0.01 0.00 -1.53 0.00 0.00 36.38 31.84 1v95 s VAL 66 CO 0.09 0.45 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.51 1v95 s ILE 67 N 0.64 1.42 0.00 7.04 -1.09 0.30 -3.40 121.20 126.11 1v95 s ILE 67 Ca 0.00 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1v95 s ILE 67 Cb -0.14 -1.21 0.00 0.00 -1.58 0.00 0.00 42.46 39.53 1v95 s ILE 67 CO 0.02 0.41 0.00 0.35 -1.23 0.00 0.00 174.94 174.49 1v95 n THR 68 N 3.02 0.00 -0.05 2.92 -2.24 -1.26 -2.55 114.28 114.12 1v95 n THR 68 Ca -0.17 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 1v95 n THR 68 Cb 0.53 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 1v95 n THR 68 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1v95 h GLN 69 N 0.00 0.00 -0.80 -0.78 4.20 -1.99 -3.35 115.11 112.39 1v95 h GLN 69 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1v95 h GLN 69 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 1v95 h GLN 69 CO 0.00 0.00 0.43 0.37 -0.67 0.00 0.00 178.83 178.96 1v95 h GLN 70 N -0.72 0.67 -0.92 1.46 4.15 -1.99 0.25 115.11 118.02 1v95 h GLN 70 Ca 0.00 -0.04 0.26 0.00 0.77 0.00 0.00 58.65 59.64 1v95 h GLN 70 Cb 0.34 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1v95 h GLN 70 CO 0.00 0.44 0.65 0.45 -1.93 0.00 0.00 178.83 178.45 1v95 h HIS 71 N 0.69 0.06 -0.12 3.99 3.86 -1.78 0.28 115.15 122.14 1v95 h HIS 71 Ca 0.40 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.58 1v95 h HIS 71 Cb 0.44 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 1v95 h HIS 71 CO -0.08 0.01 -0.05 0.37 0.86 0.00 0.00 177.93 179.03 1v95 h GLN 72 N 0.04 0.24 -0.04 2.45 4.15 -0.62 1.34 115.11 122.68 1v95 h GLN 72 Ca 0.44 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1v95 h GLN 72 Cb 1.70 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.38 1v95 h GLN 72 CO -0.03 0.58 0.02 0.82 -1.93 0.00 0.00 178.83 178.30 1v95 h ILE 73 N -0.11 1.03 0.00 2.39 2.04 -0.42 -0.88 117.51 121.56 1v95 h ILE 73 Ca 0.03 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1v95 h ILE 73 Cb 0.51 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1v95 h ILE 73 CO 0.02 0.02 0.00 1.41 0.00 0.00 0.00 178.15 179.60 1v95 n HIS 74 N -5.05 0.00 -2.28 1.37 8.25 -0.05 -4.87 115.22 112.59 1v95 n HIS 74 Ca -0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.30 1v95 n HIS 74 Cb 0.04 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.24 -2.24 -4.32 -0.41 1.74 0.43 -4.91 116.66 105.70 1v95 n ARG 75 Ca 0.16 0.46 -0.26 0.00 -0.77 0.00 0.00 57.85 57.44 1v95 n ARG 75 Cb 0.22 -4.97 -0.09 0.00 -1.02 0.00 0.00 32.46 26.60 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 -1.98 4.15 0.35 0.55 1.04 0.69 -4.34 113.70 114.15 1v95 s SER 76 Ca 0.00 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 55.81 1v95 s SER 76 Cb 0.00 -0.65 -0.04 0.00 0.10 0.00 0.00 66.02 65.43 1v95 s SER 76 CO 0.00 0.08 0.14 0.00 0.98 0.00 0.00 173.24 174.44 1v95 s THR 78 N -3.41 2.92 -0.44 0.00 2.01 -1.22 -3.37 115.64 112.13 1v95 s THR 78 Ca 0.31 -1.10 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 1v95 s THR 78 Cb 0.04 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 70.05 1v95 s THR 78 CO 0.17 0.12 0.72 -0.69 -0.69 0.00 0.00 174.62 174.25 1v95 s VAL 79 N 1.31 4.74 -0.16 3.82 1.01 -1.23 -2.12 120.40 127.76 1v95 s VAL 79 Ca -0.01 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 1v95 s VAL 79 Cb -0.17 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1v95 s VAL 79 CO -0.04 -0.65 -0.03 0.20 0.00 0.00 0.00 175.10 174.59 1v95 s ASN 80 N 2.06 4.86 0.04 3.32 0.01 -0.63 -3.30 114.94 121.31 1v95 s ASN 80 Ca 0.26 -0.12 -0.09 0.00 -0.71 0.00 0.00 52.86 52.21 1v95 s ASN 80 Cb -0.13 -1.80 -0.05 0.00 0.41 0.00 0.00 41.25 39.68 1v95 s ASN 80 CO 0.21 0.16 0.34 -0.63 -1.51 0.00 0.00 177.10 175.67 1v95 s ILE 81 N 0.41 5.18 -0.10 0.60 1.01 -1.23 -1.42 121.20 125.65 1v95 s ILE 81 Ca -0.03 0.36 0.13 0.00 0.00 0.00 0.00 60.65 61.11 1v95 s ILE 81 Cb -0.14 -3.61 -0.18 0.00 0.01 0.00 0.00 42.46 38.53 1v95 s ILE 81 CO 0.03 0.35 0.12 0.23 0.00 0.00 0.00 174.94 175.67 1v95 n MET 82 N 1.09 1.44 -4.11 2.79 2.81 0.47 -4.68 117.12 116.93 1v95 n MET 82 Ca -0.10 -0.04 -0.32 0.00 -1.81 0.00 0.00 57.70 55.43 1v95 n MET 82 Cb 0.53 -1.34 -0.07 0.00 -0.71 0.00 0.00 33.22 31.62 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 -2.51 3.25 0.00 2.03 -0.12 -1.25 -5.00 117.98 114.37 1v95 s PHE 83 Ca -0.06 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 56.98 1v95 s PHE 83 Cb 0.05 -1.71 0.00 0.00 -0.63 0.00 0.00 43.02 40.74 1v95 s PHE 83 CO 0.56 0.54 0.00 0.41 -0.05 0.00 0.00 175.22 176.68 1v95 n GLY 84 N 1.05 -2.05 3.45 1.99 0.00 -1.26 -4.89 105.19 103.48 1v95 n GLY 84 Ca -0.12 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1v95 n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1v95 n THR 85 N -0.11 1.78 -2.31 2.61 -1.04 -1.26 -4.79 114.28 109.16 1v95 n THR 85 Ca 0.00 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.14 1v95 n THR 85 Cb 0.00 -0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 67.92 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 -1.65 2.99 -0.11 -2.82 0.04 -1.26 -4.93 135.00 127.25 1v95 s PRO 86 Ca 0.64 -0.19 -0.01 0.00 0.04 0.00 0.00 61.00 61.48 1v95 s PRO 86 Cb -0.57 -4.66 -0.02 0.00 0.04 0.00 0.00 34.50 29.28 1v95 s PRO 86 CO 0.58 -2.57 -0.08 -0.65 0.04 0.00 0.00 177.00 174.32 1v95 s GLN 87 N 6.21 3.23 -0.32 4.56 -1.52 -1.26 -5.08 119.66 125.48 1v95 s GLN 87 Ca 0.53 -0.58 0.00 0.00 -1.95 0.00 0.00 55.36 53.37 1v95 s GLN 87 Cb -0.07 -2.71 0.10 0.00 -0.22 0.00 0.00 33.01 30.11 1v95 s GLN 87 CO 0.08 0.40 0.09 -2.00 -0.25 0.00 0.00 175.29 173.61 1v95 s GLU 88 N -0.09 0.91 -0.45 2.91 2.12 -1.26 -3.53 118.70 119.31 1v95 s GLU 88 Ca 0.00 -1.29 -0.24 0.00 0.36 0.00 0.00 54.97 53.80 1v95 s GLU 88 Cb -0.13 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 31.98 1v95 s GLU 88 CO 0.03 -0.98 0.86 -1.01 -0.54 0.00 0.00 175.26 173.63 1v95 s HIS 89 N 1.42 2.97 -0.17 5.30 3.76 -1.21 -5.02 115.29 122.34 1v95 s HIS 89 Ca 0.10 0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 55.26 1v95 s HIS 89 Cb -0.18 -3.81 -0.05 0.00 1.11 0.00 0.00 32.58 29.66 1v95 s HIS 89 CO -0.21 -1.02 0.11 1.03 -0.85 0.00 0.00 174.74 173.80 1v95 s ARG 90 N 3.53 3.94 -0.26 1.40 0.52 -1.26 -3.51 118.95 123.31 1v95 s ARG 90 Ca 0.34 -0.24 -0.04 0.00 -0.52 0.00 0.00 55.73 55.27 1v95 s ARG 90 Cb -0.11 -3.30 0.02 0.00 0.52 0.00 0.00 34.95 32.08 1v95 s ARG 90 CO 0.24 0.41 0.08 0.09 0.02 0.00 0.00 175.30 176.14 1v95 n ASN 91 N 3.15 -5.26 -3.81 0.23 4.13 -1.26 -5.06 115.26 107.38 1v95 n ASN 91 Ca -0.17 1.36 -0.13 0.00 1.68 0.00 0.00 54.58 57.31 1v95 n ASN 91 Cb 0.53 -5.16 -0.14 0.00 -1.54 0.00 0.00 39.78 33.46 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 -1.27 0.03 0.26 3.52 -1.94 -1.22 -5.04 119.30 113.65 1v95 s MET 92 Ca -0.10 0.17 -0.30 0.00 -1.71 0.00 0.00 55.69 53.75 1v95 s MET 92 Cb 0.01 -0.10 -0.09 0.00 2.01 0.00 0.00 34.83 36.65 1v95 s MET 92 CO 0.76 -0.09 1.08 -1.25 -0.01 0.00 0.00 175.02 175.52 1v95 s PRO 93 N 0.58 4.66 0.10 2.03 0.04 -1.26 -3.12 135.00 138.04 1v95 s PRO 93 Ca -0.05 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.56 1v95 s PRO 93 Cb -0.07 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1v95 s PRO 93 CO -0.02 0.23 1.25 0.94 0.04 0.00 0.00 177.00 179.44 1v95 n GLN 94 N 1.35 -0.28 -0.39 4.56 7.27 -1.26 0.72 117.38 129.35 1v95 n GLN 94 Ca -0.01 1.23 -0.08 0.00 0.07 0.00 0.00 57.00 58.21 1v95 n GLN 94 Cb 0.45 -1.82 -0.07 0.00 2.41 0.00 0.00 30.24 31.21 1v95 n GLN 94 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v95 n ALA 95 N -3.20 -0.50 0.22 1.69 0.00 -1.26 0.17 120.51 117.63 1v95 n ALA 95 Ca 0.01 0.83 -0.15 0.00 0.00 0.00 0.00 53.44 54.13 1v95 n ALA 95 Cb 0.17 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.95 -0.84 0.00 5.19 -0.82 -0.73 116.42 118.28 1v95 h ASP 96 Ca 0.19 0.08 0.21 0.00 -0.62 0.00 0.00 57.03 56.89 1v95 h ASP 96 Cb 0.43 0.32 -0.14 0.00 0.18 0.00 0.00 39.33 40.12 1v95 h ASP 96 CO -0.90 -0.49 0.18 0.00 -3.12 0.00 0.00 179.24 174.91 1v95 h ALA 97 N -0.25 1.13 0.00 3.45 0.00 0.37 1.73 119.26 125.69 1v95 h ALA 97 Ca -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1v95 h ALA 97 Cb 0.66 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1v95 h ALA 97 CO -0.06 -0.43 -0.09 0.52 0.00 0.00 0.00 179.25 179.18 1v95 h MET 98 N 0.20 0.00 0.13 0.00 2.86 0.27 0.43 114.93 118.82 1v95 h MET 98 Ca 0.50 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.92 1v95 h MET 98 Cb 0.97 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.64 1v95 h MET 98 CO -0.64 0.09 -1.07 -0.24 1.06 0.00 0.00 176.91 176.10 1v95 h VAL 99 N 0.00 1.30 0.00 -2.22 3.04 0.35 0.25 116.25 118.97 1v95 h VAL 99 Ca -0.00 -2.47 -0.03 0.00 -1.01 0.00 0.00 66.70 63.18 1v95 h VAL 99 Cb 0.16 2.98 -0.00 0.00 -2.01 0.00 0.00 31.29 32.41 1v95 h VAL 99 CO 0.01 0.70 -0.16 0.25 -1.01 0.00 0.00 177.57 177.36 1v95 h LEU 100 N -0.36 0.00 0.00 3.16 6.46 0.16 0.83 115.31 125.56 1v95 h LEU 100 Ca -0.21 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.38 1v95 h LEU 100 Cb 1.69 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.59 1v95 h LEU 100 CO 0.11 0.16 -0.91 1.62 -0.62 0.00 0.00 178.44 178.80 1v95 h VAL 101 N 0.00 1.17 -0.03 1.05 3.04 -0.21 -1.93 116.25 119.34 1v95 h VAL 101 Ca -0.00 -2.23 -0.00 0.00 -1.01 0.00 0.00 66.70 63.45 1v95 h VAL 101 Cb 0.32 2.57 -0.00 0.00 -2.01 0.00 0.00 31.29 32.17 1v95 h VAL 101 CO 0.02 0.41 -0.00 0.00 -1.01 0.00 0.00 177.57 176.99 1v95 h ALA 102 N -0.33 1.94 0.05 3.17 0.00 -0.32 1.06 119.26 124.83 1v95 h ALA 102 Ca -0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1v95 h ALA 102 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1v95 h ALA 102 CO -0.14 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.13 1v95 h ARG 103 N 0.04 -0.06 0.06 0.00 2.47 0.57 -3.17 114.38 114.29 1v95 h ARG 103 Ca 0.01 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1v95 h ARG 103 Cb 0.03 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1v95 h ARG 103 CO 0.00 0.17 -0.12 -0.91 0.56 0.00 0.00 179.97 179.67 1v95 h ASN 104 N -1.00 -0.33 -0.92 7.04 2.35 -1.15 -2.36 115.58 119.20 1v95 h ASN 104 Ca -0.01 0.04 0.21 0.00 -0.55 0.00 0.00 56.30 56.00 1v95 h ASN 104 Cb 0.25 0.13 -0.17 0.00 0.05 0.00 0.00 38.32 38.58 1v95 h ASN 104 CO 0.01 -0.18 -0.09 0.22 -1.65 0.00 0.00 177.43 175.74 1v95 h TYR 105 N -0.24 -0.25 -0.10 1.19 3.20 0.10 0.02 116.97 120.90 1v95 h TYR 105 Ca 0.02 0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1v95 h TYR 105 Cb 0.26 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1v95 h TYR 105 CO -0.15 -0.38 -0.36 0.93 -1.64 0.00 0.00 178.16 176.55 1v95 h GLU 106 N 0.02 -0.37 -0.33 1.82 4.39 -1.39 0.17 114.58 118.89 1v95 h GLU 106 Ca 0.50 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.28 1v95 h GLU 106 Cb 0.89 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.54 1v95 h GLU 106 CO -0.89 -0.24 -0.48 -0.09 -1.16 0.00 0.00 179.01 176.15 1v95 h ARG 107 N -0.38 -0.39 -1.28 2.33 1.12 -0.99 0.57 114.38 115.36 1v95 h ARG 107 Ca 0.02 0.03 0.37 0.00 -1.11 0.00 0.00 59.98 59.29 1v95 h ARG 107 Cb 0.45 0.09 -0.07 0.00 -0.01 0.00 0.00 29.97 30.43 1v95 h ARG 107 CO -0.30 -0.26 0.90 -0.92 -3.11 0.00 0.00 179.97 176.28 1v95 h TYR 108 N -0.40 0.15 0.18 2.20 3.20 -0.73 1.14 116.97 122.71 1v95 h TYR 108 Ca 0.10 0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.67 1v95 h TYR 108 Cb 0.61 -0.04 0.02 0.00 1.54 0.00 0.00 36.73 38.85 1v95 h TYR 108 CO -0.63 -0.01 -1.35 -0.22 -1.64 0.00 0.00 178.16 174.31 1v95 h LYS 109 N 0.07 0.38 -0.42 1.82 3.64 0.20 -3.17 116.57 119.08 1v95 h LYS 109 Ca 0.64 -0.64 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1v95 h LYS 109 Cb 2.38 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 34.42 1v95 h LYS 109 CO -0.09 1.30 0.61 -0.91 -2.27 0.00 0.00 179.45 178.09 1v95 h ASN 110 N 0.10 0.00 0.24 4.20 4.21 0.50 1.41 115.58 126.25 1v95 h ASN 110 Ca -0.19 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.30 1v95 h ASN 110 Cb 2.05 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.25 1v95 h ASN 110 CO 0.23 0.00 -0.13 -0.08 -1.29 0.00 0.00 177.43 176.16 1v95 h GLU 111 N 0.00 0.00 0.00 0.81 4.81 -1.46 -1.15 114.58 117.59 1v95 h GLU 111 Ca 0.20 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1v95 h GLU 111 Cb 1.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1v95 h GLU 111 CO -0.00 0.13 -0.71 0.00 -0.73 0.00 0.00 179.01 177.69 1v95 h ARG 113 N -1.00 0.02 0.00 0.00 1.12 -1.35 -3.40 114.38 109.78 1v95 h ARG 113 Ca -0.13 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 1v95 h ARG 113 Cb 0.79 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.74 1v95 h ARG 113 CO -0.08 0.01 0.00 -1.91 -3.11 0.00 0.00 179.97 174.89 1v95 n GLU 114 N -5.51 2.86 -0.13 0.20 2.13 -0.45 -4.90 120.64 114.85 1v95 n GLU 114 Ca 0.19 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.02 1v95 n GLU 114 Cb 0.61 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.31 1v95 n GLU 114 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1v95 n LYS 115 N -0.13 -0.25 -1.34 5.31 5.02 -1.26 -4.53 118.16 120.98 1v95 n LYS 115 Ca 0.00 0.17 -0.55 0.00 -2.02 0.00 0.00 58.31 55.91 1v95 n LYS 115 Cb 0.00 -0.31 -0.11 0.00 -0.02 0.00 0.00 35.03 34.60 1v95 n LYS 115 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1v95 n GLU 116 N -2.16 0.36 -1.17 1.97 -0.58 -1.26 -4.68 120.64 113.11 1v95 n GLU 116 Ca 0.00 0.09 -0.46 0.00 -0.42 0.00 0.00 57.16 56.37 1v95 n GLU 116 Cb 0.06 -1.85 -0.06 0.00 -0.57 0.00 0.00 31.44 29.02 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 7.84 0.00 -0.89 3.49 1.74 -1.26 -4.80 116.66 122.78 1v95 n ARG 117 Ca 0.51 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.23 1v95 n ARG 117 Cb 0.06 -1.16 0.08 0.00 -1.02 0.00 0.00 32.46 30.42 1v95 n ARG 117 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1v95 n GLU 118 N 1.28 -0.52 -1.17 5.56 2.13 -1.26 -4.89 120.64 121.77 1v95 n GLU 118 Ca 0.16 -0.14 -0.14 0.00 0.66 0.00 0.00 57.16 57.70 1v95 n GLU 118 Cb 0.06 -1.26 0.14 0.00 0.27 0.00 0.00 31.44 30.65 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 0.86 2.36 0.00 5.31 2.13 -1.26 -4.92 120.64 125.12 1v95 n GLU 119 Ca -0.01 -3.43 0.00 0.00 0.66 0.00 0.00 57.16 54.38 1v95 n GLU 119 Cb 0.68 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1v95 n GLU 119 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1v95 n ILE 120 N -1.01 0.00 -0.77 6.31 5.41 -1.26 -5.01 119.36 123.03 1v95 n ILE 120 Ca 0.40 0.00 0.09 0.00 1.00 0.00 0.00 62.75 64.25 1v95 n ILE 120 Cb 0.98 -0.28 -0.05 0.00 -0.71 0.00 0.00 39.64 39.58 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 -3.00 -2.03 -2.83 -1.39 0.00 -1.26 -4.99 120.51 105.01 1v95 n ALA 121 Ca 0.00 0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.88 1v95 n ALA 121 Cb 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1v95 n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1v95 n ARG 122 N -3.29 -2.85 -3.65 0.00 1.74 -1.26 -5.06 116.66 102.29 1v95 n ARG 122 Ca -0.05 2.38 -0.03 0.00 -0.77 0.00 0.00 57.85 59.39 1v95 n ARG 122 Cb 0.37 -5.13 -0.07 0.00 -1.02 0.00 0.00 32.46 26.61 1v95 n ARG 122 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1v95 s GLN 123 N -2.00 0.12 0.37 5.56 0.74 -1.26 -5.16 119.66 118.02 1v95 s GLN 123 Ca 0.11 0.15 -0.25 0.00 0.05 0.00 0.00 55.36 55.42 1v95 s GLN 123 Cb -0.03 0.05 -0.09 0.00 1.10 0.00 0.00 33.01 34.04 1v95 s GLN 123 CO 0.74 -0.02 1.01 0.00 -0.55 0.00 0.00 175.29 176.48 1v95 s ALA 124 N 0.28 3.15 0.60 1.58 0.00 -1.26 -4.83 121.76 121.27 1v95 s ALA 124 Ca 0.04 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1v95 s ALA 124 Cb -0.04 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1v95 s ALA 124 CO -0.14 -0.07 0.00 0.45 0.00 0.00 0.00 175.76 176.01 1v95 n SER 125 N 0.20 -8.32 0.00 0.00 2.88 -1.26 -5.05 113.62 102.07 1v95 n SER 125 Ca 0.04 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1v95 n SER 125 Cb 0.50 -5.00 0.00 0.00 -0.75 0.00 0.00 64.21 58.95 1v95 n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v95 n GLY 126 N -4.39 0.31 3.80 0.46 0.00 -1.26 -5.14 105.19 98.97 1v95 n GLY 126 Ca -0.08 0.62 -0.34 0.00 0.00 0.00 0.00 46.02 46.22 1v95 n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v95 s PRO 127 N 0.00 3.72 -1.11 1.61 0.04 -1.26 -4.96 135.00 133.05 1v95 s PRO 127 Ca 0.00 1.32 -0.19 0.00 0.04 0.00 0.00 61.00 62.17 1v95 s PRO 127 Cb 0.00 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.55 1v95 s PRO 127 CO 0.00 -0.49 1.46 0.45 0.04 0.00 0.00 177.00 178.45 1v95 s SER 128 N -2.16 6.72 0.15 6.66 0.15 -1.26 -4.97 113.70 119.00 1v95 s SER 128 Ca 0.66 -2.12 -0.31 0.00 0.70 0.00 0.00 55.95 54.88 1v95 s SER 128 Cb -0.16 -2.51 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 1v95 s SER 128 CO 0.23 -1.19 1.79 -0.94 1.20 0.00 0.00 173.24 174.34 1v95 s SER 129 N 4.11 6.41 0.00 5.45 1.04 -1.26 -5.28 113.70 124.16 1v95 s SER 129 Ca 0.45 2.80 0.23 0.00 0.48 0.00 0.00 55.95 59.91 1v95 s SER 129 Cb -0.00 -2.58 1.38 0.00 0.10 0.00 0.00 66.02 64.92 1v95 s SER 129 CO -0.03 -0.99 1.75 0.61 0.98 0.00 0.00 173.24 175.55