#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nne s GLU 2 N 0.00 2.47 0.12 3.44 2.02 -1.26 -4.57 118.70 120.92 2nne s GLU 2 Ca 0.00 -1.10 -0.12 0.00 0.02 0.00 0.00 54.97 53.77 2nne s GLU 2 Cb 0.00 -2.38 0.01 0.00 0.10 0.00 0.00 34.13 31.86 2nne s GLU 2 CO 0.00 0.45 0.31 0.00 0.02 0.00 0.00 175.26 176.04 2nne s ALA 3 N -1.78 -0.52 0.06 5.21 0.00 -0.35 -4.98 121.76 119.40 2nne s ALA 3 Ca 0.28 -0.40 0.09 0.00 0.00 0.00 0.00 51.96 51.93 2nne s ALA 3 Cb -0.09 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 2nne s ALA 3 CO 0.19 -0.61 -0.26 0.45 0.00 0.00 0.00 175.76 175.54 2nne s SER 4 N -2.86 3.26 0.56 0.00 0.15 -1.26 -1.01 113.70 112.54 2nne s SER 4 Ca 0.06 -0.60 0.28 0.00 0.70 0.00 0.00 55.95 56.39 2nne s SER 4 Cb 0.03 -0.31 1.67 0.00 -1.71 0.00 0.00 66.02 65.70 2nne s SER 4 CO -0.09 0.25 2.18 0.77 1.20 0.00 0.00 173.24 177.55 2nne h SER 5 N 4.61 0.00 0.18 5.45 4.64 -1.14 -1.13 113.55 126.16 2nne h SER 5 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2nne h SER 5 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2nne h SER 5 CO 0.43 0.05 -0.21 0.35 -0.87 0.00 0.00 176.83 176.58 2nne n THR 6 N -3.79 0.00 -2.45 2.95 -2.24 -1.26 -3.40 114.28 104.08 2nne n THR 6 Ca -0.03 -0.16 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 2nne n THR 6 Cb 0.14 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 2nne n THR 6 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2nne s GLY 7 N -2.40 1.85 0.31 3.38 0.00 -0.43 -4.93 107.32 105.11 2nne s GLY 7 Ca 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 2nne s GLY 7 CO 0.48 0.14 1.95 -0.09 0.00 0.00 0.00 173.10 175.58 2nne h ARG 8 N 0.64 0.95 -0.64 2.90 2.43 -1.92 -2.97 114.38 115.77 2nne h ARG 8 Ca -0.46 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2nne h ARG 8 Cb 1.19 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2nne h ARG 8 CO 0.62 0.67 0.00 0.27 -1.51 0.00 0.00 179.97 180.02 2nne n ASN 9 N -4.39 4.44 -4.74 -3.80 2.04 -1.26 -4.96 115.26 102.59 2nne n ASN 9 Ca 0.07 -2.50 -0.42 0.00 -0.44 0.00 0.00 54.58 51.29 2nne n ASN 9 Cb 0.08 -0.57 -0.02 0.00 -2.53 0.00 0.00 39.78 36.73 2nne n ASN 9 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2nne s PHE 10 N -2.01 2.93 -0.59 -2.53 5.36 -1.13 -4.98 117.98 115.02 2nne s PHE 10 Ca 0.45 0.78 0.02 0.00 -0.96 0.00 0.00 56.93 57.22 2nne s PHE 10 Cb 0.31 -3.96 0.15 0.00 -0.34 0.00 0.00 43.02 39.17 2nne s PHE 10 CO 0.19 -3.33 0.37 1.21 -1.46 0.00 0.00 175.22 172.20 2nne s ASN 11 N 0.67 4.71 0.44 6.13 3.04 -1.26 -4.98 114.94 123.69 2nne s ASN 11 Ca 0.65 -3.14 0.17 0.00 0.04 0.00 0.00 52.86 50.58 2nne s ASN 11 Cb -0.45 -1.71 1.10 0.00 -1.54 0.00 0.00 41.25 38.65 2nne s ASN 11 CO 0.41 -0.24 1.93 1.62 -3.04 0.00 0.00 177.10 177.78 2nne h VAL 12 N 5.20 0.78 -0.29 -5.21 3.04 -1.98 -0.98 116.25 116.81 2nne h VAL 12 Ca -0.02 -0.12 0.07 0.00 -1.01 0.00 0.00 66.70 65.62 2nne h VAL 12 Cb 0.88 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 2nne h VAL 12 CO 0.71 0.07 0.21 -0.33 -1.01 0.00 0.00 177.57 177.21 2nne h GLU 13 N 0.36 0.07 0.00 4.17 5.08 -1.98 -1.77 114.58 120.50 2nne h GLU 13 Ca 0.36 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2nne h GLU 13 Cb 0.88 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2nne h GLU 13 CO -0.10 0.05 0.00 1.63 -1.00 0.00 0.00 179.01 179.58 2nne n LYS 14 N -4.47 0.00 0.00 2.33 5.02 -0.37 -1.99 118.16 118.69 2nne n LYS 14 Ca 0.04 0.11 0.14 0.00 -2.02 0.00 0.00 58.31 56.57 2nne n LYS 14 Cb 0.32 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.32 2nne n LYS 14 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2nne n ILE 15 N -1.50 0.00 -1.78 -0.18 -5.35 -0.67 -4.82 119.36 105.06 2nne n ILE 15 Ca 0.06 -0.23 -0.39 0.00 -0.27 0.00 0.00 62.75 61.92 2nne n ILE 15 Cb 0.27 0.49 0.04 0.00 -1.74 0.00 0.00 39.64 38.70 2nne n ILE 15 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2nne s ASN 16 N -2.09 5.32 0.00 7.28 2.47 -0.84 -4.70 114.94 122.38 2nne s ASN 16 Ca 0.35 2.78 0.00 0.00 0.42 0.00 0.00 52.86 56.42 2nne s ASN 16 Cb 0.21 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 2nne s ASN 16 CO 0.37 -1.53 0.00 0.61 -3.72 0.00 0.00 177.10 172.82 2nne n GLY 17 N 0.71 -0.09 3.71 1.21 0.00 0.42 -4.93 105.19 106.22 2nne n GLY 17 Ca 0.10 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 2nne n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nne s GLU 18 N 0.00 4.28 0.04 1.61 2.12 -1.26 -1.13 118.70 124.36 2nne s GLU 18 Ca 0.00 2.16 -0.05 0.00 0.36 0.00 0.00 54.97 57.45 2nne s GLU 18 Cb 0.00 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2nne s GLU 18 CO 0.00 -0.52 0.07 -1.58 -0.54 0.00 0.00 175.26 172.70 2nne s TRP 19 N 1.32 0.24 0.01 5.30 0.52 -0.99 -4.57 118.94 120.78 2nne s TRP 19 Ca 0.67 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 56.27 2nne s TRP 19 Cb -0.39 -0.17 -0.02 0.00 -1.15 0.00 0.00 33.47 31.75 2nne s TRP 19 CO 0.30 -0.35 -0.12 -1.01 0.02 0.00 0.00 176.95 175.79 2nne s HIS 20 N -2.61 1.10 -0.12 -1.98 3.76 0.62 -3.24 115.29 112.81 2nne s HIS 20 Ca -0.05 -0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.29 2nne s HIS 20 Cb -0.01 -0.68 -0.02 0.00 1.11 0.00 0.00 32.58 32.97 2nne s HIS 20 CO -0.05 0.00 1.31 0.99 -0.85 0.00 0.00 174.74 176.15 2nne s THR 21 N -0.57 4.15 -0.23 1.30 2.01 -1.25 -0.96 115.64 120.08 2nne s THR 21 Ca 0.03 1.41 -0.12 0.00 0.31 0.00 0.00 61.69 63.32 2nne s THR 21 Cb -0.06 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 2nne s THR 21 CO 0.00 -0.10 -0.30 -0.38 -0.69 0.00 0.00 174.62 173.16 2nne n ILE 22 N 5.24 1.26 -3.96 1.82 2.08 0.00 -4.60 119.36 121.20 2nne n ILE 22 Ca 0.14 -0.32 -0.13 0.00 0.56 0.00 0.00 62.75 63.00 2nne n ILE 22 Cb 0.45 -1.82 -0.14 0.00 -0.75 0.00 0.00 39.64 37.38 2nne n ILE 22 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2nne s ILE 23 N -2.42 0.13 0.12 1.39 1.01 -0.93 0.02 121.20 120.52 2nne s ILE 23 Ca -0.32 -0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.37 2nne s ILE 23 Cb 0.12 -0.11 -0.04 0.00 0.01 0.00 0.00 42.46 42.44 2nne s ILE 23 CO 0.40 0.04 -0.27 -0.76 0.00 0.00 0.00 174.94 174.35 2nne s LEU 24 N -0.04 2.31 0.01 2.97 1.43 -0.57 -0.62 118.68 124.18 2nne s LEU 24 Ca 0.01 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 2nne s LEU 24 Cb -0.01 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 2nne s LEU 24 CO -0.00 0.18 0.04 0.00 0.23 0.00 0.00 176.35 176.81 2nne s ALA 25 N -1.04 -0.08 -0.09 4.21 0.00 0.39 -0.12 121.76 125.02 2nne s ALA 25 Ca 0.14 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 2nne s ALA 25 Cb -0.10 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.18 2nne s ALA 25 CO 0.06 -0.17 0.55 0.45 0.00 0.00 0.00 175.76 176.65 2nne s SER 26 N -1.28 -0.52 0.00 0.00 0.15 -0.96 -0.40 113.70 110.69 2nne s SER 26 Ca -0.14 0.69 0.27 0.00 0.70 0.00 0.00 55.95 57.47 2nne s SER 26 Cb -0.08 0.68 1.59 0.00 -1.71 0.00 0.00 66.02 66.51 2nne s SER 26 CO 0.00 -0.44 2.02 -0.90 1.20 0.00 0.00 173.24 175.12 2nne n ASP 27 N 1.60 0.00 -3.77 5.45 5.68 -1.06 -4.03 116.55 120.41 2nne n ASP 27 Ca -0.18 -1.12 -0.29 0.00 -0.50 0.00 0.00 54.79 52.69 2nne n ASP 27 Cb 0.56 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.41 2nne n ASP 27 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2nne s LYS 28 N -2.00 1.51 0.44 0.11 1.02 -1.26 -4.97 119.74 114.58 2nne s LYS 28 Ca 0.40 -2.22 0.13 0.00 0.02 0.00 0.00 55.97 54.29 2nne s LYS 28 Cb 0.18 -2.61 1.02 0.00 -0.52 0.00 0.00 37.83 35.91 2nne s LYS 28 CO 0.31 -1.16 2.02 -0.09 -0.92 0.00 0.00 175.35 175.51 2nne h ARG 29 N 6.58 0.38 -0.18 1.68 2.43 -1.93 -1.87 114.38 121.47 2nne h ARG 29 Ca -0.01 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2nne h ARG 29 Cb 0.91 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2nne h ARG 29 CO 0.54 0.25 0.18 1.05 -1.51 0.00 0.00 179.97 180.49 2nne h GLU 30 N 0.39 0.00 0.00 0.20 4.11 -1.95 -1.94 114.58 115.39 2nne h GLU 30 Ca 0.21 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.62 2nne h GLU 30 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2nne h GLU 30 CO -0.05 0.00 -0.09 0.87 0.07 0.00 0.00 179.01 179.81 2nne h LYS 31 N 0.00 0.00 -0.01 1.06 6.56 -1.73 -3.10 116.57 119.36 2nne h LYS 31 Ca 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2nne h LYS 31 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 2nne h LYS 31 CO -0.00 0.09 0.00 0.44 -2.06 0.00 0.00 179.45 177.92 2nne n ILE 32 N -3.53 0.11 -1.51 1.86 -5.35 -0.75 -1.26 119.36 108.93 2nne n ILE 32 Ca -0.02 -0.55 -0.30 0.00 -0.27 0.00 0.00 62.75 61.61 2nne n ILE 32 Cb 0.22 0.97 0.21 0.00 -1.74 0.00 0.00 39.64 39.30 2nne n ILE 32 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2nne s GLU 33 N -0.19 -0.21 0.32 6.28 2.02 -1.09 -4.63 118.70 121.19 2nne s GLU 33 Ca 0.01 -0.21 0.09 0.00 0.02 0.00 0.00 54.97 54.88 2nne s GLU 33 Cb 0.01 -1.73 0.91 0.00 0.10 0.00 0.00 34.13 33.42 2nne s GLU 33 CO 0.01 -3.01 1.68 -0.44 0.02 0.00 0.00 175.26 173.52 2nne h ASP 34 N -2.08 0.43 -0.61 -0.19 5.19 -1.94 0.21 116.42 117.43 2nne h ASP 34 Ca -0.45 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2nne h ASP 34 Cb 1.27 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.91 2nne h ASP 34 CO 0.37 -0.06 0.00 0.59 -3.12 0.00 0.00 179.24 177.02 2nne n ASN 35 N -5.05 5.19 -4.80 6.45 5.03 -1.26 -4.99 115.26 115.83 2nne n ASN 35 Ca 0.27 -2.68 -0.38 0.00 0.87 0.00 0.00 54.58 52.67 2nne n ASN 35 Cb 0.82 -0.63 -0.06 0.00 -1.02 0.00 0.00 39.78 38.89 2nne n ASN 35 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2nne s GLY 36 N -0.89 2.74 0.41 7.41 0.00 0.72 -4.96 107.32 112.76 2nne s GLY 36 Ca 0.53 0.21 0.29 0.00 0.00 0.00 0.00 44.72 45.75 2nne s GLY 36 CO 0.21 0.64 1.88 3.43 0.00 0.00 0.00 173.10 179.25 2nne h ASN 37 N 3.99 0.00 -0.47 1.64 -0.26 -1.83 -2.82 115.58 115.83 2nne h ASN 37 Ca -0.48 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 2nne h ASN 37 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 2nne h ASN 37 CO 0.65 0.00 0.00 0.49 -1.06 0.00 0.00 177.43 177.51 2nne n PHE 38 N -2.58 0.72 -2.42 1.19 3.01 -0.39 -4.70 117.46 112.29 2nne n PHE 38 Ca -0.00 -0.53 -0.43 0.00 1.01 0.00 0.00 57.45 57.50 2nne n PHE 38 Cb 0.16 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 2nne n PHE 38 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2nne n ARG 39 N 0.81 3.31 -4.76 -1.08 0.63 -1.06 -4.80 116.66 109.71 2nne n ARG 39 Ca 0.17 -3.38 -0.33 0.00 -0.92 0.00 0.00 57.85 53.39 2nne n ARG 39 Cb 0.55 -3.14 -0.12 0.00 0.45 0.00 0.00 32.46 30.20 2nne n ARG 39 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2nne s LEU 40 N 1.63 2.93 -0.44 6.15 1.43 -1.26 -4.78 118.68 124.34 2nne s LEU 40 Ca 0.45 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 2nne s LEU 40 Cb 0.06 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.75 2nne s LEU 40 CO -0.00 0.35 0.31 -0.36 0.23 0.00 0.00 176.35 176.88 2nne s PHE 41 N -0.72 3.32 0.49 0.29 0.40 -0.01 -4.82 117.98 116.94 2nne s PHE 41 Ca 0.11 -1.42 -0.22 0.00 -0.60 0.00 0.00 56.93 54.79 2nne s PHE 41 Cb -0.11 -3.10 -0.06 0.00 0.51 0.00 0.00 43.02 40.25 2nne s PHE 41 CO 0.01 -0.86 1.24 -1.17 0.70 0.00 0.00 175.22 175.14 2nne s LEU 42 N 1.47 3.94 -0.01 -0.37 2.96 -1.26 -0.57 118.68 124.85 2nne s LEU 42 Ca 0.04 2.48 -0.00 0.00 -0.22 0.00 0.00 54.13 56.43 2nne s LEU 42 Cb -0.24 -4.26 -0.00 0.00 0.50 0.00 0.00 46.19 42.19 2nne s LEU 42 CO 0.03 -1.18 -0.01 -0.62 -1.32 0.00 0.00 176.35 173.25 2nne n GLU 43 N -0.71 0.02 -3.47 1.98 1.02 0.12 -3.89 120.64 115.71 2nne n GLU 43 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2nne n GLU 43 Cb 0.47 -0.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.94 2nne n GLU 43 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2nne s GLN 44 N -2.01 1.07 -0.12 3.49 -2.07 -1.17 -2.33 119.66 116.51 2nne s GLN 44 Ca -0.01 -0.27 0.03 0.00 -1.82 0.00 0.00 55.36 53.29 2nne s GLN 44 Cb 0.00 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 2nne s GLN 44 CO 0.02 -0.44 -0.22 0.42 -1.32 0.00 0.00 175.29 173.75 2nne s ILE 45 N -3.01 2.16 -0.27 3.63 1.01 -0.28 -1.68 121.20 122.76 2nne s ILE 45 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 2nne s ILE 45 Cb -0.01 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2nne s ILE 45 CO -0.08 0.55 0.02 -2.28 0.00 0.00 0.00 174.94 173.16 2nne s HIS 46 N 0.57 3.11 -0.22 3.97 2.46 0.04 -0.43 115.29 124.79 2nne s HIS 46 Ca -0.13 -1.19 -0.23 0.00 0.47 0.00 0.00 55.06 53.98 2nne s HIS 46 Cb -0.17 -2.17 -0.01 0.00 -0.13 0.00 0.00 32.58 30.10 2nne s HIS 46 CO 0.04 -0.63 0.76 0.08 -2.47 0.00 0.00 174.74 172.52 2nne s VAL 47 N 1.43 4.91 0.49 0.89 1.01 -1.26 -0.55 120.40 127.31 2nne s VAL 47 Ca 0.02 1.44 0.05 0.00 0.00 0.00 0.00 61.98 63.50 2nne s VAL 47 Cb -0.17 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 2nne s VAL 47 CO -0.00 0.00 0.26 -0.76 0.00 0.00 0.00 175.10 174.60 2nne s LEU 48 N 2.42 2.81 0.22 3.92 1.43 -0.39 -5.00 118.68 124.09 2nne s LEU 48 Ca 0.33 -1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 52.12 2nne s LEU 48 Cb -0.16 -1.25 0.30 0.00 0.03 0.00 0.00 46.19 45.12 2nne s LEU 48 CO 0.09 -0.84 1.78 -0.08 0.23 0.00 0.00 176.35 177.53 2nne h GLU 49 N 1.10 0.56 0.00 1.70 4.81 -2.03 -3.23 114.58 117.49 2nne h GLU 49 Ca -0.40 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2nne h GLU 49 Cb 1.29 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2nne h GLU 49 CO 0.64 0.37 -0.04 1.63 -0.73 0.00 0.00 179.01 180.88 2nne n LYS 50 N -4.88 1.72 -3.88 1.92 5.02 -1.26 -5.08 118.16 111.72 2nne n LYS 50 Ca 0.10 -1.43 -0.08 0.00 -2.02 0.00 0.00 58.31 54.88 2nne n LYS 50 Cb 0.25 -0.94 -0.02 0.00 -0.02 0.00 0.00 35.03 34.31 2nne n LYS 50 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2nne s SER 51 N -1.13 -0.15 -0.05 4.39 1.04 -1.22 -2.24 113.70 114.34 2nne s SER 51 Ca 0.06 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.74 2nne s SER 51 Cb 0.05 0.73 -0.00 0.00 0.10 0.00 0.00 66.02 66.90 2nne s SER 51 CO 0.01 -1.38 -0.18 -0.76 0.98 0.00 0.00 173.24 171.91 2nne s LEU 52 N -2.97 1.91 -0.27 2.42 1.43 0.13 -1.26 118.68 120.06 2nne s LEU 52 Ca 0.14 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 2nne s LEU 52 Cb -0.05 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.11 2nne s LEU 52 CO 0.09 0.14 0.16 -0.69 0.23 0.00 0.00 176.35 176.28 2nne s VAL 53 N 0.14 5.08 -0.21 -1.59 1.01 0.29 -0.41 120.40 124.70 2nne s VAL 53 Ca -0.07 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 2nne s VAL 53 Cb -0.13 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2nne s VAL 53 CO 0.03 0.27 0.06 -0.76 0.00 0.00 0.00 175.10 174.70 2nne s LEU 54 N 1.72 3.57 -0.23 3.92 1.43 0.42 -0.78 118.68 128.73 2nne s LEU 54 Ca 0.07 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 2nne s LEU 54 Cb -0.16 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2nne s LEU 54 CO 0.09 0.07 0.04 -0.54 0.23 0.00 0.00 176.35 176.23 2nne s LYS 55 N 1.02 3.61 0.35 1.70 3.01 -0.67 -0.94 119.74 127.81 2nne s LYS 55 Ca 0.04 -0.51 0.06 0.00 -1.01 0.00 0.00 55.97 54.55 2nne s LYS 55 Cb -0.14 -3.21 -0.07 0.00 -1.01 0.00 0.00 37.83 33.40 2nne s LYS 55 CO 0.03 -0.13 0.01 -0.06 0.51 0.00 0.00 175.35 175.70 2nne s PHE 56 N 1.42 2.23 0.13 3.18 0.40 0.55 0.15 117.98 126.04 2nne s PHE 56 Ca 0.05 -0.76 0.04 0.00 -0.60 0.00 0.00 56.93 55.66 2nne s PHE 56 Cb -0.15 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2nne s PHE 56 CO 0.02 0.28 -0.10 -3.38 0.70 0.00 0.00 175.22 172.74 2nne s HIS 57 N -2.95 1.20 0.00 0.36 -3.43 0.26 -1.56 115.29 109.17 2nne s HIS 57 Ca 0.35 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.86 2nne s HIS 57 Cb 0.08 -0.62 0.00 0.00 -1.43 0.00 0.00 32.58 30.60 2nne s HIS 57 CO 0.16 0.05 0.00 0.41 -2.00 0.00 0.00 174.74 173.36 2nne n GLY 58 N -0.01 0.00 0.84 -1.38 0.00 -1.26 -0.83 105.19 102.55 2nne n GLY 58 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2nne n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2nne n SER 69 N 0.00 -5.17 -4.77 1.61 2.88 -1.26 -5.02 113.62 101.89 2nne n SER 69 Ca 0.00 0.63 -0.39 0.00 -1.33 0.00 0.00 58.87 57.78 2nne n SER 69 Cb 0.00 -1.86 -0.06 0.00 -0.75 0.00 0.00 64.21 61.54 2nne n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2nne s GLU 70 N -3.95 4.32 -0.04 -1.46 0.41 -1.26 -5.02 118.70 111.70 2nne s GLU 70 Ca 0.00 0.79 0.02 0.00 -0.41 0.00 0.00 54.97 55.37 2nne s GLU 70 Cb 0.00 -3.31 0.01 0.00 -1.78 0.00 0.00 34.13 29.04 2nne s GLU 70 CO 0.00 0.44 -0.09 -1.17 -0.49 0.00 0.00 175.26 173.95 2nne s LEU 71 N -0.45 1.69 -0.06 1.80 0.20 -0.60 -5.00 118.68 116.25 2nne s LEU 71 Ca 0.31 -0.21 0.04 0.00 0.69 0.00 0.00 54.13 54.97 2nne s LEU 71 Cb -0.19 -0.60 -0.00 0.00 -0.43 0.00 0.00 46.19 44.96 2nne s LEU 71 CO 0.19 0.04 -0.19 -0.44 -0.29 0.00 0.00 176.35 175.66 2nne s SER 72 N 0.40 2.44 0.03 3.68 0.01 -1.26 -0.33 113.70 118.67 2nne s SER 72 Ca -0.07 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 56.83 2nne s SER 72 Cb -0.11 -0.84 -0.02 0.00 0.21 0.00 0.00 66.02 65.26 2nne s SER 72 CO 0.01 0.15 -0.15 -0.04 0.41 0.00 0.00 173.24 173.62 2nne s MET 73 N 0.16 1.06 -0.23 12.44 -1.94 -0.12 -4.98 119.30 125.69 2nne s MET 73 Ca -0.08 -0.74 -0.06 0.00 -1.71 0.00 0.00 55.69 53.10 2nne s MET 73 Cb -0.14 -1.08 -0.02 0.00 2.01 0.00 0.00 34.83 35.60 2nne s MET 73 CO 0.04 0.27 0.02 0.08 -0.01 0.00 0.00 175.02 175.42 2nne s VAL 74 N -0.73 3.95 -0.25 -6.03 1.01 -1.26 -0.43 120.40 116.65 2nne s VAL 74 Ca 0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2nne s VAL 74 Cb -0.07 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2nne s VAL 74 CO 0.01 0.38 0.14 0.00 0.00 0.00 0.00 175.10 175.63 2nne s ALA 75 N 1.43 3.46 -0.00 5.51 0.00 0.46 -4.65 121.76 127.97 2nne s ALA 75 Ca 0.05 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 2nne s ALA 75 Cb -0.15 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 2nne s ALA 75 CO 0.01 -0.32 0.29 -0.51 0.00 0.00 0.00 175.76 175.22 2nne s ASP 76 N 1.32 6.54 0.37 0.00 1.01 -0.03 -0.69 116.67 125.19 2nne s ASP 76 Ca 0.06 0.63 -0.28 0.00 0.71 0.00 0.00 52.55 53.68 2nne s ASP 76 Cb -0.15 -2.12 -0.11 0.00 1.01 0.00 0.00 42.92 41.55 2nne s ASP 76 CO 0.06 0.27 1.50 -0.54 0.21 0.00 0.00 175.17 176.68 2nne s LYS 77 N -1.59 4.10 0.00 8.23 1.02 -0.95 -0.67 119.74 129.88 2nne s LYS 77 Ca 0.26 2.59 0.00 0.00 0.02 0.00 0.00 55.97 58.84 2nne s LYS 77 Cb -0.14 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 2nne s LYS 77 CO 0.14 -0.56 0.00 0.25 -0.92 0.00 0.00 175.35 174.27 2nne n THR 78 N 0.59 0.00 0.56 2.17 -2.24 -0.51 -4.82 114.28 110.03 2nne n THR 78 Ca 0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 2nne n THR 78 Cb 0.39 -1.24 0.38 0.00 -2.10 0.00 0.00 70.33 67.76 2nne n THR 78 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2nne h GLU 79 N 0.00 0.00 -5.22 -0.78 5.08 -1.96 -3.43 114.58 108.27 2nne h GLU 79 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 2nne h GLU 79 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 2nne h GLU 79 CO 0.00 0.00 -0.52 -1.59 -1.00 0.00 0.00 179.01 175.90 2nne s LYS 80 N -3.13 4.08 0.25 2.33 -2.85 -1.26 -5.05 119.74 114.11 2nne s LYS 80 Ca 0.10 -0.28 -0.31 0.00 -1.00 0.00 0.00 55.97 54.48 2nne s LYS 80 Cb 0.11 -3.39 -0.13 0.00 -2.06 0.00 0.00 37.83 32.36 2nne s LYS 80 CO 0.60 0.22 1.40 0.00 0.10 0.00 0.00 175.35 177.67 2nne n ALA 81 N 3.74 1.13 -0.96 0.59 0.00 -1.26 -1.73 120.51 122.02 2nne n ALA 81 Ca -0.16 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2nne n ALA 81 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2nne n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nne n GLY 82 N 2.03 0.68 3.70 0.00 0.00 -1.22 -4.35 105.19 106.03 2nne n GLY 82 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2nne n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nne s GLU 83 N -0.19 3.17 0.13 1.61 2.12 -0.71 -4.27 118.70 120.56 2nne s GLU 83 Ca 0.00 -0.37 0.07 0.00 0.36 0.00 0.00 54.97 55.03 2nne s GLU 83 Cb 0.00 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 2nne s GLU 83 CO 0.00 0.65 -0.16 0.71 -0.54 0.00 0.00 175.26 175.92 2nne s TYR 84 N -0.72 1.57 0.10 5.30 1.51 -0.17 -1.42 117.35 123.51 2nne s TYR 84 Ca 0.12 -0.50 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 2nne s TYR 84 Cb -0.12 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 2nne s TYR 84 CO 0.02 0.20 -0.17 -1.54 -1.11 0.00 0.00 175.55 172.95 2nne s SER 85 N -2.36 2.13 -0.21 2.29 1.04 0.16 -0.38 113.70 116.37 2nne s SER 85 Ca 0.09 -0.69 -0.19 0.00 0.48 0.00 0.00 55.95 55.64 2nne s SER 85 Cb -0.06 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.02 2nne s SER 85 CO 0.04 -0.03 0.56 0.54 0.98 0.00 0.00 173.24 175.32 2nne s VAL 86 N -1.42 -0.00 -0.31 5.02 0.11 -0.58 -0.85 120.40 122.37 2nne s VAL 86 Ca 0.04 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.87 2nne s VAL 86 Cb -0.09 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 2nne s VAL 86 CO 0.03 0.00 0.77 -0.89 -3.33 0.00 0.00 175.10 171.68 2nne s THR 87 N 0.40 4.81 -0.30 5.04 2.01 -1.26 -1.48 115.64 124.85 2nne s THR 87 Ca -0.01 1.11 -0.10 0.00 0.31 0.00 0.00 61.69 63.00 2nne s THR 87 Cb -0.04 -4.13 0.14 0.00 0.01 0.00 0.00 72.50 68.48 2nne s THR 87 CO -0.01 -0.25 0.71 -0.47 -0.69 0.00 0.00 174.62 173.91 2nne s TYR 88 N 2.92 -1.26 -1.43 4.92 5.04 -1.26 -4.95 117.35 121.34 2nne s TYR 88 Ca 0.31 2.06 -0.12 0.00 -2.44 0.00 0.00 57.07 56.88 2nne s TYR 88 Cb -0.14 0.71 0.02 0.00 0.35 0.00 0.00 41.96 42.89 2nne s TYR 88 CO 0.13 -0.63 0.25 -3.47 -1.34 0.00 0.00 175.55 170.49 2nne n ASP 89 N 5.37 -0.85 0.00 4.32 2.03 -1.26 -4.51 116.55 121.66 2nne n ASP 89 Ca -0.10 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 53.93 2nne n ASP 89 Cb 0.50 -1.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 2nne n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nne n GLY 90 N -2.40 -0.67 3.54 0.27 0.00 -1.26 -4.76 105.19 99.91 2nne n GLY 90 Ca -0.25 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.22 2nne n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nne s PHE 91 N 0.00 3.17 -0.06 1.61 5.36 -0.08 -4.45 117.98 123.53 2nne s PHE 91 Ca 0.00 -0.13 0.04 0.00 -0.96 0.00 0.00 56.93 55.88 2nne s PHE 91 Cb 0.00 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 2nne s PHE 91 CO 0.00 -0.17 -0.15 -0.80 -1.46 0.00 0.00 175.22 172.64 2nne s ASN 92 N 1.35 3.92 -0.00 6.13 0.01 -0.55 -0.54 114.94 125.25 2nne s ASN 92 Ca 0.06 -0.24 0.07 0.00 -0.71 0.00 0.00 52.86 52.03 2nne s ASN 92 Cb -0.15 -0.91 -0.02 0.00 0.41 0.00 0.00 41.25 40.58 2nne s ASN 92 CO 0.05 0.32 -0.21 0.42 -1.51 0.00 0.00 177.10 176.17 2nne s THR 93 N -0.56 1.67 0.06 1.60 -4.23 -0.49 -1.52 115.64 112.18 2nne s THR 93 Ca 0.08 -0.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.56 2nne s THR 93 Cb -0.11 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.30 2nne s THR 93 CO 0.01 0.41 0.09 0.72 -0.54 0.00 0.00 174.62 175.31 2nne s PHE 94 N -0.57 0.29 0.31 3.99 -0.71 0.49 -0.56 117.98 121.22 2nne s PHE 94 Ca 0.08 -0.74 0.03 0.00 -1.04 0.00 0.00 56.93 55.26 2nne s PHE 94 Cb -0.08 -0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 2nne s PHE 94 CO -0.00 -0.45 0.12 0.95 -1.34 0.00 0.00 175.22 174.50 2nne s THR 95 N -3.60 0.58 -0.58 -4.49 -4.23 -0.46 -1.00 115.64 101.85 2nne s THR 95 Ca 0.03 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2nne s THR 95 Cb 0.05 -2.58 0.15 0.00 1.34 0.00 0.00 72.50 71.46 2nne s THR 95 CO -0.09 0.00 0.36 -0.63 -0.54 0.00 0.00 174.62 173.72 2nne s ILE 96 N -3.55 3.12 0.53 2.99 1.01 -1.26 -1.23 121.20 122.82 2nne s ILE 96 Ca 0.35 -3.24 0.21 0.00 0.00 0.00 0.00 60.65 57.97 2nne s ILE 96 Cb 0.06 -3.09 0.29 0.00 0.01 0.00 0.00 42.46 39.73 2nne s ILE 96 CO 0.15 -0.85 2.17 1.55 0.00 0.00 0.00 174.94 177.97 2nne h PRO 97 N 6.65 0.00 -2.34 2.79 0.13 -1.85 0.71 132.00 138.08 2nne h PRO 97 Ca -0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.05 2nne h PRO 97 Cb 0.91 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.80 2nne h PRO 97 CO 0.70 0.02 -0.20 0.21 -0.23 0.00 0.00 178.00 178.51 2nne s LYS 98 N -4.86 0.50 -0.01 0.86 2.47 -1.22 -4.27 119.74 113.21 2nne s LYS 98 Ca -0.05 1.06 -0.10 0.00 -1.56 0.00 0.00 55.97 55.32 2nne s LYS 98 Cb 0.16 0.22 0.01 0.00 -1.46 0.00 0.00 37.83 36.76 2nne s LYS 98 CO 0.63 -0.18 0.19 -0.08 0.16 0.00 0.00 175.35 176.07 2nne s THR 99 N 1.92 0.07 -1.16 3.43 -1.32 -0.18 -0.29 115.64 118.11 2nne s THR 99 Ca -0.08 -0.60 0.13 0.00 -1.21 0.00 0.00 61.69 59.93 2nne s THR 99 Cb -0.09 -0.48 0.37 0.00 -1.51 0.00 0.00 72.50 70.79 2nne s THR 99 CO -0.16 -0.33 1.30 -0.90 -2.21 0.00 0.00 174.62 172.32 2nne n ASP 100 N 1.45 3.10 0.00 8.08 5.75 -1.02 -1.21 116.55 132.71 2nne n ASP 100 Ca -0.22 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 2nne n ASP 100 Cb 0.56 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2nne n ASP 100 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2nne n TYR 101 N 0.75 0.00 0.29 2.11 4.01 -1.25 -4.43 117.16 118.64 2nne n TYR 101 Ca 0.14 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.99 2nne n TYR 101 Cb 0.46 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.41 2nne n TYR 101 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2nne n ASP 102 N 1.18 0.43 0.05 7.72 8.00 -1.26 -4.73 116.55 127.93 2nne n ASP 102 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2nne n ASP 102 Cb 0.00 1.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.40 2nne n ASP 102 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2nne n ASN 103 N -2.15 0.43 -4.21 -2.24 3.02 -1.26 -4.73 115.26 104.12 2nne n ASN 103 Ca -0.01 0.15 -0.14 0.00 -0.03 0.00 0.00 54.58 54.55 2nne n ASN 103 Cb 0.50 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.50 2nne n ASN 103 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2nne s PHE 104 N -2.00 1.14 -0.07 3.10 -0.12 -1.26 -1.18 117.98 117.59 2nne s PHE 104 Ca 0.00 -0.73 -0.03 0.00 -0.05 0.00 0.00 56.93 56.13 2nne s PHE 104 Cb 0.00 -0.60 0.04 0.00 -0.63 0.00 0.00 43.02 41.83 2nne s PHE 104 CO 0.00 0.02 0.14 -1.17 -0.05 0.00 0.00 175.22 174.16 2nne s LEU 105 N -2.82 0.55 -0.19 -1.99 0.20 -0.06 -2.43 118.68 111.94 2nne s LEU 105 Ca 0.11 0.29 -0.02 0.00 0.69 0.00 0.00 54.13 55.20 2nne s LEU 105 Cb 0.00 0.31 -0.01 0.00 -0.43 0.00 0.00 46.19 46.06 2nne s LEU 105 CO -0.00 -0.17 -0.09 -0.04 -0.29 0.00 0.00 176.35 175.76 2nne s MET 106 N 1.44 3.34 -0.00 1.98 -1.94 0.60 -0.61 119.30 124.11 2nne s MET 106 Ca -0.06 -0.67 0.04 0.00 -1.71 0.00 0.00 55.69 53.30 2nne s MET 106 Cb -0.12 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.85 2nne s MET 106 CO -0.06 -0.07 -0.12 0.00 -0.01 0.00 0.00 175.02 174.76 2nne s ALA 107 N 1.11 2.80 -0.14 3.03 0.00 -0.35 -2.73 121.76 125.48 2nne s ALA 107 Ca 0.01 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2nne s ALA 107 Cb -0.15 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.02 2nne s ALA 107 CO -0.02 0.59 -0.18 -1.58 0.00 0.00 0.00 175.76 174.57 2nne s HIS 108 N -0.90 2.37 -0.02 0.00 5.65 -0.37 -1.42 115.29 120.61 2nne s HIS 108 Ca 0.15 -1.27 0.06 0.00 0.25 0.00 0.00 55.06 54.25 2nne s HIS 108 Cb -0.11 -1.68 -0.02 0.00 -1.18 0.00 0.00 32.58 29.60 2nne s HIS 108 CO 0.05 -0.63 -0.20 -1.17 -0.65 0.00 0.00 174.74 172.13 2nne s LEU 109 N 1.14 2.04 -0.19 8.88 0.20 0.72 -1.35 118.68 130.12 2nne s LEU 109 Ca -0.01 -0.37 -0.03 0.00 0.69 0.00 0.00 54.13 54.41 2nne s LEU 109 Cb -0.14 -1.05 -0.01 0.00 -0.43 0.00 0.00 46.19 44.55 2nne s LEU 109 CO -0.07 0.25 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.55 2nne s ILE 110 N -0.46 3.42 -0.08 6.68 -1.09 0.27 -0.61 121.20 129.34 2nne s ILE 110 Ca 0.07 -0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 57.96 2nne s ILE 110 Cb -0.08 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 2nne s ILE 110 CO -0.01 0.46 0.09 0.21 -1.23 0.00 0.00 174.94 174.46 2nne s ASN 111 N 1.02 5.89 -0.12 3.58 3.84 -0.49 -1.39 114.94 127.27 2nne s ASN 111 Ca 0.00 0.30 -0.00 0.00 0.21 0.00 0.00 52.86 53.37 2nne s ASN 111 Cb -0.15 -1.80 0.03 0.00 -0.55 0.00 0.00 41.25 38.79 2nne s ASN 111 CO 0.00 0.37 -0.08 -1.61 -2.79 0.00 0.00 177.10 172.99 2nne s GLU 112 N -1.17 1.54 -0.05 0.43 2.02 0.29 -1.80 118.70 119.96 2nne s GLU 112 Ca 0.17 -0.29 -0.03 0.00 0.02 0.00 0.00 54.97 54.84 2nne s GLU 112 Cb -0.12 -1.65 0.03 0.00 0.10 0.00 0.00 34.13 32.49 2nne s GLU 112 CO 0.06 -0.29 0.12 0.21 0.02 0.00 0.00 175.26 175.39 2nne s LYS 113 N 1.70 0.09 -1.49 1.61 2.20 -1.05 -0.90 119.74 121.90 2nne s LYS 113 Ca 0.05 0.27 -0.13 0.00 -0.36 0.00 0.00 55.97 55.80 2nne s LYS 113 Cb -0.13 -0.10 0.09 0.00 -1.51 0.00 0.00 37.83 36.18 2nne s LYS 113 CO -0.08 -0.11 0.79 -0.25 -0.36 0.00 0.00 175.35 175.33 2nne n ASP 114 N 3.76 -4.42 0.00 1.43 10.43 -1.26 -0.87 116.55 125.61 2nne n ASP 114 Ca -0.21 -0.66 0.00 0.00 2.57 0.00 0.00 54.79 56.49 2nne n ASP 114 Cb 0.54 -3.58 0.00 0.00 1.84 0.00 0.00 41.12 39.93 2nne n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2nne n GLY 115 N -1.49 0.86 2.91 0.44 0.00 -1.26 -5.02 105.19 101.63 2nne n GLY 115 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2nne n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nne n GLU 116 N -2.20 0.78 -3.71 1.61 1.02 -0.05 -5.15 120.64 112.95 2nne n GLU 116 Ca 0.00 -2.47 -0.11 0.00 -0.02 0.00 0.00 57.16 54.56 2nne n GLU 116 Cb 0.00 0.03 -0.06 0.00 -0.02 0.00 0.00 31.44 31.39 2nne n GLU 116 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2nne s THR 117 N -1.87 0.08 0.14 2.62 -1.32 -1.26 -2.52 115.64 111.51 2nne s THR 117 Ca 0.36 -0.66 -0.14 0.00 -1.21 0.00 0.00 61.69 60.03 2nne s THR 117 Cb -0.03 -1.08 0.02 0.00 -1.51 0.00 0.00 72.50 69.90 2nne s THR 117 CO 0.23 -0.37 0.38 0.72 -2.21 0.00 0.00 174.62 173.36 2nne s PHE 118 N -3.15 -0.03 -0.10 9.09 -0.12 -0.74 -5.00 117.98 117.93 2nne s PHE 118 Ca -0.01 -0.32 -0.09 0.00 -0.05 0.00 0.00 56.93 56.46 2nne s PHE 118 Cb 0.01 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.54 2nne s PHE 118 CO -0.07 -0.73 0.21 -0.65 -0.05 0.00 0.00 175.22 173.93 2nne s GLN 119 N -3.86 3.65 -0.03 1.99 -0.21 -1.26 -1.39 119.66 118.55 2nne s GLN 119 Ca 0.07 0.01 0.05 0.00 0.02 0.00 0.00 55.36 55.52 2nne s GLN 119 Cb 0.02 -3.22 -0.01 0.00 1.00 0.00 0.00 33.01 30.79 2nne s GLN 119 CO -0.08 0.70 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.44 2nne s LEU 120 N -0.88 1.99 -0.02 2.90 1.98 0.22 -2.56 118.68 122.31 2nne s LEU 120 Ca 0.17 -0.36 0.07 0.00 -2.89 0.00 0.00 54.13 51.12 2nne s LEU 120 Cb -0.13 -1.00 -0.02 0.00 0.66 0.00 0.00 46.19 45.70 2nne s LEU 120 CO 0.06 0.20 -0.24 -0.04 -1.89 0.00 0.00 176.35 174.44 2nne s MET 121 N -0.25 1.97 0.00 1.98 -1.94 0.46 -0.20 119.30 121.33 2nne s MET 121 Ca 0.02 -0.85 0.05 0.00 -1.71 0.00 0.00 55.69 53.20 2nne s MET 121 Cb -0.09 -1.89 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 2nne s MET 121 CO 0.01 0.50 -0.15 0.20 -0.01 0.00 0.00 175.02 175.57 2nne s GLY 122 N -0.53 0.75 -0.19 -0.03 0.00 -0.51 -0.46 107.32 106.35 2nne s GLY 122 Ca 0.08 -0.69 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 2nne s GLY 122 CO -0.01 -0.61 -0.11 -2.27 0.00 0.00 0.00 173.10 170.11 2nne s LEU 123 N -0.56 2.61 0.05 0.66 2.96 0.21 -1.21 118.68 123.40 2nne s LEU 123 Ca 0.05 -0.47 0.09 0.00 -0.22 0.00 0.00 54.13 53.57 2nne s LEU 123 Cb -0.06 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2nne s LEU 123 CO -0.00 0.01 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.50 2nne s TYR 124 N 1.25 2.41 0.10 5.38 2.02 0.22 -0.82 117.35 127.90 2nne s TYR 124 Ca 0.03 -0.35 0.08 0.00 -0.37 0.00 0.00 57.07 56.45 2nne s TYR 124 Cb -0.14 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 2nne s TYR 124 CO -0.05 0.19 -0.21 0.20 -1.57 0.00 0.00 175.55 174.11 2nne s GLY 125 N -1.37 1.21 0.30 0.71 0.00 -0.13 -0.88 107.32 107.15 2nne s GLY 125 Ca 0.13 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.66 2nne s GLY 125 CO 0.03 -1.23 1.75 3.21 0.00 0.00 0.00 173.10 176.87 2nne h ARG 126 N 4.11 0.44 -6.42 2.90 2.47 -1.39 0.18 114.38 116.67 2nne h ARG 126 Ca -0.46 -0.16 -0.42 0.00 -1.26 0.00 0.00 59.98 57.68 2nne h ARG 126 Cb 1.18 -0.03 0.02 0.00 -1.65 0.00 0.00 29.97 29.49 2nne h ARG 126 CO 0.40 0.65 -0.27 -1.21 0.56 0.00 0.00 179.97 180.09 2nne s GLU 127 N -4.53 2.85 0.00 0.04 2.02 -1.26 -4.66 118.70 113.16 2nne s GLU 127 Ca -0.07 -1.23 0.12 0.00 0.02 0.00 0.00 54.97 53.81 2nne s GLU 127 Cb 0.14 -2.75 0.69 0.00 0.10 0.00 0.00 34.13 32.30 2nne s GLU 127 CO 0.78 -0.24 1.15 -2.30 0.02 0.00 0.00 175.26 174.68 2nne n PRO 128 N -1.82 0.34 -4.01 0.39 -0.02 -1.26 -4.56 135.00 124.06 2nne n PRO 128 Ca 0.07 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 2nne n PRO 128 Cb 0.59 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.52 2nne n PRO 128 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2nne s ASP 129 N -2.07 0.07 0.14 2.55 -1.08 -1.26 -4.79 116.67 110.23 2nne s ASP 129 Ca 0.17 -1.03 0.02 0.00 -0.52 0.00 0.00 52.55 51.18 2nne s ASP 129 Cb 0.08 0.61 -0.04 0.00 -1.46 0.00 0.00 42.92 42.10 2nne s ASP 129 CO 0.14 -1.19 -0.02 -0.76 0.52 0.00 0.00 175.17 173.87 2nne s LEU 130 N -3.06 2.22 0.71 -1.34 1.43 -1.26 -4.83 118.68 112.55 2nne s LEU 130 Ca 0.24 -1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.07 2nne s LEU 130 Cb -0.01 -0.04 0.03 0.00 0.03 0.00 0.00 46.19 46.20 2nne s LEU 130 CO 0.11 -0.55 1.16 -0.94 0.23 0.00 0.00 176.35 176.36 2nne s SER 131 N -3.12 4.57 0.33 2.29 1.04 -1.26 -4.86 113.70 112.70 2nne s SER 131 Ca 0.20 2.17 0.06 0.00 0.48 0.00 0.00 55.95 58.85 2nne s SER 131 Cb 0.06 -2.57 0.71 0.00 0.10 0.00 0.00 66.02 64.32 2nne s SER 131 CO 0.01 -2.00 1.88 0.77 0.98 0.00 0.00 173.24 174.88 2nne h SER 132 N -0.23 0.76 -0.18 7.02 4.64 -2.01 -1.59 113.55 121.96 2nne h SER 132 Ca -0.47 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 60.91 2nne h SER 132 Cb 1.27 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2nne h SER 132 CO 0.51 0.41 0.04 0.44 -0.87 0.00 0.00 176.83 177.37 2nne h ASP 133 N 0.82 0.03 -0.61 4.97 3.32 -1.99 0.04 116.42 122.99 2nne h ASP 133 Ca 0.44 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.42 2nne h ASP 133 Cb 0.55 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 2nne h ASP 133 CO -0.20 0.04 0.02 0.40 -1.72 0.00 0.00 179.24 177.78 2nne h ILE 134 N 0.12 1.27 -0.77 0.35 2.04 -1.81 -1.16 117.51 117.55 2nne h ILE 134 Ca 0.08 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.84 2nne h ILE 134 Cb 0.07 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2nne h ILE 134 CO -0.10 0.41 0.51 0.11 0.00 0.00 0.00 178.15 179.08 2nne h LYS 135 N 0.96 0.97 -0.39 2.37 1.57 -1.00 -1.17 116.57 119.88 2nne h LYS 135 Ca 0.18 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2nne h LYS 135 Cb 0.53 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2nne h LYS 135 CO 0.03 0.64 -0.11 1.49 -0.57 0.00 0.00 179.45 180.92 2nne h GLU 136 N 0.99 0.76 -0.79 3.15 4.57 -0.48 -1.68 114.58 121.10 2nne h GLU 136 Ca 0.29 -0.30 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2nne h GLU 136 Cb -0.04 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.46 2nne h GLU 136 CO -0.07 0.91 0.52 0.00 -1.18 0.00 0.00 179.01 179.18 2nne h ARG 137 N 0.56 0.79 -0.48 1.92 3.08 -0.74 -0.78 114.38 118.74 2nne h ARG 137 Ca 0.10 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2nne h ARG 137 Cb 0.64 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2nne h ARG 137 CO 0.04 0.53 -0.00 0.35 -1.07 0.00 0.00 179.97 179.81 2nne h PHE 138 N 0.82 0.93 -0.76 3.04 3.57 -0.87 -1.74 116.94 121.92 2nne h PHE 138 Ca 0.35 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2nne h PHE 138 Cb 0.31 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2nne h PHE 138 CO -0.00 0.89 0.45 0.00 -2.23 0.00 0.00 178.31 177.42 2nne h ALA 139 N 0.92 1.36 -0.69 2.41 0.00 -0.36 0.06 119.26 122.97 2nne h ALA 139 Ca 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2nne h ALA 139 Cb 0.52 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2nne h ALA 139 CO 0.03 0.55 0.17 1.96 0.00 0.00 0.00 179.25 181.95 2nne h GLN 140 N 1.05 1.10 -0.63 0.00 1.08 -0.90 -1.51 115.11 115.30 2nne h GLN 140 Ca 0.27 -0.26 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 2nne h GLN 140 Cb -0.03 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 2nne h GLN 140 CO -0.05 0.97 0.08 1.25 -0.95 0.00 0.00 178.83 180.13 2nne h LEU 141 N 1.03 1.03 -0.73 1.46 5.85 -0.57 -1.95 115.31 121.43 2nne h LEU 141 Ca 0.22 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2nne h LEU 141 Cb 0.37 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2nne h LEU 141 CO 0.00 1.04 0.48 0.00 -0.34 0.00 0.00 178.44 179.63 2nne h GLU 143 N 1.00 1.23 0.00 0.00 4.81 -0.94 -0.50 114.58 120.18 2nne h GLU 143 Ca 0.27 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2nne h GLU 143 Cb -0.10 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.00 2nne h GLU 143 CO -0.06 0.82 -0.00 0.93 -0.73 0.00 0.00 179.01 179.97 2nne h GLU 144 N 1.27 0.00 -0.46 1.92 5.08 -0.86 -1.64 114.58 119.88 2nne h GLU 144 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2nne h GLU 144 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2nne h GLU 144 CO -0.11 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.62 2nne n HIS 145 N -3.11 0.88 -1.87 4.33 8.25 -0.33 -4.96 115.22 118.41 2nne n HIS 145 Ca -0.02 -0.60 -0.07 0.00 -0.26 0.00 0.00 57.72 56.77 2nne n HIS 145 Cb 0.13 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2nne n HIS 145 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nne n GLY 146 N 0.62 0.31 3.37 -1.41 0.00 -0.62 -5.02 105.19 102.45 2nne n GLY 146 Ca 0.19 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 2nne n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nne s ILE 147 N -2.30 4.08 0.53 -0.61 1.01 -0.40 -4.95 121.20 118.56 2nne s ILE 147 Ca 0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.89 2nne s ILE 147 Cb 0.00 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 2nne s ILE 147 CO 0.00 0.14 1.15 -0.76 0.00 0.00 0.00 174.94 175.47 2nne s LEU 148 N 1.53 3.80 0.48 2.97 1.43 -1.26 -3.59 118.68 124.05 2nne s LEU 148 Ca 0.04 2.24 0.20 0.00 -1.03 0.00 0.00 54.13 55.58 2nne s LEU 148 Cb -0.17 -4.50 1.22 0.00 0.03 0.00 0.00 46.19 42.78 2nne s LEU 148 CO 0.03 -1.19 1.96 0.03 0.23 0.00 0.00 176.35 177.41 2nne h ARG 149 N 1.37 0.20 0.00 1.70 3.08 -1.95 0.32 114.38 119.10 2nne h ARG 149 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2nne h ARG 149 Cb 1.26 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2nne h ARG 149 CO 0.57 0.13 0.00 -0.85 -1.07 0.00 0.00 179.97 178.76 2nne n GLU 150 N -4.43 0.10 -0.64 0.04 0.28 -1.26 -1.10 120.64 113.64 2nne n GLU 150 Ca 0.12 0.42 0.08 0.00 -0.16 0.00 0.00 57.16 57.62 2nne n GLU 150 Cb 0.56 -1.73 0.34 0.00 1.43 0.00 0.00 31.44 32.04 2nne n GLU 150 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2nne n ASN 151 N -1.93 4.77 -4.40 -1.84 5.03 0.10 -4.89 115.26 112.09 2nne n ASN 151 Ca 0.02 -2.68 -0.35 0.00 0.87 0.00 0.00 54.58 52.44 2nne n ASN 151 Cb 0.15 -0.58 -0.13 0.00 -1.02 0.00 0.00 39.78 38.20 2nne n ASN 151 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2nne s ILE 152 N -2.27 3.63 -0.24 2.41 1.01 -0.26 -2.26 121.20 123.22 2nne s ILE 152 Ca 0.48 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2nne s ILE 152 Cb 0.34 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 40.24 2nne s ILE 152 CO 0.18 0.45 -0.12 -0.63 0.00 0.00 0.00 174.94 174.82 2nne s ILE 153 N 0.99 2.22 -0.16 2.92 1.01 0.82 -5.01 121.20 123.99 2nne s ILE 153 Ca 0.00 -1.44 -0.29 0.00 0.00 0.00 0.00 60.65 58.92 2nne s ILE 153 Cb -0.15 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 2nne s ILE 153 CO 0.01 0.10 1.21 -0.62 0.00 0.00 0.00 174.94 175.64 2nne s ASP 154 N 1.16 6.99 -0.03 3.58 -1.08 -1.26 -1.51 116.67 124.52 2nne s ASP 154 Ca -0.05 1.65 0.13 0.00 -0.52 0.00 0.00 52.55 53.75 2nne s ASP 154 Cb -0.18 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.11 2nne s ASP 154 CO -0.07 -0.72 1.31 0.18 0.52 0.00 0.00 175.17 176.40 2nne n LEU 155 N 6.34 3.22 0.29 -1.34 4.77 0.10 -4.56 117.00 125.82 2nne n LEU 155 Ca 0.13 -2.19 0.18 0.00 -0.03 0.00 0.00 56.01 54.10 2nne n LEU 155 Cb 0.45 -0.31 0.82 0.00 -2.33 0.00 0.00 43.42 42.05 2nne n LEU 155 CO 0.55 0.74 1.03 0.77 -1.33 0.00 0.00 177.39 179.15 2nne h SER 156 N 2.19 0.00 0.47 -1.43 4.64 -1.77 -2.20 113.55 115.45 2nne h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nne h SER 156 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2nne h SER 156 CO 0.05 0.02 -0.95 -0.46 -0.87 0.00 0.00 176.83 174.62 2nne n ASN 157 N -3.14 0.63 -0.17 4.97 6.94 -1.26 -4.97 115.26 118.25 2nne n ASN 157 Ca -0.01 -0.20 0.15 0.00 -0.02 0.00 0.00 54.58 54.50 2nne n ASN 157 Cb 0.25 0.70 0.80 0.00 -2.36 0.00 0.00 39.78 39.16 2nne n ASN 157 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23