#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 s PHE -8 N 0.00 2.21 -0.35 3.69 5.36 -1.26 -4.99 117.98 122.64 3d29 s PHE -8 Ca 0.00 0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 56.24 3d29 s PHE -8 Cb 0.00 -3.83 0.01 0.00 -0.34 0.00 0.00 43.02 38.86 3d29 s PHE -8 CO 0.00 -3.41 0.19 1.21 -1.46 0.00 0.00 175.22 171.76 3d29 s ASN -7 N 2.95 5.70 0.00 6.13 3.04 -1.26 -4.97 114.94 126.54 3d29 s ASN -7 Ca 0.70 -0.79 0.21 0.00 0.04 0.00 0.00 52.86 53.02 3d29 s ASN -7 Cb -0.32 -2.03 1.13 0.00 -1.54 0.00 0.00 41.25 38.49 3d29 s ASN -7 CO 0.27 -0.31 1.67 -0.81 -3.04 0.00 0.00 177.10 174.88 3d29 n PRO -6 N 5.01 0.41 -4.28 0.43 -0.04 -1.26 -4.83 135.00 130.44 3d29 n PRO -6 Ca -0.13 0.06 -0.29 0.00 -0.04 0.00 0.00 63.50 63.11 3d29 n PRO -6 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 3d29 n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3d29 s TYR -5 N -2.40 2.63 0.33 0.54 1.51 -1.26 -5.10 117.35 113.59 3d29 s TYR -5 Ca 0.24 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 56.13 3d29 s TYR -5 Cb 0.14 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 3d29 s TYR -5 CO 0.30 0.44 0.22 0.20 -1.11 0.00 0.00 175.55 175.60 3d29 s GLY -4 N -2.39 2.25 -0.06 0.71 0.00 -1.26 -5.16 107.32 101.41 3d29 s GLY -4 Ca 0.21 -1.83 -0.00 0.00 0.00 0.00 0.00 44.72 43.10 3d29 s GLY -4 CO 0.13 -1.55 -0.03 -0.35 0.00 0.00 0.00 173.10 171.30 3d29 s ASP -3 N -3.39 1.30 0.00 1.64 3.68 -1.26 -4.21 116.67 114.42 3d29 s ASP -3 Ca 0.37 -0.13 0.12 0.00 2.13 0.00 0.00 52.55 55.04 3d29 s ASP -3 Cb 0.03 -0.48 0.33 0.00 -1.45 0.00 0.00 42.92 41.36 3d29 s ASP -3 CO 0.22 -0.11 1.27 0.59 0.13 0.00 0.00 175.17 177.27 3d29 n ASN -2 N 4.55 3.00 0.00 -0.34 4.13 -0.96 -4.45 115.26 121.19 3d29 n ASN -2 Ca -0.17 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.11 3d29 n ASN -2 Cb 0.50 -0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 3d29 n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d29 n GLY -1 N 0.63 1.26 0.45 7.41 0.00 -1.26 -1.56 105.19 112.12 3d29 n GLY -1 Ca 0.13 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.52 3d29 n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d29 n GLY 1 N 0.00 -2.07 3.37 -0.02 0.00 -1.19 -4.46 105.19 100.81 3d29 n GLY 1 Ca 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 3d29 n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d29 s THR 2 N -2.26 0.03 0.12 2.61 2.01 -1.26 -1.46 115.64 115.44 3d29 s THR 2 Ca 0.00 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.74 3d29 s THR 2 Cb 0.00 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3d29 s THR 2 CO 0.00 -0.15 -0.02 0.27 -0.69 0.00 0.00 174.62 174.03 3d29 s ILE 3 N -1.50 0.57 -0.20 1.82 -4.36 0.10 -2.28 121.20 115.35 3d29 s ILE 3 Ca -0.11 -1.94 -0.20 0.00 -0.26 0.00 0.00 60.65 58.14 3d29 s ILE 3 Cb -0.02 -1.86 0.06 0.00 1.25 0.00 0.00 42.46 41.88 3d29 s ILE 3 CO 0.05 -0.70 0.57 -0.22 0.24 0.00 0.00 174.94 174.89 3d29 s LEU 4 N -3.08 -0.19 -0.07 0.37 2.96 0.64 0.15 118.68 119.45 3d29 s LEU 4 Ca 0.17 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.21 3d29 s LEU 4 Cb 0.06 1.98 0.01 0.00 0.50 0.00 0.00 46.19 48.75 3d29 s LEU 4 CO -0.01 -0.23 -0.11 -0.83 -1.32 0.00 0.00 176.35 173.85 3d29 s GLY 5 N 0.19 0.78 -0.05 7.98 0.00 0.69 -0.12 107.32 116.79 3d29 s GLY 5 Ca -0.01 -0.41 0.06 0.00 0.00 0.00 0.00 44.72 44.36 3d29 s GLY 5 CO 0.01 0.20 -0.23 -0.42 0.00 0.00 0.00 173.10 172.66 3d29 s ILE 6 N 0.77 1.91 -0.18 0.90 -1.09 -0.72 -0.85 121.20 121.95 3d29 s ILE 6 Ca -0.13 -1.00 -0.05 0.00 -2.23 0.00 0.00 60.65 57.24 3d29 s ILE 6 Cb -0.15 -1.61 -0.03 0.00 -1.58 0.00 0.00 42.46 39.08 3d29 s ILE 6 CO 0.02 0.53 0.01 0.00 -1.23 0.00 0.00 174.94 174.28 3d29 s ALA 7 N -0.23 3.15 0.51 9.38 0.00 1.00 -0.37 121.76 135.21 3d29 s ALA 7 Ca -0.01 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.20 3d29 s ALA 7 Cb -0.12 -1.74 0.08 0.00 0.00 0.00 0.00 23.12 21.34 3d29 s ALA 7 CO 0.02 0.11 0.65 0.41 0.00 0.00 0.00 175.76 176.96 3d29 n GLY 8 N 3.70 2.11 0.25 0.00 0.00 0.16 -4.92 105.19 106.49 3d29 n GLY 8 Ca -0.17 -2.23 -0.05 0.00 0.00 0.00 0.00 46.02 43.57 3d29 n GLY 8 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3d29 h GLU 9 N 0.00 0.63 0.00 1.61 4.81 -1.92 -2.12 114.58 117.58 3d29 h GLU 9 Ca -0.26 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 3d29 h GLU 9 Cb 1.12 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.34 3d29 h GLU 9 CO 0.37 0.81 -0.60 -0.40 -0.73 0.00 0.00 179.01 178.46 3d29 n ASP 10 N -4.12 0.80 -3.17 1.04 5.75 -1.26 -2.97 116.55 112.63 3d29 n ASP 10 Ca -0.00 -2.34 -0.08 0.00 -0.01 0.00 0.00 54.79 52.36 3d29 n ASP 10 Cb 0.41 -0.30 0.01 0.00 -1.03 0.00 0.00 41.12 40.22 3d29 n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3d29 s PHE 11 N -0.71 0.04 0.03 2.11 -0.12 -1.25 -4.44 117.98 113.64 3d29 s PHE 11 Ca 0.19 -0.66 -0.26 0.00 -0.05 0.00 0.00 56.93 56.15 3d29 s PHE 11 Cb 0.20 0.80 0.06 0.00 -0.63 0.00 0.00 43.02 43.45 3d29 s PHE 11 CO -0.06 -1.47 0.60 0.00 -0.05 0.00 0.00 175.22 174.25 3d29 s ALA 12 N -2.69 -1.57 0.09 1.99 0.00 -0.81 0.39 121.76 119.15 3d29 s ALA 12 Ca 0.15 0.89 0.06 0.00 0.00 0.00 0.00 51.96 53.06 3d29 s ALA 12 Cb -0.05 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3d29 s ALA 12 CO 0.10 -0.50 -0.15 0.14 0.00 0.00 0.00 175.76 175.35 3d29 s VAL 13 N -2.14 1.27 -0.13 0.00 -7.23 0.50 -0.51 120.40 112.17 3d29 s VAL 13 Ca -0.07 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 58.61 3d29 s VAL 13 Cb -0.01 -1.28 0.05 0.00 0.56 0.00 0.00 36.38 35.70 3d29 s VAL 13 CO 0.01 -0.25 0.06 -0.22 -0.31 0.00 0.00 175.10 174.39 3d29 s LEU 14 N -1.97 0.46 0.25 1.32 0.20 -0.69 -1.75 118.68 116.51 3d29 s LEU 14 Ca 0.02 -0.39 0.11 0.00 0.69 0.00 0.00 54.13 54.56 3d29 s LEU 14 Cb -0.09 -0.30 -0.05 0.00 -0.43 0.00 0.00 46.19 45.33 3d29 s LEU 14 CO 0.03 -0.30 -0.19 0.00 -0.29 0.00 0.00 176.35 175.60 3d29 s ALA 15 N 2.08 2.58 -0.06 5.97 0.00 0.82 -1.76 121.76 131.39 3d29 s ALA 15 Ca 0.03 -1.80 -0.30 0.00 0.00 0.00 0.00 51.96 49.88 3d29 s ALA 15 Cb -0.15 -0.23 0.09 0.00 0.00 0.00 0.00 23.12 22.83 3d29 s ALA 15 CO -0.07 0.26 0.77 0.20 0.00 0.00 0.00 175.76 176.92 3d29 s GLY 16 N -3.36 -0.49 0.91 0.00 0.00 -0.96 -0.26 107.32 103.15 3d29 s GLY 16 Ca 0.27 1.43 -0.13 0.00 0.00 0.00 0.00 44.72 46.30 3d29 s GLY 16 CO 0.13 0.89 1.16 0.51 0.00 0.00 0.00 173.10 175.79 3d29 s ASP 17 N -1.35 3.58 -0.10 1.64 3.84 -0.96 -1.83 116.67 121.48 3d29 s ASP 17 Ca -0.07 0.85 0.13 0.00 -0.00 0.00 0.00 52.55 53.46 3d29 s ASP 17 Cb -0.00 -1.35 0.35 0.00 -1.38 0.00 0.00 42.92 40.55 3d29 s ASP 17 CO 0.05 -2.50 1.27 0.35 -0.00 0.00 0.00 175.17 174.35 3d29 n THR 18 N -3.71 1.68 -3.02 2.11 -2.24 0.23 -4.70 114.28 104.63 3d29 n THR 18 Ca 0.08 -1.58 -0.40 0.00 -2.27 0.00 0.00 64.05 59.89 3d29 n THR 18 Cb 0.60 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 3d29 n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3d29 s ARG 19 N -2.07 4.48 -0.12 -0.78 3.52 -1.25 -1.73 118.95 120.99 3d29 s ARG 19 Ca 0.29 1.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.93 3d29 s ARG 19 Cb 0.22 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.30 3d29 s ARG 19 CO 0.09 0.38 -0.11 1.21 -0.81 0.00 0.00 175.30 176.06 3d29 s ASN 20 N -0.40 2.37 0.33 -2.12 3.84 -0.39 -4.22 114.94 114.36 3d29 s ASN 20 Ca 0.36 -0.39 0.05 0.00 0.21 0.00 0.00 52.86 53.10 3d29 s ASN 20 Cb -0.21 -1.00 -0.07 0.00 -0.55 0.00 0.00 41.25 39.43 3d29 s ASN 20 CO 0.23 -0.06 0.03 0.27 -2.79 0.00 0.00 177.10 174.77 3d29 s ILE 21 N 1.44 1.42 -0.17 -5.21 -5.25 -0.60 0.15 121.20 112.99 3d29 s ILE 21 Ca 0.02 -2.02 -0.04 0.00 -0.99 0.00 0.00 60.65 57.62 3d29 s ILE 21 Cb -0.13 -2.77 0.08 0.00 2.95 0.00 0.00 42.46 42.59 3d29 s ILE 21 CO -0.07 -0.06 0.20 -0.89 -1.79 0.00 0.00 174.94 172.33 3d29 s THR 22 N -3.14 -0.30 0.00 8.37 2.01 -0.70 -4.01 115.64 117.88 3d29 s THR 22 Ca 0.35 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.38 3d29 s THR 22 Cb 0.08 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 72.03 3d29 s THR 22 CO 0.15 -0.10 0.00 0.47 -0.69 0.00 0.00 174.62 174.45 3d29 n ASP 23 N 5.32 0.00 -1.46 3.53 10.43 -1.26 -1.27 116.55 131.83 3d29 n ASP 23 Ca -0.05 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.38 3d29 n ASP 23 Cb 0.50 0.00 0.34 0.00 1.84 0.00 0.00 41.12 43.80 3d29 n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3d29 n TYR 24 N 14.00 1.53 -4.33 1.24 4.02 -1.26 -4.97 117.16 127.39 3d29 n TYR 24 Ca 0.00 -0.74 -0.27 0.00 -0.01 0.00 0.00 57.90 56.89 3d29 n TYR 24 Cb 0.00 -0.37 -0.10 0.00 -0.02 0.00 0.00 39.34 38.85 3d29 n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3d29 s SER 25 N -1.17 3.98 -0.22 7.72 0.01 -0.40 -5.11 113.70 118.51 3d29 s SER 25 Ca 0.49 -0.67 -0.11 0.00 1.31 0.00 0.00 55.95 56.97 3d29 s SER 25 Cb 0.36 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 3d29 s SER 25 CO 0.16 0.11 0.18 -0.63 0.41 0.00 0.00 173.24 173.47 3d29 s ILE 26 N -1.67 5.36 -0.04 1.44 1.01 -1.26 -1.72 121.20 124.30 3d29 s ILE 26 Ca 0.23 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.09 3d29 s ILE 26 Cb -0.09 -3.52 -0.28 0.00 0.01 0.00 0.00 42.46 38.59 3d29 s ILE 26 CO 0.13 0.36 0.67 0.78 0.00 0.00 0.00 174.94 176.88 3d29 h ASN 27 N 7.25 0.42 -4.32 3.58 2.35 -0.62 -3.48 115.58 120.75 3d29 h ASN 27 Ca -0.39 -0.69 -0.03 0.00 -0.55 0.00 0.00 56.30 54.64 3d29 h ASN 27 Cb 1.16 -0.14 -0.21 0.00 0.05 0.00 0.00 38.32 39.19 3d29 h ASN 27 CO 0.69 1.59 0.20 -0.55 -1.65 0.00 0.00 177.43 177.71 3d29 s SER 28 N -6.98 -0.67 0.14 5.81 0.15 -0.93 -5.00 113.70 106.21 3d29 s SER 28 Ca -0.14 1.08 0.23 0.00 0.70 0.00 0.00 55.95 57.83 3d29 s SER 28 Cb 0.06 1.02 0.12 0.00 -1.71 0.00 0.00 66.02 65.52 3d29 s SER 28 CO 0.83 -0.38 1.12 0.54 1.20 0.00 0.00 173.24 176.55 3d29 n ARG 29 N 1.89 0.43 -3.47 5.44 1.74 -1.26 -1.26 116.66 120.16 3d29 n ARG 29 Ca -0.16 0.08 -0.27 0.00 -0.77 0.00 0.00 57.85 56.73 3d29 n ARG 29 Cb 0.56 -1.72 -0.12 0.00 -1.02 0.00 0.00 32.46 30.15 3d29 n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3d29 s TYR 30 N -3.26 0.36 -0.35 -1.55 5.04 -1.14 -4.02 117.35 112.42 3d29 s TYR 30 Ca 0.03 -1.13 -0.00 0.00 -2.44 0.00 0.00 57.07 53.52 3d29 s TYR 30 Cb 0.12 -0.81 0.13 0.00 0.35 0.00 0.00 41.96 41.75 3d29 s TYR 30 CO 0.77 -0.85 0.19 -2.00 -1.34 0.00 0.00 175.55 172.32 3d29 s GLU 31 N 1.60 0.63 0.25 4.97 2.56 -0.71 -5.05 118.70 122.96 3d29 s GLU 31 Ca 0.14 -1.29 -0.24 0.00 0.00 0.00 0.00 54.97 53.58 3d29 s GLU 31 Cb -0.19 -1.51 -0.16 0.00 2.00 0.00 0.00 34.13 34.27 3d29 s GLU 31 CO -0.16 -1.15 0.35 -2.30 -0.56 0.00 0.00 175.26 171.44 3d29 n PRO 32 N 4.23 0.00 0.00 4.30 -0.02 -1.26 -4.77 135.00 137.48 3d29 n PRO 32 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3d29 n PRO 32 Cb 0.38 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 3d29 n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3d29 n LYS 33 N 1.05 3.25 -4.75 -0.52 4.81 -1.26 -5.03 118.16 115.71 3d29 n LYS 33 Ca 0.15 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.26 3d29 n LYS 33 Cb 0.28 -0.29 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 3d29 n LYS 33 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3d29 s VAL 34 N -0.51 3.13 0.11 3.15 1.01 -1.26 -4.44 120.40 121.59 3d29 s VAL 34 Ca 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.42 3d29 s VAL 34 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3d29 s VAL 34 CO 0.00 0.53 -0.20 -0.36 0.00 0.00 0.00 175.10 175.07 3d29 s PHE 35 N 0.25 1.75 -0.43 5.22 0.08 0.14 -4.95 117.98 120.04 3d29 s PHE 35 Ca -0.08 -0.43 -0.21 0.00 0.12 0.00 0.00 56.93 56.32 3d29 s PHE 35 Cb -0.15 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 3d29 s PHE 35 CO 0.05 0.21 0.69 0.34 -0.10 0.00 0.00 175.22 176.41 3d29 s ASP 36 N -1.98 6.38 0.00 1.36 3.68 -1.26 -0.78 116.67 124.06 3d29 s ASP 36 Ca 0.07 -0.16 0.26 0.00 2.13 0.00 0.00 52.55 54.84 3d29 s ASP 36 Cb -0.09 -2.34 0.64 0.00 -1.45 0.00 0.00 42.92 39.67 3d29 s ASP 36 CO 0.04 -0.79 1.50 0.00 0.13 0.00 0.00 175.17 176.06 3d29 n GLY 38 N 1.29 1.26 2.37 0.00 0.00 -1.24 -4.91 105.19 103.97 3d29 n GLY 38 Ca 0.15 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 3d29 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d29 n ASP 39 N 0.00 -3.91 -3.29 1.61 9.92 -1.26 -1.19 116.55 118.43 3d29 n ASP 39 Ca 0.00 0.20 -0.22 0.00 -0.53 0.00 0.00 54.79 54.25 3d29 n ASP 39 Cb 0.00 -3.36 0.07 0.00 -0.64 0.00 0.00 41.12 37.19 3d29 n ASP 39 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3d29 n ASN 40 N -1.62 -6.00 -4.08 -2.24 5.03 -1.26 -4.87 115.26 100.23 3d29 n ASN 40 Ca -0.15 -0.48 -0.30 0.00 0.87 0.00 0.00 54.58 54.53 3d29 n ASN 40 Cb 0.59 -4.63 -0.17 0.00 -1.02 0.00 0.00 39.78 34.55 3d29 n ASN 40 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3d29 s ILE 41 N -3.28 1.65 -0.01 2.41 1.01 -0.33 -4.36 121.20 118.28 3d29 s ILE 41 Ca 0.52 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.48 3d29 s ILE 41 Cb -0.23 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 3d29 s ILE 41 CO 0.65 0.47 -0.06 0.68 0.00 0.00 0.00 174.94 176.68 3d29 s VAL 42 N 1.04 3.71 0.04 2.92 -7.23 -0.65 -0.41 120.40 119.81 3d29 s VAL 42 Ca -0.04 -0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 59.38 3d29 s VAL 42 Cb -0.15 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 3d29 s VAL 42 CO -0.03 0.43 0.08 -0.32 -0.31 0.00 0.00 175.10 174.94 3d29 s MET 43 N -1.32 0.56 -0.21 4.82 0.00 0.04 -1.05 119.30 122.15 3d29 s MET 43 Ca 0.16 -0.76 -0.09 0.00 0.00 0.00 0.00 55.69 55.00 3d29 s MET 43 Cb -0.11 0.22 0.08 0.00 0.00 0.00 0.00 34.83 35.02 3d29 s MET 43 CO 0.07 -0.13 0.48 0.45 0.00 0.00 0.00 175.02 175.88 3d29 s SER 44 N -2.10 -0.55 -0.39 1.11 0.15 -0.43 -0.68 113.70 110.80 3d29 s SER 44 Ca -0.05 1.08 -0.00 0.00 0.70 0.00 0.00 55.95 57.68 3d29 s SER 44 Cb -0.01 1.21 0.11 0.00 -1.71 0.00 0.00 66.02 65.62 3d29 s SER 44 CO -0.04 -0.22 0.16 0.00 1.20 0.00 0.00 173.24 174.34 3d29 s ALA 45 N 2.01 3.08 -0.10 5.45 0.00 -1.26 -1.05 121.76 129.90 3d29 s ALA 45 Ca -0.06 -2.58 -0.09 0.00 0.00 0.00 0.00 51.96 49.22 3d29 s ALA 45 Cb -0.10 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 3d29 s ALA 45 CO -0.14 -1.78 0.21 1.21 0.00 0.00 0.00 175.76 175.26 3d29 s ASN 46 N 1.41 6.49 0.00 0.00 3.04 -0.47 -4.34 114.94 121.06 3d29 s ASN 46 Ca 0.10 0.58 0.00 0.00 0.04 0.00 0.00 52.86 53.58 3d29 s ASN 46 Cb -0.21 -2.12 0.00 0.00 -1.54 0.00 0.00 41.25 37.38 3d29 s ASN 46 CO -0.05 0.37 0.00 0.61 -3.04 0.00 0.00 177.10 174.99 3d29 n GLY 47 N 2.04 0.14 3.58 1.21 0.00 -1.26 -0.25 105.19 110.65 3d29 n GLY 47 Ca -0.18 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 3d29 n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d29 s PHE 48 N 0.00 2.79 0.36 1.61 5.36 -0.04 -2.25 117.98 125.81 3d29 s PHE 48 Ca 0.00 0.49 0.10 0.00 -0.96 0.00 0.00 56.93 56.56 3d29 s PHE 48 Cb 0.00 -4.30 0.86 0.00 -0.34 0.00 0.00 43.02 39.24 3d29 s PHE 48 CO 0.00 -1.31 1.84 0.00 -1.46 0.00 0.00 175.22 174.29 3d29 h ALA 49 N 9.27 1.89 -0.74 11.12 0.00 -1.88 0.20 119.26 139.11 3d29 h ALA 49 Ca -0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3d29 h ALA 49 Cb 1.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3d29 h ALA 49 CO 1.11 -0.17 0.41 0.00 0.00 0.00 0.00 179.25 180.60 3d29 h ALA 50 N 1.61 0.95 -0.31 0.00 0.00 -1.97 0.53 119.26 120.07 3d29 h ALA 50 Ca 0.49 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 3d29 h ALA 50 Cb 0.88 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3d29 h ALA 50 CO -0.24 0.46 -0.42 -0.44 0.00 0.00 0.00 179.25 178.61 3d29 h ASP 51 N 1.02 0.91 -0.54 0.00 3.45 -1.61 -2.61 116.42 117.04 3d29 h ASP 51 Ca 0.26 -0.50 0.04 0.00 0.43 0.00 0.00 57.03 57.26 3d29 h ASP 51 Cb 0.03 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 38.50 3d29 h ASP 51 CO -0.04 1.23 0.29 1.23 -1.57 0.00 0.00 179.24 180.37 3d29 h GLY 52 N 0.61 0.76 1.19 2.75 0.00 -0.44 -1.33 103.07 106.60 3d29 h GLY 52 Ca 0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 3d29 h GLY 52 CO 0.10 0.14 -0.09 -0.55 0.00 0.00 0.00 176.54 176.13 3d29 h ASP 53 N 0.56 0.95 -0.85 0.19 3.45 -0.91 -2.24 116.42 117.57 3d29 h ASP 53 Ca 0.23 -0.30 0.01 0.00 0.43 0.00 0.00 57.03 57.40 3d29 h ASP 53 Cb 0.12 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 38.59 3d29 h ASP 53 CO -0.15 1.06 0.55 0.00 -1.57 0.00 0.00 179.24 179.13 3d29 h ALA 54 N 1.03 1.07 0.53 3.45 0.00 -1.03 -0.71 119.26 123.61 3d29 h ALA 54 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3d29 h ALA 54 Cb 0.63 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3d29 h ALA 54 CO 0.04 0.49 -0.25 1.25 0.00 0.00 0.00 179.25 180.78 3d29 h LEU 55 N 1.15 -0.60 -0.93 0.00 5.85 -1.01 -0.39 115.31 119.38 3d29 h LEU 55 Ca 0.31 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.10 3d29 h LEU 55 Cb -0.12 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 3d29 h LEU 55 CO -0.07 -0.31 0.56 0.58 -0.34 0.00 0.00 178.44 178.87 3d29 h VAL 56 N -0.90 0.89 -0.50 1.05 2.07 -1.28 0.96 116.25 118.55 3d29 h VAL 56 Ca -0.07 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3d29 h VAL 56 Cb 0.61 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3d29 h VAL 56 CO 0.12 0.16 0.17 0.50 0.02 0.00 0.00 177.57 178.54 3d29 h LYS 57 N 0.89 0.77 -0.09 1.57 3.64 -1.02 -0.47 116.57 121.86 3d29 h LYS 57 Ca 0.46 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 3d29 h LYS 57 Cb 0.47 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3d29 h LYS 57 CO -0.27 0.71 -0.46 0.00 -2.27 0.00 0.00 179.45 177.16 3d29 h ARG 58 N 0.67 0.21 -0.08 1.90 3.08 0.21 -2.00 114.38 118.38 3d29 h ARG 58 Ca 0.16 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 3d29 h ARG 58 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3d29 h ARG 58 CO -0.01 0.63 -0.32 0.35 -1.07 0.00 0.00 179.97 179.56 3d29 h PHE 59 N 0.18 0.47 -0.80 3.04 3.57 -0.63 -2.32 116.94 120.46 3d29 h PHE 59 Ca 0.01 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 61.35 3d29 h PHE 59 Cb 0.88 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3d29 h PHE 59 CO 0.01 0.94 0.52 0.87 -2.23 0.00 0.00 178.31 178.42 3d29 h LYS 60 N -0.12 0.94 -0.03 1.11 1.57 -1.04 0.14 116.57 119.14 3d29 h LYS 60 Ca -0.02 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3d29 h LYS 60 Cb 0.96 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3d29 h LYS 60 CO 0.07 0.62 -0.35 -0.97 -0.57 0.00 0.00 179.45 178.25 3d29 h ASN 61 N 0.96 0.05 -0.37 0.86 -0.73 -1.32 -0.99 115.58 114.05 3d29 h ASN 61 Ca 0.32 -0.02 -0.15 0.00 1.87 0.00 0.00 56.30 58.32 3d29 h ASN 61 Cb 0.07 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 3d29 h ASN 61 CO -0.10 0.40 -0.34 -1.28 -0.37 0.00 0.00 177.43 175.75 3d29 h SER 62 N 0.05 0.96 -0.43 1.15 0.87 -0.21 -2.11 113.55 113.83 3d29 h SER 62 Ca 0.00 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 3d29 h SER 62 Cb 0.64 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3d29 h SER 62 CO 0.05 1.20 0.22 0.58 -0.53 0.00 0.00 176.83 178.35 3d29 h VAL 63 N 0.76 1.17 -0.43 2.23 2.07 -0.52 0.39 116.25 121.93 3d29 h VAL 63 Ca 0.07 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3d29 h VAL 63 Cb 0.92 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3d29 h VAL 63 CO 0.09 0.19 0.15 0.50 0.02 0.00 0.00 177.57 178.52 3d29 h LYS 64 N 0.56 0.31 -0.04 1.57 3.64 -1.02 -1.49 116.57 120.11 3d29 h LYS 64 Ca 0.15 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 3d29 h LYS 64 Cb 0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3d29 h LYS 64 CO -0.02 0.21 -0.57 -1.49 -2.27 0.00 0.00 179.45 175.31 3d29 h TRP 65 N 0.32 0.16 -0.57 1.91 4.06 -1.13 -2.45 115.95 118.25 3d29 h TRP 65 Ca 0.20 -0.06 0.03 0.00 2.06 0.00 0.00 58.89 61.13 3d29 h TRP 65 Cb 0.19 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.28 3d29 h TRP 65 CO -0.15 0.66 0.33 -0.92 -3.56 0.00 0.00 178.44 174.80 3d29 h TYR 66 N 0.09 0.61 -0.82 0.49 3.20 -0.03 0.29 116.97 120.80 3d29 h TYR 66 Ca -0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3d29 h TYR 66 Cb 1.03 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 3d29 h TYR 66 CO 0.01 0.34 0.39 0.45 -1.64 0.00 0.00 178.16 177.70 3d29 h HIS 67 N 0.65 1.20 0.76 -3.82 3.86 -1.03 0.15 115.15 116.91 3d29 h HIS 67 Ca 0.23 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3d29 h HIS 67 Cb 0.06 -0.37 0.01 0.00 1.06 0.00 0.00 27.41 28.17 3d29 h HIS 67 CO -0.07 0.87 -0.37 0.74 0.86 0.00 0.00 177.93 179.97 3d29 h PHE 68 N 1.17 -0.95 -0.02 2.45 0.04 -0.87 0.85 116.94 119.61 3d29 h PHE 68 Ca 0.28 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 61.03 3d29 h PHE 68 Cb 0.13 0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 3d29 h PHE 68 CO 0.01 -0.59 0.01 -0.44 -0.60 0.00 0.00 178.31 176.71 3d29 h ASP 69 N -1.27 0.00 -0.87 2.17 3.32 -0.39 -3.22 116.42 116.16 3d29 h ASP 69 Ca -0.10 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.41 3d29 h ASP 69 Cb 0.79 0.00 -0.43 0.00 0.22 0.00 0.00 39.33 39.91 3d29 h ASP 69 CO 0.17 0.00 -0.83 1.41 -1.72 0.00 0.00 179.24 178.27 3d29 n HIS 70 N -4.53 2.75 -3.76 4.55 8.25 0.53 -4.97 115.22 118.04 3d29 n HIS 70 Ca -0.03 -2.38 -0.24 0.00 -0.26 0.00 0.00 57.72 54.81 3d29 n HIS 70 Cb 0.11 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 30.97 3d29 n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3d29 n ASN 70 N -0.65 -2.79 -0.87 0.41 4.05 -1.11 -1.57 115.26 112.72 3d29 n ASN 70 Ca 0.40 -0.78 -0.11 0.00 0.45 0.00 0.00 54.58 54.54 3d29 n ASN 70 Cb 0.90 -4.11 -0.05 0.00 1.23 0.00 0.00 39.78 37.75 3d29 n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3d29 n ASP 71 N -2.98 -5.30 -4.73 1.20 8.00 0.29 -4.94 116.55 108.09 3d29 n ASP 71 Ca -0.16 0.28 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 3d29 n ASP 71 Cb 0.62 -3.80 -0.02 0.00 -0.02 0.00 0.00 41.12 37.89 3d29 n ASP 71 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3d29 n LYS 72 N -1.43 2.68 -1.90 -1.24 4.81 -0.61 -4.91 118.16 115.56 3d29 n LYS 72 Ca -0.11 0.96 -0.41 0.00 -0.87 0.00 0.00 58.31 57.88 3d29 n LYS 72 Cb 0.53 -2.76 -0.00 0.00 0.02 0.00 0.00 35.03 32.82 3d29 n LYS 72 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3d29 s LYS 73 N 0.12 4.09 -0.29 1.64 2.20 -1.26 -4.59 119.74 121.64 3d29 s LYS 73 Ca 0.69 2.42 -0.19 0.00 -0.36 0.00 0.00 55.97 58.53 3d29 s LYS 73 Cb -0.51 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 32.87 3d29 s LYS 73 CO 0.43 -0.49 0.55 -1.17 -0.36 0.00 0.00 175.35 174.31 3d29 s LEU 74 N -2.16 4.14 0.63 5.43 2.96 -1.26 -5.05 118.68 123.37 3d29 s LEU 74 Ca 0.54 0.38 -0.16 0.00 -0.22 0.00 0.00 54.13 54.66 3d29 s LEU 74 Cb -0.44 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 3d29 s LEU 74 CO 0.58 -0.39 1.12 -0.94 -1.32 0.00 0.00 176.35 175.40 3d29 s SER 75 N 1.62 5.27 0.31 3.68 1.04 -1.26 -4.82 113.70 119.54 3d29 s SER 75 Ca 0.22 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.72 3d29 s SER 75 Cb -0.15 -2.56 0.52 0.00 0.10 0.00 0.00 66.02 63.93 3d29 s SER 75 CO 0.11 -1.52 1.87 -0.29 0.98 0.00 0.00 173.24 174.38 3d29 h ILE 76 N 0.36 1.20 -0.11 -1.02 2.10 -1.93 0.30 117.51 118.40 3d29 h ILE 76 Ca -0.48 -0.74 -0.08 0.00 1.08 0.00 0.00 64.86 64.64 3d29 h ILE 76 Cb 1.25 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.72 3d29 h ILE 76 CO 0.55 0.27 -0.30 -0.55 -1.08 0.00 0.00 178.15 177.04 3d29 h ASN 77 N 0.67 0.21 -0.19 2.19 -1.07 -1.92 -1.50 115.58 113.98 3d29 h ASN 77 Ca 0.15 -0.07 -0.20 0.00 0.07 0.00 0.00 56.30 56.25 3d29 h ASN 77 Cb 0.27 -0.06 0.01 0.00 -2.07 0.00 0.00 38.32 36.46 3d29 h ASN 77 CO -0.00 0.51 -0.65 0.28 0.07 0.00 0.00 177.43 177.64 3d29 h SER 78 N 0.19 0.91 -0.93 6.14 0.02 -1.62 -2.68 113.55 115.57 3d29 h SER 78 Ca 0.03 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3d29 h SER 78 Cb 0.63 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 3d29 h SER 78 CO 0.05 1.35 0.60 0.00 -1.14 0.00 0.00 176.83 177.68 3d29 h ALA 79 N 0.59 1.31 -0.50 3.77 0.00 -0.68 -1.44 119.26 122.30 3d29 h ALA 79 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3d29 h ALA 79 Cb 1.27 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3d29 h ALA 79 CO 0.14 0.63 0.21 0.00 0.00 0.00 0.00 179.25 180.23 3d29 h ALA 80 N 1.39 0.65 -0.17 0.00 0.00 -1.20 0.90 119.26 120.83 3d29 h ALA 80 Ca 0.34 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3d29 h ALA 80 Cb -0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3d29 h ALA 80 CO -0.07 0.25 -0.26 -0.09 0.00 0.00 0.00 179.25 179.08 3d29 h ARG 81 N 0.67 0.31 -0.23 0.00 9.65 -1.10 -1.99 114.38 121.69 3d29 h ARG 81 Ca 0.17 -0.11 -0.09 0.00 -1.10 0.00 0.00 59.98 58.85 3d29 h ARG 81 Cb 0.17 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 3d29 h ARG 81 CO -0.02 0.55 -0.20 -0.97 2.80 0.00 0.00 179.97 182.14 3d29 h ASN 82 N 0.28 0.57 0.17 -3.80 -0.00 -0.63 -2.84 115.58 109.34 3d29 h ASN 82 Ca 0.04 -0.46 -0.03 0.00 -0.00 0.00 0.00 56.30 55.85 3d29 h ASN 82 Cb 0.61 -0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 38.76 3d29 h ASN 82 CO 0.04 0.91 -0.15 0.40 -0.00 0.00 0.00 177.43 178.63 3d29 h ILE 83 N 0.24 1.05 -0.58 2.57 2.04 -0.63 -1.60 117.51 120.60 3d29 h ILE 83 Ca 0.04 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 65.28 3d29 h ILE 83 Cb 0.74 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3d29 h ILE 83 CO 0.05 0.15 0.06 -0.61 0.00 0.00 0.00 178.15 177.81 3d29 h GLN 84 N 0.00 0.98 -0.14 2.37 4.15 -1.17 -0.91 115.11 120.39 3d29 h GLN 84 Ca -0.00 -0.28 -0.12 0.00 0.77 0.00 0.00 58.65 59.02 3d29 h GLN 84 Cb 0.28 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3d29 h GLN 84 CO 0.02 0.95 -0.42 0.45 -1.93 0.00 0.00 178.83 177.89 3d29 h HIS 85 N 0.87 0.39 -0.20 3.99 3.86 -1.11 0.16 115.15 123.13 3d29 h HIS 85 Ca 0.17 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3d29 h HIS 85 Cb 0.46 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 3d29 h HIS 85 CO 0.03 0.71 0.08 -0.07 0.86 0.00 0.00 177.93 179.54 3d29 h LEU 86 N 0.28 0.26 -0.09 2.43 3.38 -0.87 -0.75 115.31 119.95 3d29 h LEU 86 Ca 0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3d29 h LEU 86 Cb 0.87 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3d29 h LEU 86 CO 0.07 0.34 -0.11 -0.07 0.09 0.00 0.00 178.44 178.76 3d29 h LEU 87 N 0.17 0.25 -1.04 1.67 3.38 -1.01 -3.12 115.31 115.61 3d29 h LEU 87 Ca 0.07 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3d29 h LEU 87 Cb 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3d29 h LEU 87 CO -0.01 0.71 0.00 0.22 0.09 0.00 0.00 178.44 179.45 3d29 h TYR 88 N -0.21 0.00 0.00 1.13 5.03 -0.71 -1.40 116.97 120.82 3d29 h TYR 88 Ca 0.01 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 3d29 h TYR 88 Cb 0.65 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.93 3d29 h TYR 88 CO 0.10 0.00 -0.12 0.78 -1.32 0.00 0.00 178.16 177.60 3d29 h GLY 89 N 2.12 0.00 -3.31 1.82 0.00 -1.06 -1.24 103.07 101.40 3d29 h GLY 89 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 3d29 h GLY 89 CO 0.00 0.00 0.02 0.28 0.00 0.00 0.00 176.54 176.84 3d29 n LYS 90 N -3.77 2.67 -0.07 4.80 5.02 -0.53 -4.76 118.16 121.52 3d29 n LYS 90 Ca -0.02 -3.52 0.20 0.00 -2.02 0.00 0.00 58.31 52.95 3d29 n LYS 90 Cb 0.22 -2.13 0.64 0.00 -0.02 0.00 0.00 35.03 33.74 3d29 n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3d29 h ARG 91 N 1.66 0.12 -0.57 1.97 9.65 -1.26 0.20 114.38 126.15 3d29 h ARG 91 Ca 0.42 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.29 3d29 h ARG 91 Cb 1.47 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 3d29 h ARG 91 CO 0.92 0.08 0.00 1.19 2.80 0.00 0.00 179.97 184.96 3d29 n PHE 92 N -4.40 1.20 -2.69 2.20 3.72 -1.26 -4.43 117.46 111.80 3d29 n PHE 92 Ca 0.12 -0.61 -0.06 0.00 -0.05 0.00 0.00 57.45 56.86 3d29 n PHE 92 Cb 0.63 -0.18 0.09 0.00 -0.94 0.00 0.00 39.48 39.08 3d29 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3d29 n PHE 93 N 0.92 -1.54 -1.21 1.38 7.35 -0.55 -5.17 117.46 118.65 3d29 n PHE 93 Ca 0.23 -1.29 -0.36 0.00 -0.76 0.00 0.00 57.45 55.27 3d29 n PHE 93 Cb 0.78 1.36 0.08 0.00 0.35 0.00 0.00 39.48 42.05 3d29 n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3d29 n PRO 94 N 0.71 0.25 -2.84 -7.13 -0.02 0.58 -4.83 135.00 121.73 3d29 n PRO 94 Ca 0.01 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.20 3d29 n PRO 94 Cb 0.72 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 3d29 n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3d29 s TYR 95 N -1.96 3.34 -1.33 6.00 4.12 -1.26 -4.93 117.35 121.32 3d29 s TYR 95 Ca 0.66 1.23 -0.14 0.00 0.02 0.00 0.00 57.07 58.84 3d29 s TYR 95 Cb -0.33 -3.09 -0.03 0.00 -1.52 0.00 0.00 41.96 36.99 3d29 s TYR 95 CO 0.58 -0.38 2.34 0.66 0.02 0.00 0.00 175.55 178.77 3d29 n TYR 96 N 5.91 2.79 -4.02 2.71 4.02 -1.26 -4.81 117.16 122.49 3d29 n TYR 96 Ca 0.07 -2.71 -0.08 0.00 -0.01 0.00 0.00 57.90 55.16 3d29 n TYR 96 Cb 0.47 -2.32 -0.11 0.00 -0.02 0.00 0.00 39.34 37.37 3d29 n TYR 96 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3d29 s VAL 97 N 3.28 0.17 -0.28 -0.72 -7.23 -1.26 -0.86 120.40 113.51 3d29 s VAL 97 Ca 0.54 -1.25 -0.03 0.00 -1.81 0.00 0.00 61.98 59.43 3d29 s VAL 97 Cb 0.15 -0.73 0.03 0.00 0.56 0.00 0.00 36.38 36.38 3d29 s VAL 97 CO -0.04 -0.68 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.06 3d29 s HIS 98 N -2.35 3.15 0.09 2.82 3.76 0.65 -3.85 115.29 119.56 3d29 s HIS 98 Ca -0.07 -1.52 0.07 0.00 -0.15 0.00 0.00 55.06 53.38 3d29 s HIS 98 Cb -0.04 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 3d29 s HIS 98 CO -0.04 -0.72 -0.11 -0.08 -0.85 0.00 0.00 174.74 172.93 3d29 s THR 99 N 1.34 3.27 0.02 1.30 -1.32 -1.25 -1.37 115.64 117.63 3d29 s THR 99 Ca -0.01 -1.23 0.01 0.00 -1.21 0.00 0.00 61.69 59.26 3d29 s THR 99 Cb -0.18 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.30 3d29 s THR 99 CO -0.02 0.17 -0.05 -0.63 -2.21 0.00 0.00 174.62 171.88 3d29 s ILE 100 N -1.15 0.36 0.05 5.08 1.01 -0.21 0.21 121.20 126.56 3d29 s ILE 100 Ca 0.20 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.32 3d29 s ILE 100 Cb -0.11 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 3d29 s ILE 100 CO 0.12 -0.14 -0.10 0.27 0.00 0.00 0.00 174.94 175.08 3d29 s ILE 101 N -0.69 0.78 0.08 2.92 -4.36 0.53 -1.32 121.20 119.15 3d29 s ILE 101 Ca -0.04 -1.12 0.03 0.00 -0.26 0.00 0.00 60.65 59.26 3d29 s ILE 101 Cb -0.05 -0.79 -0.03 0.00 1.25 0.00 0.00 42.46 42.83 3d29 s ILE 101 CO -0.00 -0.28 -0.10 0.00 0.24 0.00 0.00 174.94 174.81 3d29 s ALA 102 N -1.25 1.00 0.00 2.27 0.00 -0.21 -1.03 121.76 122.54 3d29 s ALA 102 Ca -0.06 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3d29 s ALA 102 Cb -0.10 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.06 3d29 s ALA 102 CO 0.01 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.14 3d29 n GLY 103 N 0.73 -0.80 3.10 0.00 0.00 -0.24 -1.64 105.19 106.34 3d29 n GLY 103 Ca -0.17 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 3d29 n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d29 s LEU 104 N 0.00 1.99 1.11 0.99 1.43 -1.26 -0.34 118.68 122.59 3d29 s LEU 104 Ca 0.00 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 3d29 s LEU 104 Cb 0.00 -0.74 0.26 0.00 0.03 0.00 0.00 46.19 45.73 3d29 s LEU 104 CO 0.00 0.16 1.22 1.51 0.23 0.00 0.00 176.35 179.47 3d29 s ASP 105 N -0.23 1.80 0.00 2.29 1.47 0.24 -4.49 116.67 117.75 3d29 s ASP 105 Ca 0.04 0.39 0.10 0.00 1.18 0.00 0.00 52.55 54.26 3d29 s ASP 105 Cb -0.07 -0.49 0.58 0.00 -0.34 0.00 0.00 42.92 42.61 3d29 s ASP 105 CO -0.00 -3.56 1.00 -0.62 0.68 0.00 0.00 175.17 172.67 3d29 n GLU 106 N -4.34 0.41 -0.12 2.11 1.02 -1.26 -1.56 120.64 116.91 3d29 n GLU 106 Ca 0.15 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 3d29 n GLU 106 Cb 0.59 -1.37 0.10 0.00 -0.02 0.00 0.00 31.44 30.75 3d29 n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3d29 n ASP 10 N -0.87 2.59 0.00 1.62 10.43 -1.26 -4.98 116.55 124.08 3d29 n ASP 10 Ca 0.07 -2.13 0.00 0.00 2.57 0.00 0.00 54.79 55.31 3d29 n ASP 10 Cb 0.03 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 42.82 3d29 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d29 n GLY 10 N -0.06 2.07 3.80 0.44 0.00 -0.60 -5.03 105.19 105.80 3d29 n GLY 10 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3d29 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d29 s LYS 107 N -0.12 3.80 0.40 1.61 -0.14 -1.26 -4.51 119.74 119.52 3d29 s LYS 107 Ca 0.00 1.37 -0.27 0.00 -1.36 0.00 0.00 55.97 55.71 3d29 s LYS 107 Cb 0.00 -2.10 -0.09 0.00 -1.68 0.00 0.00 37.83 33.96 3d29 s LYS 107 CO 0.00 -0.44 1.36 0.20 -0.76 0.00 0.00 175.35 175.71 3d29 s GLY 108 N -1.97 2.94 -0.03 -3.33 0.00 -0.80 -0.59 107.32 103.55 3d29 s GLY 108 Ca 0.67 1.34 -0.02 0.00 0.00 0.00 0.00 44.72 46.72 3d29 s GLY 108 CO 0.20 1.96 0.07 0.00 0.00 0.00 0.00 173.10 175.33 3d29 s ALA 109 N -1.20 -0.14 -0.05 3.20 0.00 0.54 -4.70 121.76 119.39 3d29 s ALA 109 Ca 0.56 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.79 3d29 s ALA 109 Cb -0.41 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3d29 s ALA 109 CO 0.53 -0.05 -0.12 0.08 0.00 0.00 0.00 175.76 176.21 3d29 s VAL 110 N 0.28 1.06 -0.00 0.00 1.01 -1.23 -1.08 120.40 120.43 3d29 s VAL 110 Ca -0.02 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3d29 s VAL 110 Cb -0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3d29 s VAL 110 CO -0.01 0.33 -0.17 -0.31 0.00 0.00 0.00 175.10 174.94 3d29 s TYR 111 N 0.51 1.52 0.13 5.22 2.02 -0.19 -0.73 117.35 125.83 3d29 s TYR 111 Ca -0.11 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.34 3d29 s TYR 111 Cb -0.14 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 3d29 s TYR 111 CO 0.03 -0.01 -0.11 -1.54 -1.57 0.00 0.00 175.55 172.35 3d29 s SER 112 N -0.56 1.74 0.18 2.29 1.04 -1.14 -0.34 113.70 116.90 3d29 s SER 112 Ca 0.06 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 55.60 3d29 s SER 112 Cb -0.07 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 3d29 s SER 112 CO -0.00 -0.28 -0.06 -0.36 0.98 0.00 0.00 173.24 173.52 3d29 s PHE 113 N -2.91 1.34 0.58 5.02 0.40 0.13 -3.09 117.98 119.45 3d29 s PHE 113 Ca 0.13 -0.85 -0.08 0.00 -0.60 0.00 0.00 56.93 55.52 3d29 s PHE 113 Cb -0.00 -0.73 -0.03 0.00 0.51 0.00 0.00 43.02 42.78 3d29 s PHE 113 CO 0.01 -0.00 0.94 0.34 0.70 0.00 0.00 175.22 177.21 3d29 s ASP 114 N -3.21 6.05 0.52 1.36 3.68 0.57 -3.82 116.67 121.82 3d29 s ASP 114 Ca 0.21 1.13 0.28 0.00 2.13 0.00 0.00 52.55 56.30 3d29 s ASP 114 Cb 0.04 -2.22 1.43 0.00 -1.45 0.00 0.00 42.92 40.72 3d29 s ASP 114 CO 0.03 -0.86 2.05 -0.65 0.13 0.00 0.00 175.17 175.87 3d29 h PRO 115 N -0.17 0.00 -0.39 4.34 0.11 -1.88 -2.36 132.00 131.66 3d29 h PRO 115 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3d29 h PRO 115 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d29 h PRO 115 CO 0.62 0.12 0.00 1.33 -0.21 0.00 0.00 178.00 179.86 3d29 n VAL 116 N -3.54 2.19 0.00 3.15 0.24 -1.26 -4.36 118.33 114.75 3d29 n VAL 116 Ca -0.01 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.70 3d29 n VAL 116 Cb 0.26 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 3d29 n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d29 n GLY 117 N 0.07 1.27 3.69 7.63 0.00 -0.89 -3.65 105.19 113.30 3d29 n GLY 117 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3d29 n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d29 s SER 118 N -1.81 6.67 0.13 1.61 0.15 -1.26 -4.60 113.70 114.60 3d29 s SER 118 Ca 0.00 2.36 0.04 0.00 0.70 0.00 0.00 55.95 59.06 3d29 s SER 118 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3d29 s SER 118 CO 0.00 -0.85 -0.10 -0.72 1.20 0.00 0.00 173.24 172.77 3d29 s TYR 119 N 2.71 1.20 0.01 3.44 -0.85 -1.26 -0.31 117.35 122.29 3d29 s TYR 119 Ca 0.71 -0.73 -0.11 0.00 -0.52 0.00 0.00 57.07 56.42 3d29 s TYR 119 Cb -0.37 -0.62 0.01 0.00 0.38 0.00 0.00 41.96 41.36 3d29 s TYR 119 CO 0.30 0.05 0.22 -2.00 -1.52 0.00 0.00 175.55 172.61 3d29 s GLU 120 N -3.47 0.63 -0.11 -3.49 2.56 -1.18 -5.02 118.70 108.63 3d29 s GLU 120 Ca 0.13 -0.42 -0.11 0.00 0.00 0.00 0.00 54.97 54.57 3d29 s GLU 120 Cb 0.01 0.27 -0.05 0.00 2.00 0.00 0.00 34.13 36.36 3d29 s GLU 120 CO 0.00 -0.17 0.23 0.50 -0.56 0.00 0.00 175.26 175.26 3d29 s ARG 121 N -1.84 3.82 0.26 4.30 3.52 -1.26 -2.90 118.95 124.84 3d29 s ARG 121 Ca -0.11 0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.51 3d29 s ARG 121 Cb -0.04 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 3d29 s ARG 121 CO 0.00 0.58 0.28 -1.21 -0.81 0.00 0.00 175.30 174.14 3d29 s GLU 122 N -0.54 1.50 0.19 5.12 2.02 0.10 -5.01 118.70 122.07 3d29 s GLU 122 Ca 0.16 -1.67 0.15 0.00 0.02 0.00 0.00 54.97 53.64 3d29 s GLU 122 Cb -0.13 0.35 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 3d29 s GLU 122 CO 0.05 -0.56 1.21 0.37 0.02 0.00 0.00 175.26 176.35 3d29 h GLN 123 N 2.37 0.00 -3.01 1.61 5.75 -1.93 -3.25 115.11 116.65 3d29 h GLN 123 Ca -0.31 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.18 3d29 h GLN 123 Cb 1.24 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 29.68 3d29 h GLN 123 CO 0.44 0.45 0.21 0.00 -2.65 0.00 0.00 178.83 177.28 3d29 s ARG 125 N -3.76 0.20 -0.00 0.00 6.06 -0.03 -4.97 118.95 116.45 3d29 s ARG 125 Ca 0.02 0.30 0.01 0.00 -2.50 0.00 0.00 55.73 53.56 3d29 s ARG 125 Cb -0.01 0.06 -0.04 0.00 0.06 0.00 0.00 34.95 35.02 3d29 s ARG 125 CO -0.12 -0.03 0.01 0.00 -2.50 0.00 0.00 175.30 172.66 3d29 s ALA 126 N 0.82 3.31 0.05 6.12 0.00 -1.26 -0.23 121.76 130.57 3d29 s ALA 126 Ca -0.04 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3d29 s ALA 126 Cb -0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 3d29 s ALA 126 CO -0.12 0.65 0.02 0.20 0.00 0.00 0.00 175.76 176.51 3d29 s GLY 127 N -1.58 0.33 0.00 0.00 0.00 0.12 -4.83 107.32 101.36 3d29 s GLY 127 Ca 0.20 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.99 3d29 s GLY 127 CO 0.11 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.77 3d29 n GLY 128 N 0.39 -1.79 0.23 0.20 0.00 -1.26 0.00 105.19 102.96 3d29 n GLY 128 Ca -0.16 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 3d29 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 h ALA 129 N 0.00 0.41 -0.50 4.61 0.00 -1.52 -2.09 119.26 120.17 3d29 h ALA 129 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3d29 h ALA 129 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3d29 h ALA 129 CO 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.82 3d29 n ALA 130 N -2.96 3.10 -0.30 0.00 0.00 -1.26 -4.49 120.51 114.60 3d29 n ALA 130 Ca 0.07 -1.29 0.08 0.00 0.00 0.00 0.00 53.44 52.30 3d29 n ALA 130 Cb 0.31 -1.04 0.24 0.00 0.00 0.00 0.00 19.45 18.96 3d29 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d29 h ALA 131 N 3.76 1.32 0.00 0.00 0.00 -1.59 0.23 119.26 122.98 3d29 h ALA 131 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3d29 h ALA 131 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3d29 h ALA 131 CO 0.23 -0.13 0.00 0.66 0.00 0.00 0.00 179.25 180.01 3d29 h SER 132 N 0.59 0.00 0.12 0.00 4.64 -1.82 -0.40 113.55 116.69 3d29 h SER 132 Ca 0.48 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.45 3d29 h SER 132 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 3d29 h SER 132 CO -0.39 0.00 -1.88 -0.07 -0.87 0.00 0.00 176.83 173.62 3d29 h LEU 133 N 0.00 0.40 0.06 5.97 4.07 -0.91 -3.42 115.31 121.49 3d29 h LEU 133 Ca 0.00 -0.91 -0.09 0.00 0.08 0.00 0.00 57.88 56.95 3d29 h LEU 133 Cb 0.33 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 41.95 3d29 h LEU 133 CO 0.00 1.81 -0.43 0.40 -1.08 0.00 0.00 178.44 179.15 3d29 h ILE 134 N -0.04 1.63 -0.68 1.22 2.04 -1.05 -3.38 117.51 117.25 3d29 h ILE 134 Ca -0.40 -2.42 0.14 0.00 1.00 0.00 0.00 64.86 63.17 3d29 h ILE 134 Cb 1.97 3.26 -0.13 0.00 -0.74 0.00 0.00 36.82 41.17 3d29 h ILE 134 CO 0.07 0.65 -0.19 0.24 0.00 0.00 0.00 178.15 178.92 3d29 h MET 135 N -0.72 -0.02 -0.61 2.37 2.86 -1.33 -0.23 114.93 117.26 3d29 h MET 135 Ca -0.08 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 3d29 h MET 135 Cb 1.30 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.90 3d29 h MET 135 CO 0.06 -0.01 0.24 -1.35 1.06 0.00 0.00 176.91 176.91 3d29 h PRO 136 N -0.02 0.43 -0.66 -0.22 0.11 -1.81 0.19 132.00 130.02 3d29 h PRO 136 Ca 0.32 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.45 3d29 h PRO 136 Cb 0.51 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.48 3d29 h PRO 136 CO -0.71 0.28 0.39 0.35 -0.21 0.00 0.00 178.00 178.10 3d29 h PHE 137 N 0.44 0.72 -0.57 0.65 3.57 -1.26 -2.10 116.94 118.39 3d29 h PHE 137 Ca 0.30 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.72 3d29 h PHE 137 Cb 0.35 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3d29 h PHE 137 CO -0.15 0.39 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.17 3d29 h LEU 138 N 0.75 1.05 -1.14 0.59 4.07 -0.20 -0.16 115.31 120.27 3d29 h LEU 138 Ca 0.28 -0.33 0.08 0.00 0.08 0.00 0.00 57.88 57.99 3d29 h LEU 138 Cb 0.09 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.48 3d29 h LEU 138 CO -0.14 1.13 0.59 0.44 -1.08 0.00 0.00 178.44 179.39 3d29 h ASP 139 N 0.94 0.88 0.05 -0.43 3.32 -0.04 -0.05 116.42 121.09 3d29 h ASP 139 Ca 0.15 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3d29 h ASP 139 Cb 0.64 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3d29 h ASP 139 CO 0.04 0.53 -0.02 -1.13 -1.72 0.00 0.00 179.24 176.94 3d29 h ASN 140 N 0.98 -0.06 0.92 6.45 -0.00 -1.07 -2.23 115.58 120.57 3d29 h ASN 140 Ca 0.42 -0.58 0.00 0.00 -0.00 0.00 0.00 56.30 56.13 3d29 h ASN 140 Cb 0.32 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 38.65 3d29 h ASN 140 CO -0.17 0.67 -0.25 0.00 -0.00 0.00 0.00 177.43 177.67 3d29 n GLN 141 N -4.76 0.10 -0.04 6.67 1.13 -0.10 -1.70 117.38 118.69 3d29 n GLN 141 Ca -0.07 0.05 -0.03 0.00 -1.94 0.00 0.00 57.00 55.01 3d29 n GLN 141 Cb 0.31 -1.59 -0.06 0.00 0.11 0.00 0.00 30.24 29.01 3d29 n GLN 141 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3d29 n VAL 142 N -1.75 0.50 -0.66 5.09 0.31 -0.04 -4.66 118.33 117.13 3d29 n VAL 142 Ca 0.06 -0.32 0.05 0.00 -0.01 0.00 0.00 64.34 64.12 3d29 n VAL 142 Cb 0.37 -0.71 0.07 0.00 -0.91 0.00 0.00 33.84 32.66 3d29 n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3d29 n ASN 143 N -2.25 2.07 -3.96 4.52 3.02 -1.16 -4.98 115.26 112.50 3d29 n ASN 143 Ca -0.12 -2.55 -0.32 0.00 -0.03 0.00 0.00 54.58 51.57 3d29 n ASN 143 Cb 0.72 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.61 3d29 n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3d29 n PHE 144 N -0.97 -1.52 -1.94 3.10 3.72 -0.69 -4.88 117.46 114.28 3d29 n PHE 144 Ca 0.08 0.57 -0.41 0.00 -0.05 0.00 0.00 57.45 57.64 3d29 n PHE 144 Cb 0.48 -2.13 -0.01 0.00 -0.94 0.00 0.00 39.48 36.87 3d29 n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3d29 s LYS 14 N -6.63 4.22 -1.78 -1.08 -0.14 -0.85 -2.33 119.74 111.15 3d29 s LYS 14 Ca 0.62 2.41 0.00 0.00 -1.36 0.00 0.00 55.97 57.64 3d29 s LYS 14 Cb -0.35 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.77 3d29 s LYS 14 CO 0.76 -0.40 0.00 0.09 -0.76 0.00 0.00 175.35 175.03 3d29 n ASN 14 N 0.98 -5.07 -4.43 2.83 4.13 -1.26 -4.65 115.26 107.79 3d29 n ASN 14 Ca 0.02 0.37 -0.33 0.00 1.68 0.00 0.00 54.58 56.32 3d29 n ASN 14 Cb 0.40 -4.09 -0.13 0.00 -1.54 0.00 0.00 39.78 34.42 3d29 n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3d29 s GLN 14 N -3.62 3.21 0.38 3.52 -0.21 -0.98 -5.09 119.66 116.86 3d29 s GLN 14 Ca 0.00 -0.65 0.04 0.00 0.02 0.00 0.00 55.36 54.78 3d29 s GLN 14 Cb 0.00 -2.63 -0.06 0.00 1.00 0.00 0.00 33.01 31.33 3d29 s GLN 14 CO 0.00 0.34 0.05 0.71 -2.12 0.00 0.00 175.29 174.27 3d29 s TYR 14 N 0.04 2.07 -0.11 0.91 2.02 -1.26 -1.38 117.35 119.64 3d29 s TYR 14 Ca -0.03 -0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 55.44 3d29 s TYR 14 Cb -0.14 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 3d29 s TYR 14 CO 0.04 0.10 1.03 -1.21 -1.57 0.00 0.00 175.55 173.94 3d29 s GLU 14 N -3.82 4.41 0.89 -0.62 0.41 0.11 -4.61 118.70 115.47 3d29 s GLU 14 Ca 0.31 1.42 -0.13 0.00 -0.41 0.00 0.00 54.97 56.16 3d29 s GLU 14 Cb 0.07 -3.55 0.04 0.00 -1.78 0.00 0.00 34.13 28.92 3d29 s GLU 14 CO 0.15 -0.34 0.61 -2.30 -0.49 0.00 0.00 175.26 172.89 3d29 n PRO 14 N 5.07 -0.16 0.00 0.39 -0.02 -1.26 -2.80 135.00 136.22 3d29 n PRO 14 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3d29 n PRO 14 Cb 0.48 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3d29 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d29 n GLY 14 N 1.25 0.50 0.47 -1.23 0.00 -1.26 -4.69 105.19 100.23 3d29 n GLY 14 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3d29 n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d29 n THR 14 N -0.63 0.00 -3.77 2.61 -2.24 -1.12 -4.84 114.28 104.29 3d29 n THR 14 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 3d29 n THR 14 Cb 0.00 -0.38 0.02 0.00 -2.10 0.00 0.00 70.33 67.86 3d29 n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3d29 n ASN 1 N 0.06 -1.56 -3.86 3.42 4.05 -1.26 -1.93 115.26 114.19 3d29 n ASN 1 Ca 0.00 -0.91 -0.30 0.00 0.45 0.00 0.00 54.58 53.82 3d29 n ASN 1 Cb 0.19 -3.66 -0.03 0.00 1.23 0.00 0.00 39.78 37.51 3d29 n ASN 1 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3d29 n GLY 14 N -1.72 -0.45 0.07 8.20 0.00 -1.26 -4.79 105.19 105.24 3d29 n GLY 14 Ca -0.27 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 3d29 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d29 n LYS 14 N -3.86 1.35 -0.90 1.61 4.76 -0.81 -5.06 118.16 115.25 3d29 n LYS 14 Ca 0.06 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3d29 n LYS 14 Cb 0.49 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 3d29 n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3d29 n VAL 14 N -2.66 0.00 -3.96 -0.18 0.31 -1.26 -5.04 118.33 105.53 3d29 n VAL 14 Ca -0.24 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.74 3d29 n VAL 14 Cb 0.89 -1.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.71 3d29 n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3d29 s LYS 14 N -1.49 3.84 0.84 5.55 2.20 -0.48 0.07 119.74 130.27 3d29 s LYS 14 Ca 0.00 -0.40 -0.14 0.00 -0.36 0.00 0.00 55.97 55.07 3d29 s LYS 14 Cb 0.00 -3.23 0.04 0.00 -1.51 0.00 0.00 37.83 33.12 3d29 s LYS 14 CO 0.00 0.11 0.74 -0.35 -0.36 0.00 0.00 175.35 175.49 3d29 n PRO 14 N 4.02 0.01 -1.82 4.03 -0.04 -1.26 -4.90 135.00 135.04 3d29 n PRO 14 Ca -0.16 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.02 3d29 n PRO 14 Cb 0.52 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 3d29 n PRO 14 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3d29 n LEU 14 N -1.82 7.14 -4.31 1.53 4.77 -1.26 -4.96 117.00 118.09 3d29 n LEU 14 Ca 0.10 -4.56 -0.32 0.00 -0.03 0.00 0.00 56.01 51.19 3d29 n LEU 14 Cb 0.51 -1.22 0.16 0.00 -2.33 0.00 0.00 43.42 40.55 3d29 n LEU 14 CO 0.50 1.84 -0.41 1.17 -1.33 0.00 0.00 177.39 179.16 3d29 n LYS 14 N 0.62 -1.34 -5.00 3.23 4.81 -1.26 -4.97 118.16 114.25 3d29 n LYS 14 Ca 0.53 -0.37 -0.31 0.00 -0.87 0.00 0.00 58.31 57.29 3d29 n LYS 14 Cb 0.38 -1.75 -0.14 0.00 0.02 0.00 0.00 35.03 33.54 3d29 n LYS 14 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3d29 s TYR 145 N -2.28 2.45 0.31 5.64 6.14 -1.26 -5.07 117.35 123.30 3d29 s TYR 145 Ca 0.56 -0.34 -0.28 0.00 0.64 0.00 0.00 57.07 57.66 3d29 s TYR 145 Cb -0.14 -1.50 -0.09 0.00 0.42 0.00 0.00 41.96 40.65 3d29 s TYR 145 CO 0.66 0.10 1.13 -0.51 0.64 0.00 0.00 175.55 177.58 3d29 s LEU 146 N -0.94 4.45 0.34 6.97 1.43 -1.26 -5.01 118.68 124.66 3d29 s LEU 146 Ca 0.12 2.32 -0.04 0.00 -1.03 0.00 0.00 54.13 55.50 3d29 s LEU 146 Cb -0.10 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 3d29 s LEU 146 CO 0.01 -0.29 0.59 -0.94 0.23 0.00 0.00 176.35 175.95 3d29 s SER 147 N -0.92 6.38 0.36 2.29 1.04 -1.26 -4.42 113.70 117.17 3d29 s SER 147 Ca 0.48 0.68 0.13 0.00 0.48 0.00 0.00 55.95 57.72 3d29 s SER 147 Cb -0.32 -2.13 0.95 0.00 0.10 0.00 0.00 66.02 64.62 3d29 s SER 147 CO 0.41 -0.29 1.79 1.62 0.98 0.00 0.00 173.24 177.75 3d29 h VAL 148 N 1.00 0.63 -0.58 5.02 3.04 -1.98 0.13 116.25 123.50 3d29 h VAL 148 Ca -0.48 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 64.95 3d29 h VAL 148 Cb 1.20 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 3d29 h VAL 148 CO 0.64 0.10 0.09 -0.33 -1.01 0.00 0.00 177.57 177.06 3d29 h GLU 149 N 0.55 0.96 -0.09 4.17 3.07 -2.00 -0.79 114.58 120.45 3d29 h GLU 149 Ca 0.56 -0.26 -0.17 0.00 -0.50 0.00 0.00 59.36 58.99 3d29 h GLU 149 Cb 1.18 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 3d29 h GLU 149 CO -0.31 0.92 -0.67 1.49 -1.40 0.00 0.00 179.01 179.03 3d29 h GLU 150 N 0.86 0.38 -0.44 2.33 4.57 -1.38 -2.93 114.58 117.98 3d29 h GLU 150 Ca 0.18 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 3d29 h GLU 150 Cb 0.42 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 3d29 h GLU 150 CO 0.01 0.92 0.04 0.28 -1.18 0.00 0.00 179.01 179.08 3d29 h VAL 151 N 0.27 1.25 -0.07 0.32 2.07 -0.61 -2.54 116.25 116.95 3d29 h VAL 151 Ca -0.02 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3d29 h VAL 151 Cb 1.22 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3d29 h VAL 151 CO 0.11 0.33 -0.09 0.40 0.02 0.00 0.00 177.57 178.35 3d29 h ILE 152 N 0.60 1.11 -0.29 4.57 1.08 -1.12 -1.70 117.51 121.76 3d29 h ILE 152 Ca 0.13 -0.48 -0.07 0.00 -0.39 0.00 0.00 64.86 64.05 3d29 h ILE 152 Cb 0.43 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 3d29 h ILE 152 CO 0.01 0.14 -0.10 0.11 -0.69 0.00 0.00 178.15 177.63 3d29 h LYS 153 N 0.10 0.59 -0.65 2.37 1.57 -1.27 -1.73 116.57 117.55 3d29 h LYS 153 Ca 0.02 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 3d29 h LYS 153 Cb 0.22 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3d29 h LYS 153 CO 0.01 0.80 0.27 -0.07 -0.57 0.00 0.00 179.45 179.89 3d29 h LEU 154 N 0.34 0.88 -0.38 2.94 3.38 -1.10 -0.27 115.31 121.12 3d29 h LEU 154 Ca 0.07 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3d29 h LEU 154 Cb 0.60 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3d29 h LEU 154 CO 0.04 0.81 0.24 0.58 0.09 0.00 0.00 178.44 180.19 3d29 h VAL 155 N 0.91 1.08 -0.46 1.22 2.07 -1.21 0.64 116.25 120.48 3d29 h VAL 155 Ca 0.22 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 3d29 h VAL 155 Cb 0.19 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3d29 h VAL 155 CO -0.02 0.09 -0.06 0.03 0.02 0.00 0.00 177.57 177.63 3d29 h ARG 156 N 0.49 0.86 -0.06 1.57 3.08 -1.06 -1.60 114.38 117.65 3d29 h ARG 156 Ca 0.14 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.77 3d29 h ARG 156 Cb -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3d29 h ARG 156 CO -0.04 0.94 -0.50 -0.44 -1.07 0.00 0.00 179.97 178.86 3d29 h ASP 157 N 0.71 0.18 -0.49 7.04 3.45 -0.77 -1.11 116.42 125.43 3d29 h ASP 157 Ca 0.12 -0.09 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 3d29 h ASP 157 Cb 0.59 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.29 3d29 h ASP 157 CO 0.04 0.65 0.12 0.28 -1.57 0.00 0.00 179.24 178.75 3d29 h SER 158 N 0.13 0.75 0.24 6.45 0.02 0.57 -2.39 113.55 119.33 3d29 h SER 158 Ca 0.00 -0.24 -0.25 0.00 -0.84 0.00 0.00 61.79 60.47 3d29 h SER 158 Cb 0.93 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.28 3d29 h SER 158 CO 0.07 0.79 -1.03 -0.26 -1.14 0.00 0.00 176.83 175.27 3d29 h PHE 159 N 0.68 0.77 -0.11 3.45 -1.00 -1.11 -1.69 116.94 117.94 3d29 h PHE 159 Ca 0.15 -0.44 -0.07 0.00 2.81 0.00 0.00 57.97 60.42 3d29 h PHE 159 Cb 0.34 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 3d29 h PHE 159 CO 0.02 1.27 -0.27 1.79 -1.61 0.00 0.00 178.31 179.51 3d29 h THR 160 N 0.27 1.24 -0.05 -1.55 1.35 -1.22 0.24 112.91 113.18 3d29 h THR 160 Ca -0.11 -1.13 -0.04 0.00 -0.55 0.00 0.00 66.41 64.58 3d29 h THR 160 Cb 1.68 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 3d29 h THR 160 CO 0.19 0.34 -0.11 0.28 -0.25 0.00 0.00 175.52 175.97 3d29 h SER 161 N 0.18 0.19 -0.98 5.36 0.02 -1.40 -2.45 113.55 114.47 3d29 h SER 161 Ca 0.03 -0.57 0.02 0.00 -0.84 0.00 0.00 61.79 60.43 3d29 h SER 161 Cb 0.58 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 3d29 h SER 161 CO 0.04 0.72 0.64 0.00 -1.14 0.00 0.00 176.83 177.10 3d29 h ALA 162 N 0.47 1.33 0.00 3.77 0.00 -1.04 -1.62 119.26 122.17 3d29 h ALA 162 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3d29 h ALA 162 Cb 0.69 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3d29 h ALA 162 CO 0.02 0.61 -0.12 1.15 0.00 0.00 0.00 179.25 180.92 3d29 h THR 163 N 1.29 0.96 -0.11 0.00 2.02 -0.46 -0.63 112.91 115.97 3d29 h THR 163 Ca 0.37 -0.41 -0.19 0.00 0.77 0.00 0.00 66.41 66.95 3d29 h THR 163 Cb -0.10 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3d29 h THR 163 CO -0.09 0.11 -0.72 -0.33 0.37 0.00 0.00 175.52 174.86 3d29 h GLU 164 N 0.00 0.52 -0.00 6.66 4.39 -0.80 -3.37 114.58 121.99 3d29 h GLU 164 Ca -0.00 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3d29 h GLU 164 Cb 0.22 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3d29 h GLU 164 CO 0.01 1.04 -0.45 0.54 -1.16 0.00 0.00 179.01 179.00 3d29 n ARG 165 N -3.88 2.95 -4.11 2.33 5.12 -1.09 -4.94 116.66 113.04 3d29 n ARG 165 Ca -0.05 -0.18 -0.33 0.00 -1.93 0.00 0.00 57.85 55.36 3d29 n ARG 165 Cb 0.71 -1.06 -0.16 0.00 -1.16 0.00 0.00 32.46 30.79 3d29 n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3d29 s HIS 166 N -1.90 2.84 0.23 -1.55 2.46 -0.26 -5.01 115.29 112.10 3d29 s HIS 166 Ca 0.06 -1.74 0.36 0.00 0.47 0.00 0.00 55.06 54.20 3d29 s HIS 166 Cb 0.09 -1.92 1.76 0.00 -0.13 0.00 0.00 32.58 32.38 3d29 s HIS 166 CO 0.41 -0.82 2.07 -0.84 -2.47 0.00 0.00 174.74 173.10 3d29 h ILE 167 N 6.07 0.00 -0.01 0.89 3.07 -1.86 -2.34 117.51 123.31 3d29 h ILE 167 Ca -0.42 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 65.81 3d29 h ILE 167 Cb 1.12 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.75 3d29 h ILE 167 CO 0.61 0.00 -0.13 0.00 -1.05 0.00 0.00 178.15 177.59 3d29 n GLN 168 N -2.87 1.43 -4.57 0.16 6.02 -1.26 -4.86 117.38 111.44 3d29 n GLN 168 Ca -0.01 -0.93 -0.33 0.00 -0.01 0.00 0.00 57.00 55.72 3d29 n GLN 168 Cb 0.16 -1.48 -0.13 0.00 1.02 0.00 0.00 30.24 29.81 3d29 n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3d29 s VAL 169 N -2.21 3.55 -4.25 5.09 1.01 -0.88 -3.19 120.40 119.52 3d29 s VAL 169 Ca 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3d29 s VAL 169 Cb 0.20 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3d29 s VAL 169 CO 0.41 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.63 3d29 n GLY 170 N 3.44 -0.52 5.00 4.51 0.00 -1.26 -4.49 105.19 111.87 3d29 n GLY 170 Ca -0.18 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3d29 n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d29 n ASP 171 N 0.00 0.00 -3.47 1.61 8.00 -0.20 -3.89 116.55 118.60 3d29 n ASP 171 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3d29 n ASP 171 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3d29 n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3d29 s GLY 172 N 0.00 -0.55 -0.12 0.44 0.00 -1.26 -1.60 107.32 104.23 3d29 s GLY 172 Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 44.72 45.62 3d29 s GLY 172 CO 0.00 0.41 -0.16 -2.27 0.00 0.00 0.00 173.10 171.08 3d29 s LEU 173 N -2.29 1.74 -0.16 0.66 2.96 0.31 -0.60 118.68 121.31 3d29 s LEU 173 Ca -0.00 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 3d29 s LEU 173 Cb -0.01 -1.14 0.02 0.00 0.50 0.00 0.00 46.19 45.56 3d29 s LEU 173 CO -0.07 0.00 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.07 3d29 s GLU 174 N 1.09 2.91 -0.08 1.98 2.12 -0.76 -0.43 118.70 125.52 3d29 s GLU 174 Ca -0.04 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.51 3d29 s GLU 174 Cb -0.14 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 3d29 s GLU 174 CO -0.04 -0.16 -0.14 0.42 -0.54 0.00 0.00 175.26 174.81 3d29 s ILE 175 N 1.18 3.04 -0.21 -3.70 1.01 0.14 -2.26 121.20 120.40 3d29 s ILE 175 Ca 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 3d29 s ILE 175 Cb -0.14 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.11 3d29 s ILE 175 CO -0.10 0.57 -0.08 -0.76 0.00 0.00 0.00 174.94 174.57 3d29 s LEU 176 N -0.34 2.76 -0.18 2.97 1.02 -0.72 -1.09 118.68 123.10 3d29 s LEU 176 Ca 0.03 -0.49 -0.08 0.00 0.02 0.00 0.00 54.13 53.61 3d29 s LEU 176 Cb -0.13 -1.67 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 3d29 s LEU 176 CO 0.02 -0.03 0.07 -0.63 0.02 0.00 0.00 176.35 175.81 3d29 s ILE 177 N 1.42 4.89 -0.15 -0.59 1.09 0.11 -1.70 121.20 126.27 3d29 s ILE 177 Ca 0.05 0.00 -0.01 0.00 -1.10 0.00 0.00 60.65 59.60 3d29 s ILE 177 Cb -0.14 -3.20 -0.01 0.00 -1.06 0.00 0.00 42.46 38.04 3d29 s ILE 177 CO -0.06 0.46 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.43 3d29 s VAL 178 N 0.34 2.96 0.36 2.92 1.01 0.34 -0.52 120.40 127.81 3d29 s VAL 178 Ca 0.04 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3d29 s VAL 178 Cb -0.12 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3d29 s VAL 178 CO -0.00 0.50 0.19 0.42 0.00 0.00 0.00 175.10 176.21 3d29 s THR 179 N 0.71 0.32 0.48 3.92 -4.23 0.17 -1.92 115.64 115.10 3d29 s THR 179 Ca -0.06 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.59 3d29 s THR 179 Cb -0.15 -2.42 0.28 0.00 1.34 0.00 0.00 72.50 71.55 3d29 s THR 179 CO 0.02 0.00 2.10 0.07 -0.54 0.00 0.00 174.62 176.27 3d29 h LYS 180 N 1.99 0.18 0.00 3.99 2.10 -1.93 -0.19 116.57 122.72 3d29 h LYS 180 Ca -0.31 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 3d29 h LYS 180 Cb 1.25 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3d29 h LYS 180 CO 0.48 0.12 0.00 -0.25 -2.00 0.00 0.00 179.45 177.81 3d29 n ASP 182 N -4.50 0.39 0.00 7.07 8.00 -1.26 -5.01 116.55 121.24 3d29 n ASP 182 Ca 0.01 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.08 3d29 n ASP 182 Cb 0.15 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 3d29 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d29 n GLY 183 N 0.55 0.65 3.19 0.44 0.00 -0.08 -5.06 105.19 104.87 3d29 n GLY 183 Ca 0.04 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 3d29 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 184 N -2.86 2.38 0.21 1.61 1.01 -1.26 -0.65 120.40 120.85 3d29 s VAL 184 Ca 0.00 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.23 3d29 s VAL 184 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3d29 s VAL 184 CO 0.00 0.52 -0.11 -0.60 0.00 0.00 0.00 175.10 174.91 3d29 s ARG 185 N 1.12 1.99 0.06 2.72 3.52 0.32 -4.94 118.95 123.75 3d29 s ARG 185 Ca 0.01 -1.40 0.08 0.00 -0.13 0.00 0.00 55.73 54.29 3d29 s ARG 185 Cb -0.14 -2.07 -0.03 0.00 -1.56 0.00 0.00 34.95 31.15 3d29 s ARG 185 CO -0.07 0.40 -0.22 0.15 -0.81 0.00 0.00 175.30 174.76 3d29 s LYS 186 N -3.08 1.38 0.02 5.12 1.02 -1.26 0.05 119.74 122.99 3d29 s LYS 186 Ca 0.26 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 55.23 3d29 s LYS 186 Cb -0.08 -1.57 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 3d29 s LYS 186 CO 0.15 0.39 -0.07 -1.21 -0.92 0.00 0.00 175.35 173.70 3d29 s GLU 187 N -1.42 0.49 -0.03 1.68 2.02 -0.25 -4.99 118.70 116.20 3d29 s GLU 187 Ca 0.08 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.63 3d29 s GLU 187 Cb -0.09 -0.38 0.01 0.00 0.10 0.00 0.00 34.13 33.77 3d29 s GLU 187 CO 0.03 0.09 -0.08 0.12 0.02 0.00 0.00 175.26 175.44 3d29 s PHE 188 N -0.72 0.92 -0.01 1.61 5.36 -1.26 -0.68 117.98 123.19 3d29 s PHE 188 Ca -0.03 -0.25 0.03 0.00 -0.96 0.00 0.00 56.93 55.71 3d29 s PHE 188 Cb -0.06 -0.69 -0.00 0.00 -0.34 0.00 0.00 43.02 41.93 3d29 s PHE 188 CO 0.00 -0.14 -0.08 0.71 -1.46 0.00 0.00 175.22 174.25 3d29 s TYR 189 N 0.42 0.79 0.68 10.12 1.51 0.42 -4.98 117.35 126.31 3d29 s TYR 189 Ca -0.06 -0.16 -0.12 0.00 -1.01 0.00 0.00 57.07 55.71 3d29 s TYR 189 Cb -0.11 -0.53 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 3d29 s TYR 189 CO 0.01 -0.03 1.06 -1.21 -1.11 0.00 0.00 175.55 174.27 3d29 s GLU 190 N -0.09 2.94 0.18 -0.62 2.02 -1.26 0.11 118.70 121.98 3d29 s GLU 190 Ca 0.02 1.05 0.04 0.00 0.02 0.00 0.00 54.97 56.09 3d29 s GLU 190 Cb -0.05 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.15 3d29 s GLU 190 CO -0.00 -1.10 -0.05 -0.51 0.02 0.00 0.00 175.26 173.62 3d29 s LEU 191 N -5.32 2.36 0.41 1.80 1.43 -0.63 -4.67 118.68 114.06 3d29 s LEU 191 Ca 0.60 -1.11 -0.26 0.00 -1.03 0.00 0.00 54.13 52.34 3d29 s LEU 191 Cb -0.15 -0.28 -0.10 0.00 0.03 0.00 0.00 46.19 45.69 3d29 s LEU 191 CO 0.50 -0.43 1.27 0.29 0.23 0.00 0.00 176.35 178.22 3d29 n LYS 192 N -0.28 1.95 -0.31 1.70 5.02 -1.26 -3.65 118.16 121.34 3d29 n LYS 192 Ca -0.08 0.69 0.12 0.00 -2.02 0.00 0.00 58.31 57.02 3d29 n LYS 192 Cb 0.62 -2.38 0.29 0.00 -0.02 0.00 0.00 35.03 33.54 3d29 n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3d29 n ARG 193 N 0.09 2.65 0.00 1.97 1.74 -1.26 -1.03 116.66 120.81 3d29 n ARG 193 Ca 0.06 -2.54 0.14 0.00 -0.77 0.00 0.00 57.85 54.75 3d29 n ARG 193 Cb 0.39 -1.56 0.62 0.00 -1.02 0.00 0.00 32.46 30.90 3d29 n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71