#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvw s THR 2 N 0.00 4.27 -0.07 3.17 2.01 -1.26 -4.92 115.64 118.84 1nvw s THR 2 Ca 0.00 1.73 0.05 0.00 0.31 0.00 0.00 61.69 63.78 1nvw s THR 2 Cb 0.00 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.54 1nvw s THR 2 CO 0.00 0.12 -0.22 -0.70 -0.69 0.00 0.00 174.62 173.12 1nvw s GLU 3 N -2.12 2.52 -0.18 4.92 2.12 -1.26 -0.74 118.70 123.96 1nvw s GLU 3 Ca 0.50 -0.81 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 1nvw s GLU 3 Cb -0.18 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.15 1nvw s GLU 3 CO 0.23 0.27 -0.05 0.71 -0.54 0.00 0.00 175.26 175.87 1nvw s TYR 4 N 0.10 2.96 -0.50 5.30 2.02 -0.28 -4.96 117.35 121.99 1nvw s TYR 4 Ca -0.10 -0.57 -0.21 0.00 -0.37 0.00 0.00 57.07 55.83 1nvw s TYR 4 Cb -0.15 -2.00 0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1nvw s TYR 4 CO 0.05 -0.25 0.72 0.15 -1.57 0.00 0.00 175.55 174.65 1nvw s LYS 5 N 0.78 3.22 -0.13 -0.62 -0.14 -1.26 -1.20 119.74 120.40 1nvw s LYS 5 Ca -0.02 -0.57 -0.03 0.00 -1.36 0.00 0.00 55.97 53.99 1nvw s LYS 5 Cb -0.15 -4.05 -0.03 0.00 -1.68 0.00 0.00 37.83 31.93 1nvw s LYS 5 CO 0.02 -1.24 -0.02 -0.51 -0.76 0.00 0.00 175.35 172.84 1nvw s LEU 6 N 3.05 3.40 -0.10 3.17 1.43 -0.55 -0.54 118.68 128.53 1nvw s LEU 6 Ca 0.21 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1nvw s LEU 6 Cb -0.16 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1nvw s LEU 6 CO 0.16 0.25 -0.15 -0.69 0.23 0.00 0.00 176.35 176.15 1nvw s VAL 7 N -0.11 2.96 -0.40 -1.59 1.01 -0.49 -0.50 120.40 121.29 1nvw s VAL 7 Ca 0.03 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1nvw s VAL 7 Cb -0.13 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.08 1nvw s VAL 7 CO 0.02 0.55 0.25 -0.69 0.00 0.00 0.00 175.10 175.23 1nvw s VAL 8 N 0.01 4.72 0.45 2.92 1.01 -1.17 -0.39 120.40 127.95 1nvw s VAL 8 Ca -0.05 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1nvw s VAL 8 Cb -0.14 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1nvw s VAL 8 CO 0.04 -0.32 0.36 0.68 0.00 0.00 0.00 175.10 175.86 1nvw s VAL 9 N 1.57 2.31 0.00 2.92 -7.23 -0.12 -4.67 120.40 115.17 1nvw s VAL 9 Ca 0.03 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1nvw s VAL 9 Cb -0.20 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 33.99 1nvw s VAL 9 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1nvw n GLY 10 N -1.57 4.19 3.17 2.32 0.00 -1.26 -1.66 105.19 110.38 1nvw n GLY 10 Ca 0.02 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1nvw n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvw n ALA 11 N -1.42 -4.12 -1.78 4.61 0.00 -1.26 -4.89 120.51 111.65 1nvw n ALA 11 Ca 0.00 -0.49 -0.36 0.00 0.00 0.00 0.00 53.44 52.59 1nvw n ALA 11 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 1nvw n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nvw s GLY 12 N -1.20 2.70 0.00 0.00 0.00 -1.26 -3.45 107.32 104.11 1nvw s GLY 12 Ca 0.49 0.81 0.00 0.00 0.00 0.00 0.00 44.72 46.02 1nvw s GLY 12 CO 0.74 1.22 0.00 0.61 0.00 0.00 0.00 173.10 175.67 1nvw n GLY 13 N 0.25 1.49 0.00 0.20 0.00 -1.26 -4.90 105.19 100.97 1nvw n GLY 13 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1nvw n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nvw n VAL 14 N -2.00 0.39 -0.76 1.61 0.24 -1.22 -4.90 118.33 111.68 1nvw n VAL 14 Ca 0.00 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1nvw n VAL 14 Cb 0.00 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 1nvw n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nvw n GLY 15 N 0.66 1.23 0.14 7.63 0.00 -1.26 -4.61 105.19 108.98 1nvw n GLY 15 Ca 0.08 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 1nvw n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvw h LYS 16 N 0.00 0.35 -0.25 1.61 1.57 -1.90 -2.34 116.57 115.60 1nvw h LYS 16 Ca 0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1nvw h LYS 16 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1nvw h LYS 16 CO 0.00 0.23 -0.19 0.66 -0.57 0.00 0.00 179.45 179.58 1nvw h SER 17 N 0.36 0.45 -0.80 0.86 4.64 -1.96 -2.05 113.55 115.05 1nvw h SER 17 Ca 0.13 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1nvw h SER 17 Cb 0.02 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 1nvw h SER 17 CO -0.07 0.65 0.37 0.00 -0.87 0.00 0.00 176.83 176.92 1nvw h ALA 18 N 1.39 1.14 0.55 5.18 0.00 -1.89 0.13 119.26 125.76 1nvw h ALA 18 Ca 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1nvw h ALA 18 Cb 0.57 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1nvw h ALA 18 CO 0.04 0.64 -0.26 -0.07 0.00 0.00 0.00 179.25 179.60 1nvw h LEU 19 N 1.15 -0.63 -0.55 0.00 3.38 -1.03 0.81 115.31 118.45 1nvw h LEU 19 Ca 0.27 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.32 1nvw h LEU 19 Cb 0.14 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1nvw h LEU 19 CO -0.03 -0.35 0.07 0.74 0.09 0.00 0.00 178.44 178.96 1nvw h THR 20 N -0.88 0.64 0.54 0.22 2.02 -1.18 -1.26 112.91 113.01 1nvw h THR 20 Ca -0.08 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1nvw h THR 20 Cb 0.62 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1nvw h THR 20 CO 0.12 0.04 -0.27 0.40 0.37 0.00 0.00 175.52 176.18 1nvw h ILE 21 N 0.20 0.45 -1.20 3.11 2.04 -0.66 -1.19 117.51 120.26 1nvw h ILE 21 Ca 0.28 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.48 1nvw h ILE 21 Cb 0.42 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.87 1nvw h ILE 21 CO -0.40 0.00 0.82 1.56 0.00 0.00 0.00 178.15 180.13 1nvw h GLN 22 N -0.74 0.15 0.10 2.37 1.08 -0.13 -0.11 115.11 117.84 1nvw h GLN 22 Ca -0.07 -0.01 -0.21 0.00 -1.45 0.00 0.00 58.65 56.90 1nvw h GLN 22 Cb 0.57 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1nvw h GLN 22 CO 0.12 0.10 -1.06 1.25 -0.95 0.00 0.00 178.83 178.29 1nvw h LEU 23 N 0.16 0.34 0.01 1.46 5.85 -0.86 -3.42 115.31 118.85 1nvw h LEU 23 Ca 0.63 -0.87 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 1nvw h LEU 23 Cb 2.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 1nvw h LEU 23 CO -0.18 1.47 -0.53 0.40 -0.34 0.00 0.00 178.44 179.26 1nvw h ILE 24 N -0.45 1.44 -3.33 4.05 1.08 -0.42 -3.49 117.51 116.39 1nvw h ILE 24 Ca -0.22 -2.30 -0.42 0.00 -0.39 0.00 0.00 64.86 61.53 1nvw h ILE 24 Cb 1.61 2.95 0.20 0.00 -3.07 0.00 0.00 36.82 38.51 1nvw h ILE 24 CO 0.06 0.51 0.02 0.00 -0.69 0.00 0.00 178.15 178.06 1nvw s GLN 25 N -2.29 -1.38 -0.33 2.37 -2.07 -0.13 -5.00 119.66 110.84 1nvw s GLN 25 Ca -0.22 0.41 -0.13 0.00 -1.82 0.00 0.00 55.36 53.60 1nvw s GLN 25 Cb 0.01 -1.54 -0.02 0.00 -1.09 0.00 0.00 33.01 30.37 1nvw s GLN 25 CO 0.66 -3.92 0.24 1.21 -1.32 0.00 0.00 175.29 172.16 1nvw s ASN 26 N -3.09 6.06 0.00 12.60 3.84 -1.26 -4.94 114.94 128.15 1nvw s ASN 26 Ca 0.68 -0.36 0.13 0.00 0.21 0.00 0.00 52.86 53.53 1nvw s ASN 26 Cb -0.18 -2.14 0.80 0.00 -0.55 0.00 0.00 41.25 39.18 1nvw s ASN 26 CO 0.60 -0.22 1.51 1.41 -2.79 0.00 0.00 177.10 177.61 1nvw n HIS 27 N 5.11 0.00 -2.76 0.43 8.25 -1.26 -3.72 115.22 121.27 1nvw n HIS 27 Ca -0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.09 1nvw n HIS 27 Cb 0.50 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 1nvw n HIS 27 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1nvw n PHE 28 N -0.71 3.24 -3.70 4.41 0.99 -1.26 -4.99 117.46 115.44 1nvw n PHE 28 Ca 0.10 -3.55 -0.11 0.00 -0.00 0.00 0.00 57.45 53.88 1nvw n PHE 28 Cb 0.05 -0.32 -0.10 0.00 -1.00 0.00 0.00 39.48 38.11 1nvw n PHE 28 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1nvw s VAL 29 N -4.59 -0.01 0.31 -4.37 1.01 -1.24 -5.07 120.40 106.43 1nvw s VAL 29 Ca 0.46 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1nvw s VAL 29 Cb 0.35 -0.66 0.22 0.00 0.00 0.00 0.00 36.38 36.29 1nvw s VAL 29 CO -0.14 0.02 1.93 0.44 0.00 0.00 0.00 175.10 177.35 1nvw h ASP 30 N 6.32 0.79 -4.29 3.32 3.32 -1.94 -3.44 116.42 120.50 1nvw h ASP 30 Ca -0.32 -0.07 -0.62 0.00 0.02 0.00 0.00 57.03 56.04 1nvw h ASP 30 Cb 1.18 -0.20 -0.30 0.00 0.22 0.00 0.00 39.33 40.23 1nvw h ASP 30 CO 0.25 0.65 -0.86 -1.61 -1.72 0.00 0.00 179.24 175.95 1nvw s GLU 31 N -5.57 1.88 -0.10 3.56 2.02 -1.26 -5.12 118.70 114.11 1nvw s GLU 31 Ca -0.10 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.15 1nvw s GLU 31 Cb 0.17 -1.74 0.01 0.00 0.10 0.00 0.00 34.13 32.66 1nvw s GLU 31 CO 0.78 0.41 -0.19 -0.47 0.02 0.00 0.00 175.26 175.82 1nvw s TYR 32 N -0.36 2.19 -0.52 1.61 5.04 -1.26 -5.08 117.35 118.98 1nvw s TYR 32 Ca 0.04 -0.96 0.04 0.00 -2.44 0.00 0.00 57.07 53.75 1nvw s TYR 32 Cb -0.10 -1.52 0.14 0.00 0.35 0.00 0.00 41.96 40.83 1nvw s TYR 32 CO 0.00 -0.43 0.29 0.34 -1.34 0.00 0.00 175.55 174.41 1nvw s ASP 33 N 0.65 4.11 0.35 4.32 -1.08 -1.26 -4.96 116.67 118.81 1nvw s ASP 33 Ca -0.13 -3.03 0.16 0.00 -0.52 0.00 0.00 52.55 49.03 1nvw s ASP 33 Cb -0.16 -1.43 0.87 0.00 -1.46 0.00 0.00 42.92 40.74 1nvw s ASP 33 CO 0.03 -0.22 1.41 1.55 0.52 0.00 0.00 175.17 178.47 1nvw h PRO 34 N 6.38 0.00 -1.27 4.34 0.13 -1.99 -1.82 132.00 137.78 1nvw h PRO 34 Ca -0.02 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.83 1nvw h PRO 34 Cb 0.88 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.87 1nvw h PRO 34 CO 0.62 0.00 0.36 0.25 -0.23 0.00 0.00 178.00 179.01 1nvw n THR 35 N -2.16 2.41 -4.74 1.56 -2.24 -1.26 -4.81 114.28 103.05 1nvw n THR 35 Ca -0.01 -1.27 -0.24 0.00 -2.27 0.00 0.00 64.05 60.26 1nvw n THR 35 Cb 0.27 -1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 67.30 1nvw n THR 35 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1nvw s ILE 36 N -1.91 1.25 0.88 2.28 -1.09 -0.69 -5.13 121.20 116.79 1nvw s ILE 36 Ca 0.29 -0.66 -0.19 0.00 -2.23 0.00 0.00 60.65 57.86 1nvw s ILE 36 Cb 0.23 -1.05 -0.15 0.00 -1.58 0.00 0.00 42.46 39.91 1nvw s ILE 36 CO 0.02 0.36 -0.97 -0.62 -1.23 0.00 0.00 174.94 172.50 1nvw n GLU 37 N 2.84 0.00 -3.00 2.79 -0.58 -1.26 -3.37 120.64 118.06 1nvw n GLU 37 Ca -0.16 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.39 1nvw n GLU 37 Cb 0.54 -0.88 -0.04 0.00 -0.57 0.00 0.00 31.44 30.50 1nvw n GLU 37 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1nvw n ASP 38 N 3.07 -0.61 -1.18 1.62 9.92 -1.26 -4.70 116.55 123.41 1nvw n ASP 38 Ca -0.02 -0.58 -0.01 0.00 -0.53 0.00 0.00 54.79 53.65 1nvw n ASP 38 Cb 0.56 -0.74 0.13 0.00 -0.64 0.00 0.00 41.12 40.42 1nvw n ASP 38 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1nvw n SER 39 N -0.81 2.99 0.00 -2.24 3.41 -1.22 -3.22 113.62 112.53 1nvw n SER 39 Ca 0.02 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 1nvw n SER 39 Cb 0.23 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1nvw n SER 39 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nvw n TYR 40 N 0.12 0.00 -4.00 7.33 4.01 -1.26 -4.90 117.16 118.46 1nvw n TYR 40 Ca 0.15 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.63 1nvw n TYR 40 Cb 0.73 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.72 1nvw n TYR 40 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1nvw s ARG 41 N -0.45 3.26 -0.29 -0.72 1.81 -1.20 -0.81 118.95 120.55 1nvw s ARG 41 Ca 0.00 -0.71 -0.14 0.00 -1.72 0.00 0.00 55.73 53.15 1nvw s ARG 41 Cb 0.00 -2.85 0.13 0.00 -0.45 0.00 0.00 34.95 31.79 1nvw s ARG 41 CO 0.00 0.50 0.84 0.21 -0.68 0.00 0.00 175.30 176.17 1nvw s LYS 42 N -3.29 0.47 -0.17 3.54 2.47 -0.40 -4.97 119.74 117.39 1nvw s LYS 42 Ca 0.33 1.00 -0.20 0.00 -1.56 0.00 0.00 55.97 55.54 1nvw s LYS 42 Cb -0.10 0.39 -0.03 0.00 -1.46 0.00 0.00 37.83 36.63 1nvw s LYS 42 CO 0.27 -0.13 0.60 -1.14 0.16 0.00 0.00 175.35 175.11 1nvw s GLN 43 N 2.11 4.25 0.11 4.03 0.74 -1.26 -0.22 119.66 129.43 1nvw s GLN 43 Ca -0.07 0.59 -0.00 0.00 0.05 0.00 0.00 55.36 55.93 1nvw s GLN 43 Cb -0.07 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1nvw s GLN 43 CO -0.18 -0.14 0.02 0.14 -0.55 0.00 0.00 175.29 174.59 1nvw s VAL 44 N 1.56 0.24 -0.21 1.34 -7.23 -0.71 -4.99 120.40 110.40 1nvw s VAL 44 Ca 0.29 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1nvw s VAL 44 Cb -0.16 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1nvw s VAL 44 CO 0.11 -0.62 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.53 1nvw s VAL 45 N -3.94 3.28 -0.20 1.32 1.01 -1.26 -1.31 120.40 119.29 1nvw s VAL 45 Ca 0.19 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1nvw s VAL 45 Cb 0.07 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 34.02 1nvw s VAL 45 CO -0.01 0.44 -0.11 -0.63 0.00 0.00 0.00 175.10 174.79 1nvw s ILE 46 N 1.30 1.72 -1.37 2.22 1.01 0.22 -4.68 121.20 121.63 1nvw s ILE 46 Ca 0.04 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 1nvw s ILE 46 Cb -0.14 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.57 1nvw s ILE 46 CO -0.03 0.19 1.15 0.47 0.00 0.00 0.00 174.94 176.73 1nvw n ASP 47 N 4.66 -5.92 0.00 3.58 9.92 -1.26 -2.47 116.55 125.05 1nvw n ASP 47 Ca -0.15 -0.57 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 1nvw n ASP 47 Cb 0.47 -4.91 0.00 0.00 -0.64 0.00 0.00 41.12 36.03 1nvw n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nvw n GLY 48 N -1.93 1.92 3.75 0.44 0.00 -1.26 -4.99 105.19 103.13 1nvw n GLY 48 Ca -0.01 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1nvw n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nvw s GLU 49 N 0.00 4.24 -0.26 1.61 2.12 -1.03 -4.96 118.70 120.43 1nvw s GLU 49 Ca 0.00 2.36 -0.11 0.00 0.36 0.00 0.00 54.97 57.58 1nvw s GLU 49 Cb 0.00 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 1nvw s GLU 49 CO 0.00 -0.42 0.20 0.99 -0.54 0.00 0.00 175.26 175.49 1nvw s THR 50 N -0.37 5.32 0.39 -1.70 2.01 -1.26 -0.61 115.64 119.42 1nvw s THR 50 Ca 0.57 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.85 1nvw s THR 50 Cb -0.43 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1nvw s THR 50 CO 0.48 0.29 0.15 0.00 -0.69 0.00 0.00 174.62 174.85 1nvw s LEU 52 N -3.55 2.17 -0.16 0.00 2.96 0.08 -1.75 118.68 118.43 1nvw s LEU 52 Ca 0.27 -0.62 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 1nvw s LEU 52 Cb 0.03 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1nvw s LEU 52 CO 0.16 0.03 0.46 -0.76 -1.32 0.00 0.00 176.35 174.93 1nvw s LEU 53 N 1.11 4.22 -0.35 -0.68 1.02 0.70 -1.12 118.68 123.58 1nvw s LEU 53 Ca 0.00 0.70 0.01 0.00 0.02 0.00 0.00 54.13 54.87 1nvw s LEU 53 Cb -0.14 -2.64 0.09 0.00 0.02 0.00 0.00 46.19 43.52 1nvw s LEU 53 CO -0.08 -0.05 0.07 -0.62 0.02 0.00 0.00 176.35 175.69 1nvw s ASP 54 N 0.82 4.88 -0.19 2.29 -1.08 -0.34 -1.27 116.67 121.77 1nvw s ASP 54 Ca 0.24 -1.96 -0.18 0.00 -0.52 0.00 0.00 52.55 50.12 1nvw s ASP 54 Cb -0.15 -1.68 -0.03 0.00 -1.46 0.00 0.00 42.92 39.59 1nvw s ASP 54 CO 0.09 -0.39 0.50 -0.63 0.52 0.00 0.00 175.17 175.25 1nvw s ILE 55 N 1.02 5.13 -0.76 4.11 1.09 0.01 -1.49 121.20 130.31 1nvw s ILE 55 Ca 0.07 0.92 -0.16 0.00 -1.10 0.00 0.00 60.65 60.37 1nvw s ILE 55 Cb -0.20 -3.82 0.17 0.00 -1.06 0.00 0.00 42.46 37.54 1nvw s ILE 55 CO -0.06 0.20 0.78 -0.76 -0.10 0.00 0.00 174.94 175.01 1nvw s LEU 56 N 1.50 6.10 -0.19 2.97 1.02 0.35 -4.83 118.68 125.59 1nvw s LEU 56 Ca 0.24 -2.20 -0.05 0.00 0.02 0.00 0.00 54.13 52.13 1nvw s LEU 56 Cb -0.15 -2.26 -0.03 0.00 0.02 0.00 0.00 46.19 43.77 1nvw s LEU 56 CO 0.09 -0.81 0.01 -0.62 0.02 0.00 0.00 176.35 175.05 1nvw s ASP 57 N 2.93 5.01 -0.14 2.29 2.15 -1.26 -3.06 116.67 124.59 1nvw s ASP 57 Ca 0.17 -0.13 0.17 0.00 0.43 0.00 0.00 52.55 53.19 1nvw s ASP 57 Cb -0.15 -1.86 0.31 0.00 -0.30 0.00 0.00 42.92 40.93 1nvw s ASP 57 CO -0.04 0.09 1.16 0.35 -0.17 0.00 0.00 175.17 176.56 1nvw n THR 58 N 4.05 1.90 -1.43 1.71 -2.24 -1.26 -5.07 114.28 111.94 1nvw n THR 58 Ca -0.17 -2.42 -0.43 0.00 -2.27 0.00 0.00 64.05 58.76 1nvw n THR 58 Cb 0.52 -0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1nvw n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nvw n ALA 59 N -1.32 -1.84 0.00 6.98 0.00 -1.26 -1.15 120.51 121.91 1nvw n ALA 59 Ca 0.16 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1nvw n ALA 59 Cb 0.66 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1nvw n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvw n GLY 60 N 1.84 3.08 1.58 0.00 0.00 -1.26 -4.84 105.19 105.60 1nvw n GLY 60 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1nvw n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nvw n GLN 61 N -1.24 3.87 -0.31 1.61 6.02 -0.30 -4.60 117.38 122.43 1nvw n GLN 61 Ca 0.00 -2.66 0.11 0.00 -0.01 0.00 0.00 57.00 54.43 1nvw n GLN 61 Cb 0.00 -1.98 0.27 0.00 1.02 0.00 0.00 30.24 29.56 1nvw n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1nvw h GLU 62 N 3.64 0.52 -0.05 -1.09 3.07 -1.89 -1.57 114.58 117.21 1nvw h GLU 62 Ca 0.00 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1nvw h GLU 62 Cb 1.53 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1nvw h GLU 62 CO 0.30 0.34 0.06 0.93 -1.40 0.00 0.00 179.01 179.24 1nvw h GLU 63 N 0.53 0.00 -3.18 2.33 4.39 -1.97 -3.21 114.58 113.47 1nvw h GLU 63 Ca 0.52 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.53 1nvw h GLU 63 Cb 0.87 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1nvw h GLU 63 CO -0.44 0.00 3.48 0.66 -1.16 0.00 0.00 179.01 181.55 1nvw n TYR 64 N -3.81 2.69 0.32 4.33 4.01 -0.59 -4.72 117.16 119.38 1nvw n TYR 64 Ca -0.02 -3.03 0.20 0.00 -0.16 0.00 0.00 57.90 54.89 1nvw n TYR 64 Cb 0.15 -2.41 1.07 0.00 -0.31 0.00 0.00 39.34 37.83 1nvw n TYR 64 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1nvw h SER 65 N 5.19 0.00 0.42 7.72 4.64 -1.80 -1.94 113.55 127.78 1nvw h SER 65 Ca 0.78 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.10 1nvw h SER 65 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1nvw h SER 65 CO 1.77 0.01 -0.27 0.00 -0.87 0.00 0.00 176.83 177.47 1nvw n ALA 66 N -2.16 3.06 1.27 5.18 0.00 -1.26 -3.12 120.51 123.48 1nvw n ALA 66 Ca -0.03 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.22 1nvw n ALA 66 Cb 0.10 -1.21 0.33 0.00 0.00 0.00 0.00 19.45 18.67 1nvw n ALA 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nvw n MET 67 N -1.06 1.64 -0.03 0.00 2.00 -0.73 -4.45 117.12 114.50 1nvw n MET 67 Ca 0.10 -1.14 -0.10 0.00 0.00 0.00 0.00 57.70 56.56 1nvw n MET 67 Cb 0.32 -1.48 -0.04 0.00 0.00 0.00 0.00 33.22 32.03 1nvw n MET 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1nvw h ARG 68 N 2.77 0.20 -0.31 0.03 9.65 -1.61 -2.86 114.38 122.25 1nvw h ARG 68 Ca 0.00 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 1nvw h ARG 68 Cb 0.66 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.15 1nvw h ARG 68 CO 0.00 0.13 0.02 -0.44 2.80 0.00 0.00 179.97 182.48 1nvw h ASP 69 N 0.21 -0.08 -0.09 -3.80 3.32 -1.83 -1.76 116.42 112.38 1nvw h ASP 69 Ca 0.06 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1nvw h ASP 69 Cb -0.02 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1nvw h ASP 69 CO -0.02 -0.01 -0.19 -0.61 -1.72 0.00 0.00 179.24 176.70 1nvw h GLN 70 N 0.11 -0.24 -0.79 3.56 4.15 -1.85 -1.55 115.11 118.49 1nvw h GLN 70 Ca 0.15 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.65 1nvw h GLN 70 Cb 0.19 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.87 1nvw h GLN 70 CO -0.23 -0.16 0.47 1.88 -1.93 0.00 0.00 178.83 178.85 1nvw h TYR 71 N -0.25 0.86 -0.03 3.99 0.05 -1.24 -3.17 116.97 117.18 1nvw h TYR 71 Ca 0.09 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 1nvw h TYR 71 Cb 0.38 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 1nvw h TYR 71 CO -0.28 0.41 -0.03 0.52 -1.05 0.00 0.00 178.16 177.73 1nvw h MET 72 N 0.84 0.07 -0.97 4.88 2.86 -0.94 -3.36 114.93 118.32 1nvw h MET 72 Ca 0.36 -0.04 0.39 0.00 -2.06 0.00 0.00 59.70 58.35 1nvw h MET 72 Cb 0.23 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.73 1nvw h MET 72 CO -0.20 0.53 0.54 -2.13 1.06 0.00 0.00 176.91 176.72 1nvw n ARG 73 N -4.80 -0.05 0.11 1.72 0.63 -0.62 0.37 116.66 114.02 1nvw n ARG 73 Ca -0.08 1.23 0.13 0.00 -0.92 0.00 0.00 57.85 58.21 1nvw n ARG 73 Cb 0.27 -2.24 0.42 0.00 0.45 0.00 0.00 32.46 31.35 1nvw n ARG 73 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1nvw n THR 74 N -4.95 0.62 -2.11 5.15 -2.24 -1.26 -4.84 114.28 104.65 1nvw n THR 74 Ca 0.35 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.53 1nvw n THR 74 Cb 1.21 -0.65 0.01 0.00 -2.10 0.00 0.00 70.33 68.80 1nvw n THR 74 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nvw s GLY 75 N -3.57 2.80 -0.04 3.38 0.00 0.16 -4.82 107.32 105.23 1nvw s GLY 75 Ca 0.10 1.05 0.17 0.00 0.00 0.00 0.00 44.72 46.04 1nvw s GLY 75 CO 0.57 1.52 0.34 1.18 0.00 0.00 0.00 173.10 176.72 1nvw n GLU 76 N -0.73 0.63 -3.83 2.90 1.02 0.29 -4.99 120.64 115.94 1nvw n GLU 76 Ca 0.09 -0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 56.98 1nvw n GLU 76 Cb 0.47 -1.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 1nvw n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1nvw s GLY 77 N -4.14 -0.00 -0.03 0.62 0.00 -1.17 -4.44 107.32 98.15 1nvw s GLY 77 Ca -0.07 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.46 1nvw s GLY 77 CO 0.72 -0.40 -0.09 -1.36 0.00 0.00 0.00 173.10 171.97 1nvw s PHE 78 N -2.56 1.01 -0.39 1.90 0.40 -0.66 -1.39 117.98 116.28 1nvw s PHE 78 Ca -0.05 -0.27 -0.15 0.00 -0.60 0.00 0.00 56.93 55.86 1nvw s PHE 78 Cb -0.01 -0.74 0.01 0.00 0.51 0.00 0.00 43.02 42.79 1nvw s PHE 78 CO -0.04 -0.13 0.30 -1.17 0.70 0.00 0.00 175.22 174.88 1nvw s LEU 79 N 0.33 4.93 -0.80 -0.37 2.96 0.47 -1.59 118.68 124.62 1nvw s LEU 79 Ca -0.06 -0.75 -0.17 0.00 -0.22 0.00 0.00 54.13 52.93 1nvw s LEU 79 Cb -0.10 -2.17 0.15 0.00 0.50 0.00 0.00 46.19 44.57 1nvw s LEU 79 CO 0.01 -0.40 0.88 0.00 -1.32 0.00 0.00 176.35 175.52 1nvw s VAL 81 N 1.82 4.82 0.14 0.00 1.01 -0.66 -1.36 120.40 126.17 1nvw s VAL 81 Ca 0.21 0.54 -0.22 0.00 0.00 0.00 0.00 61.98 62.51 1nvw s VAL 81 Cb -0.12 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.59 1nvw s VAL 81 CO -0.05 -0.48 0.57 0.72 0.00 0.00 0.00 175.10 175.86 1nvw s PHE 82 N -2.32 -0.49 -0.04 5.22 -0.12 -0.57 -4.40 117.98 115.25 1nvw s PHE 82 Ca 0.50 0.32 -0.14 0.00 -0.05 0.00 0.00 56.93 57.56 1nvw s PHE 82 Cb -0.10 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.73 1nvw s PHE 82 CO 0.31 -0.81 0.35 0.00 -0.05 0.00 0.00 175.22 175.03 1nvw s ALA 83 N -3.56 3.70 0.08 1.99 0.00 -1.26 -0.67 121.76 122.05 1nvw s ALA 83 Ca 0.00 -0.31 0.33 0.00 0.00 0.00 0.00 51.96 51.99 1nvw s ALA 83 Cb -0.01 -2.33 1.39 0.00 0.00 0.00 0.00 23.12 22.17 1nvw s ALA 83 CO -0.11 0.44 1.98 -0.84 0.00 0.00 0.00 175.76 177.23 1nvw h ILE 84 N 3.91 0.00 -0.54 0.00 3.07 -1.60 -2.34 117.51 120.01 1nvw h ILE 84 Ca -0.50 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.44 1nvw h ILE 84 Cb 1.21 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.21 1nvw h ILE 84 CO 0.63 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.27 1nvw n ASN 85 N -3.02 4.76 -3.65 2.16 0.23 -1.26 -0.18 115.26 114.29 1nvw n ASN 85 Ca 0.01 -2.65 -0.29 0.00 -0.53 0.00 0.00 54.58 51.11 1nvw n ASN 85 Cb 0.29 -0.58 -0.13 0.00 -2.08 0.00 0.00 39.78 37.29 1nvw n ASN 85 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1nvw s ASN 86 N -1.07 3.42 0.46 0.53 3.84 -0.88 -4.69 114.94 116.56 1nvw s ASN 86 Ca 0.49 -2.62 0.18 0.00 0.21 0.00 0.00 52.86 51.11 1nvw s ASN 86 Cb 0.34 -0.90 1.14 0.00 -0.55 0.00 0.00 41.25 41.29 1nvw s ASN 86 CO 0.19 -0.26 1.96 0.74 -2.79 0.00 0.00 177.10 176.93 1nvw h THR 87 N 5.13 0.80 0.57 -5.21 2.02 -1.86 -2.57 112.91 111.79 1nvw h THR 87 Ca 0.03 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1nvw h THR 87 Cb 0.93 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1nvw h THR 87 CO 0.44 0.05 -0.27 0.50 0.37 0.00 0.00 175.52 176.61 1nvw h LYS 88 N 0.30 -0.73 -0.73 6.66 3.11 -1.94 -0.87 116.57 122.36 1nvw h LYS 88 Ca 0.31 0.05 0.21 0.00 -2.81 0.00 0.00 60.65 58.41 1nvw h LYS 88 Cb 0.82 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 32.19 1nvw h LYS 88 CO -0.08 -0.47 0.53 0.66 -2.81 0.00 0.00 179.45 177.28 1nvw h SER 89 N -0.80 0.00 -0.09 4.20 4.64 -1.81 0.15 113.55 119.84 1nvw h SER 89 Ca -0.08 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.10 1nvw h SER 89 Cb 0.60 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1nvw h SER 89 CO 0.13 0.00 -0.51 0.15 -0.87 0.00 0.00 176.83 175.73 1nvw h PHE 90 N 0.00 0.69 0.00 4.77 3.57 -1.25 -3.03 116.94 121.69 1nvw h PHE 90 Ca 0.35 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1nvw h PHE 90 Cb 1.39 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1nvw h PHE 90 CO -0.00 1.09 0.00 0.39 -2.23 0.00 0.00 178.31 177.56 1nvw n GLU 91 N -4.24 0.22 0.10 1.11 1.02 0.27 -2.29 120.64 116.84 1nvw n GLU 91 Ca -0.08 0.38 -0.03 0.00 -0.02 0.00 0.00 57.16 57.41 1nvw n GLU 91 Cb 0.60 -1.87 0.02 0.00 -0.02 0.00 0.00 31.44 30.17 1nvw n GLU 91 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1nvw h ASP 92 N 0.00 0.00 -0.78 1.62 3.32 -0.76 -3.35 116.42 116.47 1nvw h ASP 92 Ca 0.00 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.19 1nvw h ASP 92 Cb 0.45 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.86 1nvw h ASP 92 CO 0.00 0.76 -0.29 0.40 -1.72 0.00 0.00 179.24 178.39 1nvw h ILE 93 N 0.00 0.14 -0.84 0.35 1.08 -1.41 -1.71 117.51 115.11 1nvw h ILE 93 Ca -0.01 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.68 1nvw h ILE 93 Cb 1.46 0.14 -0.13 0.00 -3.07 0.00 0.00 36.82 35.21 1nvw h ILE 93 CO 0.10 0.00 0.20 -0.74 -0.69 0.00 0.00 178.15 177.02 1nvw h HIS 94 N -0.05 0.30 -0.02 1.37 2.76 -1.77 0.58 115.15 118.31 1nvw h HIS 94 Ca 0.33 0.05 -0.18 0.00 -2.20 0.00 0.00 60.37 58.37 1nvw h HIS 94 Cb 0.58 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 1nvw h HIS 94 CO -0.69 -0.19 -0.77 0.37 -1.30 0.00 0.00 177.93 175.35 1nvw h GLN 95 N 0.22 0.19 -0.69 5.26 5.75 -1.58 -2.39 115.11 121.86 1nvw h GLN 95 Ca 0.51 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.82 1nvw h GLN 95 Cb 1.00 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 1nvw h GLN 95 CO -0.63 0.87 0.35 1.88 -2.65 0.00 0.00 178.83 178.64 1nvw h TYR 96 N 0.12 0.98 -0.69 3.99 0.05 -0.66 0.61 116.97 121.36 1nvw h TYR 96 Ca -0.03 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 1nvw h TYR 96 Cb 1.35 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 1nvw h TYR 96 CO 0.02 0.72 0.20 -0.09 -1.05 0.00 0.00 178.16 177.96 1nvw h ARG 97 N 0.96 1.09 -0.27 4.88 2.43 -1.07 -1.70 114.38 120.69 1nvw h ARG 97 Ca 0.24 -0.24 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1nvw h ARG 97 Cb 0.09 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1nvw h ARG 97 CO -0.03 0.95 -0.26 0.93 -1.51 0.00 0.00 179.97 180.04 1nvw h GLU 98 N 1.02 0.53 -0.42 0.20 4.39 -0.89 -1.14 114.58 118.27 1nvw h GLU 98 Ca 0.22 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 1nvw h GLU 98 Cb 0.33 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1nvw h GLU 98 CO -0.00 0.74 -0.24 0.37 -1.16 0.00 0.00 179.01 178.72 1nvw h GLN 99 N 0.46 0.87 -0.40 2.33 4.15 -0.58 -1.67 115.11 120.28 1nvw h GLN 99 Ca 0.06 -0.37 -0.08 0.00 0.77 0.00 0.00 58.65 59.03 1nvw h GLN 99 Cb 0.70 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1nvw h GLN 99 CO 0.05 1.02 -0.05 0.82 -1.93 0.00 0.00 178.83 178.74 1nvw h ILE 100 N 0.75 1.27 -0.73 2.39 2.04 -1.09 -1.47 117.51 120.66 1nvw h ILE 100 Ca 0.10 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1nvw h ILE 100 Cb 0.79 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1nvw h ILE 100 CO 0.07 0.37 0.45 0.50 0.00 0.00 0.00 178.15 179.54 1nvw h LYS 101 N 0.56 0.99 0.21 2.37 3.64 -1.05 -1.63 116.57 121.65 1nvw h LYS 101 Ca 0.11 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1nvw h LYS 101 Cb 0.55 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1nvw h LYS 101 CO 0.03 0.69 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.71 1nvw h ARG 102 N 1.01 -0.27 -0.30 1.90 2.43 -1.07 -2.16 114.38 115.91 1nvw h ARG 102 Ca 0.26 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1nvw h ARG 102 Cb -0.05 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1nvw h ARG 102 CO -0.05 0.12 0.13 -0.39 -1.51 0.00 0.00 179.97 178.26 1nvw h VAL 103 N -0.84 1.12 -0.00 0.20 -1.51 -1.19 -0.12 116.25 113.91 1nvw h VAL 103 Ca -0.03 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1nvw h VAL 103 Cb 0.51 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1nvw h VAL 103 CO 0.05 0.14 -0.14 0.29 -1.23 0.00 0.00 177.57 176.68 1nvw n LYS 104 N -4.42 0.35 -3.77 5.19 4.76 -0.62 -4.84 118.16 114.81 1nvw n LYS 104 Ca 0.01 -0.10 -0.32 0.00 -2.87 0.00 0.00 58.31 55.03 1nvw n LYS 104 Cb 0.13 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.85 1nvw n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1nvw n ASP 105 N -1.23 -5.10 -3.49 4.39 2.03 -0.06 -4.96 116.55 108.13 1nvw n ASP 105 Ca 0.11 -1.02 -0.10 0.00 0.52 0.00 0.00 54.79 54.30 1nvw n ASP 105 Cb 0.30 -2.71 -0.02 0.00 -0.72 0.00 0.00 41.12 37.96 1nvw n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1nvw s SER 106 N -3.36 -0.42 -0.00 1.67 0.15 -0.97 -5.03 113.70 105.74 1nvw s SER 106 Ca 0.36 0.05 0.14 0.00 0.70 0.00 0.00 55.95 57.19 1nvw s SER 106 Cb -0.16 0.44 -0.15 0.00 -1.71 0.00 0.00 66.02 64.43 1nvw s SER 106 CO 0.89 -0.69 0.55 -0.67 1.20 0.00 0.00 173.24 174.52 1nvw n ASP 107 N -0.18 0.76 -3.56 5.45 2.03 -1.26 -4.63 116.55 115.16 1nvw n ASP 107 Ca -0.11 -0.74 -0.30 0.00 0.52 0.00 0.00 54.79 54.17 1nvw n ASP 107 Cb 0.62 1.07 -0.07 0.00 -0.72 0.00 0.00 41.12 42.02 1nvw n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1nvw n ASP 108 N -1.39 4.15 -4.64 1.67 2.03 -1.26 -5.05 116.55 112.06 1nvw n ASP 108 Ca 0.02 -3.42 -0.37 0.00 0.52 0.00 0.00 54.79 51.54 1nvw n ASP 108 Cb 0.23 -0.78 -0.10 0.00 -0.72 0.00 0.00 41.12 39.75 1nvw n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1nvw s VAL 109 N -2.44 5.32 -0.12 5.18 1.01 -1.26 -5.04 120.40 123.06 1nvw s VAL 109 Ca 0.37 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1nvw s VAL 109 Cb 0.12 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 1nvw s VAL 109 CO -0.01 0.30 2.09 -2.65 0.00 0.00 0.00 175.10 174.84 1nvw n PRO 110 N 4.56 2.27 -3.69 2.72 -0.02 -1.26 -4.96 135.00 134.62 1nvw n PRO 110 Ca -0.14 0.75 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1nvw n PRO 110 Cb 0.52 -3.03 -0.05 0.00 -0.02 0.00 0.00 33.50 30.92 1nvw n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvw s MET 111 N 5.37 1.11 0.01 -0.52 0.23 -1.26 -1.66 119.30 122.58 1nvw s MET 111 Ca 0.96 -0.79 0.04 0.00 -1.03 0.00 0.00 55.69 54.88 1nvw s MET 111 Cb -0.45 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.29 1nvw s MET 111 CO 0.41 -0.44 -0.13 0.08 -2.03 0.00 0.00 175.02 172.91 1nvw s VAL 112 N -3.83 1.04 -0.19 5.16 1.01 -0.62 -4.31 120.40 118.66 1nvw s VAL 112 Ca 0.05 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1nvw s VAL 112 Cb 0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1nvw s VAL 112 CO -0.09 0.14 0.32 -0.22 0.00 0.00 0.00 175.10 175.25 1nvw s LEU 113 N -0.71 4.19 -0.17 3.92 2.96 -0.51 -0.90 118.68 127.47 1nvw s LEU 113 Ca 0.03 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1nvw s LEU 113 Cb -0.06 -2.41 0.03 0.00 0.50 0.00 0.00 46.19 44.25 1nvw s LEU 113 CO 0.00 0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.22 1nvw s VAL 114 N 0.89 1.68 -0.39 1.68 1.01 -0.46 -1.52 120.40 123.29 1nvw s VAL 114 Ca 0.17 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 1nvw s VAL 114 Cb -0.14 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1nvw s VAL 114 CO 0.06 0.41 0.39 -0.83 0.00 0.00 0.00 175.10 175.12 1nvw s GLY 115 N 1.43 1.91 -0.04 4.51 0.00 -0.51 -1.51 107.32 113.12 1nvw s GLY 115 Ca 0.04 -1.41 -0.02 0.00 0.00 0.00 0.00 44.72 43.32 1nvw s GLY 115 CO -0.11 1.06 0.10 0.21 0.00 0.00 0.00 173.10 174.36 1nvw s ASN 116 N 1.76 5.86 -0.42 1.64 2.47 0.16 -0.14 114.94 126.27 1nvw s ASN 116 Ca 0.11 0.24 -0.11 0.00 0.42 0.00 0.00 52.86 53.52 1nvw s ASN 116 Cb -0.17 -1.75 0.07 0.00 -1.45 0.00 0.00 41.25 37.95 1nvw s ASN 116 CO 0.12 0.31 0.28 -0.75 -3.72 0.00 0.00 177.10 173.35 1nvw s LYS 117 N -1.54 2.73 -0.10 0.43 2.20 0.15 -1.50 119.74 122.12 1nvw s LYS 117 Ca 0.21 -1.37 -0.15 0.00 -0.36 0.00 0.00 55.97 54.30 1nvw s LYS 117 Cb -0.12 -3.86 -0.12 0.00 -1.51 0.00 0.00 37.83 32.22 1nvw s LYS 117 CO 0.12 -0.93 0.48 0.00 -0.36 0.00 0.00 175.35 174.66 1nvw n ASP 119 N -4.78 0.79 -1.46 0.00 5.75 -1.26 -4.86 116.55 110.72 1nvw n ASP 119 Ca -0.05 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.83 1nvw n ASP 119 Cb 0.22 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.65 1nvw n ASP 119 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nvw n LEU 120 N 0.00 4.37 -4.33 -2.12 7.99 -1.26 -5.00 117.00 116.65 1nvw n LEU 120 Ca 0.00 -2.24 -0.30 0.00 -0.01 0.00 0.00 56.01 53.46 1nvw n LEU 120 Cb 0.00 -0.53 0.28 0.00 -0.11 0.00 0.00 43.42 43.06 1nvw n LEU 120 CO 0.00 0.90 0.43 0.00 -1.51 0.00 0.00 177.39 177.20 1nvw s ALA 121 N -1.45 -0.69 -0.33 -1.18 0.00 -1.26 -4.91 121.76 111.94 1nvw s ALA 121 Ca 0.50 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 1nvw s ALA 121 Cb 0.29 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1nvw s ALA 121 CO 0.29 -4.48 1.17 0.00 0.00 0.00 0.00 175.76 172.74 1nvw s ALA 122 N -2.32 3.41 0.38 0.00 0.00 -1.26 -4.99 121.76 116.98 1nvw s ALA 122 Ca 0.69 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.35 1nvw s ALA 122 Cb -0.15 -3.74 -0.11 0.00 0.00 0.00 0.00 23.12 19.12 1nvw s ALA 122 CO 0.59 -1.68 1.09 -2.13 0.00 0.00 0.00 175.76 173.63 1nvw n ARG 123 N 7.15 1.56 0.00 0.00 0.63 -1.26 -4.59 116.66 120.16 1nvw n ARG 123 Ca 0.13 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1nvw n ARG 123 Cb 0.47 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.28 1nvw n ARG 123 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1nvw n THR 124 N -0.19 0.00 -4.05 5.15 -2.24 0.75 -4.91 114.28 108.79 1nvw n THR 124 Ca 0.08 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.26 1nvw n THR 124 Cb 0.37 1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 1nvw n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nvw s VAL 125 N -0.24 1.75 0.19 2.28 1.01 -0.26 -4.86 120.40 120.26 1nvw s VAL 125 Ca 0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1nvw s VAL 125 Cb 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 36.38 34.65 1nvw s VAL 125 CO 0.00 0.43 0.71 -1.61 0.00 0.00 0.00 175.10 174.63 1nvw s GLU 126 N 1.41 4.30 0.48 2.72 0.41 -1.26 -4.90 118.70 121.85 1nvw s GLU 126 Ca 0.04 0.89 0.25 0.00 -0.41 0.00 0.00 54.97 55.74 1nvw s GLU 126 Cb -0.14 -3.00 1.30 0.00 -1.78 0.00 0.00 34.13 30.51 1nvw s GLU 126 CO -0.11 0.46 1.86 0.66 -0.49 0.00 0.00 175.26 177.65 1nvw h SER 127 N 3.74 0.20 -0.78 -0.19 4.64 -1.99 0.53 113.55 119.70 1nvw h SER 127 Ca -0.48 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 1nvw h SER 127 Cb 1.20 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1nvw h SER 127 CO 0.65 0.07 0.48 -0.09 -0.87 0.00 0.00 176.83 177.07 1nvw h ARG 128 N 0.19 0.89 -0.42 4.77 9.65 -1.99 0.52 114.38 127.99 1nvw h ARG 128 Ca 0.46 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 59.35 1nvw h ARG 128 Cb 1.51 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 29.84 1nvw h ARG 128 CO -0.10 0.59 0.13 1.96 2.80 0.00 0.00 179.97 185.36 1nvw h GLN 129 N 0.92 0.28 0.03 0.20 4.20 -1.28 -0.83 115.11 118.64 1nvw h GLN 129 Ca 0.33 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 1nvw h GLN 129 Cb 0.08 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1nvw h GLN 129 CO -0.14 0.19 -0.02 0.00 -0.67 0.00 0.00 178.83 178.19 1nvw h ALA 130 N 1.29 -0.04 -0.61 3.87 0.00 -1.23 -1.50 119.26 121.03 1nvw h ALA 130 Ca 0.20 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.09 1nvw h ALA 130 Cb 0.20 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1nvw h ALA 130 CO -0.22 -0.38 -0.01 1.96 0.00 0.00 0.00 179.25 180.60 1nvw h GLN 131 N -0.33 0.10 -0.72 0.00 1.08 0.33 0.54 115.11 116.11 1nvw h GLN 131 Ca -0.00 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1nvw h GLN 131 Cb 0.31 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1nvw h GLN 131 CO 0.01 0.07 0.22 -0.44 -0.95 0.00 0.00 178.83 177.74 1nvw h ASP 132 N 0.10 1.05 -0.13 1.46 3.32 -1.08 0.15 116.42 121.30 1nvw h ASP 132 Ca 0.32 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1nvw h ASP 132 Cb 0.51 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1nvw h ASP 132 CO -0.54 0.98 0.01 0.25 -1.72 0.00 0.00 179.24 178.23 1nvw h LEU 133 N 1.07 0.22 -1.06 1.55 5.85 -0.07 -0.91 115.31 121.96 1nvw h LEU 133 Ca 0.23 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1nvw h LEU 133 Cb 0.31 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 1nvw h LEU 133 CO -0.01 0.44 0.63 0.00 -0.34 0.00 0.00 178.44 179.16 1nvw h ALA 134 N 0.78 1.45 -0.34 1.25 0.00 0.21 -2.09 119.26 120.53 1nvw h ALA 134 Ca 0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1nvw h ALA 134 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nvw h ALA 134 CO 0.00 0.40 -0.41 -0.09 0.00 0.00 0.00 179.25 179.15 1nvw h ARG 135 N 1.11 0.84 0.00 0.00 2.43 -0.43 0.07 114.38 118.40 1nvw h ARG 135 Ca 0.42 -0.45 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1nvw h ARG 135 Cb 0.20 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1nvw h ARG 135 CO -0.17 1.09 -0.15 0.66 -1.51 0.00 0.00 179.97 179.90 1nvw h SER 136 N 0.68 0.00 0.41 -3.80 4.64 -0.52 -0.04 113.55 114.92 1nvw h SER 136 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nvw h SER 136 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1nvw h SER 136 CO 0.09 0.15 -0.36 -1.22 -0.87 0.00 0.00 176.83 174.62 1nvw n TYR 137 N -4.07 0.00 -2.91 4.77 4.01 -0.88 -4.94 117.16 113.13 1nvw n TYR 137 Ca -0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 1nvw n TYR 137 Cb 0.23 -0.21 0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1nvw n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvw n GLY 138 N 1.42 0.27 3.20 2.72 0.00 -0.03 -5.04 105.19 107.74 1nvw n GLY 138 Ca 0.09 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1nvw n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nvw s ILE 139 N -3.08 0.63 0.52 -0.61 -4.36 -0.07 -5.02 121.20 109.21 1nvw s ILE 139 Ca 0.24 -1.96 -0.21 0.00 -0.26 0.00 0.00 60.65 58.47 1nvw s ILE 139 Cb -0.10 -1.94 -0.06 0.00 1.25 0.00 0.00 42.46 41.61 1nvw s ILE 139 CO 0.29 -0.63 1.16 -2.84 0.24 0.00 0.00 174.94 173.16 1nvw s PRO 140 N -3.90 3.44 -0.11 0.37 0.02 -1.26 -4.26 135.00 129.30 1nvw s PRO 140 Ca 0.19 1.71 0.03 0.00 0.02 0.00 0.00 61.00 62.95 1nvw s PRO 140 Cb 0.06 -2.14 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1nvw s PRO 140 CO 0.00 -0.80 -0.21 -0.47 -0.33 0.00 0.00 177.00 175.19 1nvw s TYR 141 N -1.66 2.45 -0.04 6.54 5.04 -1.26 -1.42 117.35 126.99 1nvw s TYR 141 Ca 0.70 -1.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.24 1nvw s TYR 141 Cb -0.27 -1.66 0.02 0.00 0.35 0.00 0.00 41.96 40.40 1nvw s TYR 141 CO 0.31 -0.48 -0.04 0.42 -1.34 0.00 0.00 175.55 174.41 1nvw s ILE 142 N 0.60 0.53 -0.03 3.14 1.01 -0.58 -5.00 121.20 120.87 1nvw s ILE 142 Ca -0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1nvw s ILE 142 Cb -0.17 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1nvw s ILE 142 CO 0.04 0.22 0.22 -1.61 0.00 0.00 0.00 174.94 173.81 1nvw s GLU 143 N 0.91 3.53 0.21 2.79 2.02 -1.26 -1.42 118.70 125.47 1nvw s GLU 143 Ca -0.11 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1nvw s GLU 143 Cb -0.14 -3.12 -0.05 0.00 0.10 0.00 0.00 34.13 30.92 1nvw s GLU 143 CO 0.00 0.70 0.08 0.95 0.02 0.00 0.00 175.26 177.01 1nvw s THR 144 N -1.21 0.34 -0.43 3.63 -4.23 0.80 -4.61 115.64 109.94 1nvw s THR 144 Ca 0.23 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 58.83 1nvw s THR 144 Cb -0.13 -2.41 0.25 0.00 1.34 0.00 0.00 72.50 71.54 1nvw s THR 144 CO 0.13 -0.16 0.66 -0.24 -0.54 0.00 0.00 174.62 174.47 1nvw n SER 145 N -0.31 -0.97 0.08 3.99 2.88 -0.69 -0.67 113.62 117.92 1nvw n SER 145 Ca -0.01 -2.92 0.18 0.00 -1.33 0.00 0.00 58.87 54.79 1nvw n SER 145 Cb 0.65 0.28 0.49 0.00 -0.75 0.00 0.00 64.21 64.88 1nvw n SER 145 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nvw h ALA 146 N 4.01 2.25 0.00 -1.46 0.00 -1.79 0.82 119.26 123.09 1nvw h ALA 146 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1nvw h ALA 146 Cb 0.94 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1nvw h ALA 146 CO 0.41 -1.06 -0.29 -0.22 0.00 0.00 0.00 179.25 178.09 1nvw h LYS 147 N 0.00 0.00 0.00 0.00 3.64 -1.89 -2.94 116.57 115.38 1nvw h LYS 147 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1nvw h LYS 147 Cb 1.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 1nvw h LYS 147 CO -0.00 0.29 0.00 0.25 -2.27 0.00 0.00 179.45 177.72 1nvw n THR 148 N -3.86 0.96 -2.43 1.00 -2.24 0.27 -4.99 114.28 102.99 1nvw n THR 148 Ca -0.02 -0.98 -0.20 0.00 -2.27 0.00 0.00 64.05 60.59 1nvw n THR 148 Cb 0.37 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 1nvw n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nvw n ARG 149 N -0.48 -1.86 -3.53 -0.78 1.74 -0.17 -4.97 116.66 106.61 1nvw n ARG 149 Ca 0.00 0.95 -0.37 0.00 -0.77 0.00 0.00 57.85 57.66 1nvw n ARG 149 Cb 0.25 -5.62 -0.08 0.00 -1.02 0.00 0.00 32.46 25.99 1nvw n ARG 149 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nvw s GLN 150 N -5.07 4.13 0.00 5.56 -0.21 -1.13 -4.28 119.66 118.66 1nvw s GLN 150 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.36 1nvw s GLN 150 Cb -0.00 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.47 1nvw s GLN 150 CO 0.01 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 1nvw n GLY 151 N 4.06 1.85 0.50 3.09 0.00 -1.26 -1.71 105.19 111.72 1nvw n GLY 151 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1nvw n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nvw h VAL 152 N 0.00 0.00 -0.79 1.61 2.07 -1.89 -0.77 116.25 116.48 1nvw h VAL 152 Ca 0.00 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1nvw h VAL 152 Cb 0.00 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.69 1nvw h VAL 152 CO 0.00 0.00 0.40 -0.33 0.02 0.00 0.00 177.57 177.66 1nvw h GLU 153 N -1.28 0.60 -0.57 1.57 5.08 -1.92 -1.53 114.58 116.53 1nvw h GLU 153 Ca -0.13 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1nvw h GLU 153 Cb 0.97 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.02 1nvw h GLU 153 CO 0.21 0.40 0.21 0.22 -1.00 0.00 0.00 179.01 179.05 1nvw h ASP 154 N 0.62 0.21 -0.41 1.42 3.58 -1.93 0.30 116.42 120.21 1nvw h ASP 154 Ca 0.41 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.91 1nvw h ASP 154 Cb 0.52 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1nvw h ASP 154 CO -0.32 0.13 0.17 0.00 -2.88 0.00 0.00 179.24 176.34 1nvw h ALA 155 N 1.38 0.53 -0.03 -0.78 0.00 -0.10 -0.27 119.26 119.99 1nvw h ALA 155 Ca 0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1nvw h ALA 155 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1nvw h ALA 155 CO -0.28 0.13 -0.14 0.74 0.00 0.00 0.00 179.25 179.70 1nvw h PHE 156 N 0.52 0.21 -0.66 0.00 0.04 -1.16 -2.74 116.94 113.15 1nvw h PHE 156 Ca 0.14 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.86 1nvw h PHE 156 Cb 0.18 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 1nvw h PHE 156 CO -0.00 0.78 0.44 1.88 -0.60 0.00 0.00 178.31 180.81 1nvw h TYR 157 N -0.42 0.73 -0.60 -0.55 -1.99 -0.41 0.04 116.97 113.77 1nvw h TYR 157 Ca -0.01 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.65 1nvw h TYR 157 Cb 0.79 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1nvw h TYR 157 CO 0.14 0.41 0.01 1.15 -0.00 0.00 0.00 178.16 179.87 1nvw h THR 158 N 0.74 1.26 -0.70 -2.88 2.02 -1.06 -1.21 112.91 111.09 1nvw h THR 158 Ca 0.27 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.25 1nvw h THR 158 Cb 0.15 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1nvw h THR 158 CO -0.08 0.41 0.17 0.25 0.37 0.00 0.00 175.52 176.64 1nvw h LEU 159 N 0.95 1.06 -0.86 2.58 5.85 -0.78 -1.58 115.31 122.54 1nvw h LEU 159 Ca 0.17 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1nvw h LEU 159 Cb 0.54 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1nvw h LEU 159 CO 0.03 1.02 0.06 0.58 -0.34 0.00 0.00 178.44 179.79 1nvw h VAL 160 N 1.06 1.25 -0.76 1.05 2.07 -0.68 -1.99 116.25 118.25 1nvw h VAL 160 Ca 0.22 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1nvw h VAL 160 Cb 0.37 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1nvw h VAL 160 CO 0.00 0.36 0.31 0.03 0.02 0.00 0.00 177.57 178.30 1nvw h ARG 161 N 0.85 1.11 -0.94 1.57 3.08 -0.84 -1.09 114.38 118.12 1nvw h ARG 161 Ca 0.17 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1nvw h ARG 161 Cb 0.42 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1nvw h ARG 161 CO 0.01 0.89 0.62 0.93 -1.07 0.00 0.00 179.97 181.35 1nvw h GLU 162 N 1.09 1.19 -0.36 0.04 4.39 -0.65 -1.11 114.58 119.17 1nvw h GLU 162 Ca 0.26 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.77 1nvw h GLU 162 Cb 0.19 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1nvw h GLU 162 CO -0.02 0.78 -0.23 0.82 -1.16 0.00 0.00 179.01 179.20 1nvw h ILE 163 N 1.22 1.29 0.00 3.13 2.04 -0.67 -2.46 117.51 122.07 1nvw h ILE 163 Ca 0.36 -1.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 1nvw h ILE 163 Cb -0.06 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1nvw h ILE 163 CO -0.10 0.45 -0.22 0.03 0.00 0.00 0.00 178.15 178.31 1nvw h ARG 164 N 0.58 0.00 -0.72 2.37 3.08 -0.76 -2.57 114.38 116.37 1nvw h ARG 164 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1nvw h ARG 164 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1nvw h ARG 164 CO 0.06 0.22 0.00 1.04 -1.07 0.00 0.00 179.97 180.22 1nvw n GLN 165 N -4.14 2.67 0.00 0.04 6.02 -0.46 -5.10 117.38 116.40 1nvw n GLN 165 Ca -0.02 -2.59 0.14 0.00 -0.01 0.00 0.00 57.00 54.52 1nvw n GLN 165 Cb 0.28 -1.56 0.56 0.00 1.02 0.00 0.00 30.24 30.55 1nvw n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63