#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvv s THR 2 N 0.00 4.31 -0.13 3.17 2.01 -1.26 -4.90 115.64 118.84 1nvv s THR 2 Ca 0.00 1.98 -0.01 0.00 0.31 0.00 0.00 61.69 63.98 1nvv s THR 2 Cb 0.00 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 1nvv s THR 2 CO 0.00 0.34 -0.11 -0.70 -0.69 0.00 0.00 174.62 173.45 1nvv s GLU 3 N -0.24 3.44 -0.19 4.92 2.12 -1.26 -0.59 118.70 126.90 1nvv s GLU 3 Ca 0.47 -0.65 -0.06 0.00 0.36 0.00 0.00 54.97 55.09 1nvv s GLU 3 Cb -0.25 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 1nvv s GLU 3 CO 0.31 0.23 0.02 0.71 -0.54 0.00 0.00 175.26 175.99 1nvv s TYR 4 N 0.34 3.10 -0.46 5.30 2.02 0.15 -4.95 117.35 122.84 1nvv s TYR 4 Ca -0.09 -0.26 -0.19 0.00 -0.37 0.00 0.00 57.07 56.15 1nvv s TYR 4 Cb -0.16 -2.08 0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1nvv s TYR 4 CO 0.05 -0.10 0.59 0.15 -1.57 0.00 0.00 175.55 174.67 1nvv s LYS 5 N 0.79 3.17 -0.12 -0.62 1.02 -1.26 -0.69 119.74 122.03 1nvv s LYS 5 Ca 0.01 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 1nvv s LYS 5 Cb -0.14 -4.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.13 1nvv s LYS 5 CO 0.02 -1.07 -0.08 -0.51 -0.92 0.00 0.00 175.35 172.79 1nvv s LEU 6 N 2.59 3.03 -0.14 3.17 1.43 -0.39 -0.38 118.68 127.99 1nvv s LEU 6 Ca 0.17 -0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1nvv s LEU 6 Cb -0.17 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1nvv s LEU 6 CO 0.15 0.23 -0.08 -0.69 0.23 0.00 0.00 176.35 176.19 1nvv s VAL 7 N -0.02 3.54 -0.33 -1.59 1.01 -0.77 -0.42 120.40 121.82 1nvv s VAL 7 Ca -0.01 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1nvv s VAL 7 Cb -0.14 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1nvv s VAL 7 CO 0.03 0.52 0.22 -0.69 0.00 0.00 0.00 175.10 175.18 1nvv s VAL 8 N 0.22 5.14 0.20 2.92 1.01 -1.12 -0.99 120.40 127.77 1nvv s VAL 8 Ca -0.05 -0.27 0.11 0.00 0.00 0.00 0.00 61.98 61.78 1nvv s VAL 8 Cb -0.14 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1nvv s VAL 8 CO 0.04 0.00 -0.23 0.68 0.00 0.00 0.00 175.10 175.59 1nvv s VAL 9 N 1.70 2.40 0.00 2.92 -7.23 0.06 -4.69 120.40 115.56 1nvv s VAL 9 Ca 0.06 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1nvv s VAL 9 Cb -0.17 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1nvv s VAL 9 CO 0.10 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1nvv n GLY 10 N 0.22 2.34 3.72 2.32 0.00 -1.26 -1.28 105.19 111.26 1nvv n GLY 10 Ca -0.12 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1nvv n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nvv s ALA 11 N -2.00 2.06 0.54 4.61 0.00 -1.26 -4.97 121.76 120.74 1nvv s ALA 11 Ca 0.00 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 1nvv s ALA 11 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1nvv s ALA 11 CO 0.00 -1.96 1.21 0.20 0.00 0.00 0.00 175.76 175.22 1nvv s GLY 12 N -2.34 2.76 0.00 0.00 0.00 -1.26 -3.53 107.32 102.96 1nvv s GLY 12 Ca 0.71 1.02 0.00 0.00 0.00 0.00 0.00 44.72 46.45 1nvv s GLY 12 CO 0.48 1.44 0.00 0.61 0.00 0.00 0.00 173.10 175.63 1nvv n GLY 13 N 0.48 0.43 0.91 0.20 0.00 -1.26 -4.92 105.19 101.03 1nvv n GLY 13 Ca 0.11 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.55 1nvv n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nvv n VAL 14 N -2.99 0.10 -0.59 1.61 0.24 -1.23 -4.94 118.33 110.52 1nvv n VAL 14 Ca 0.00 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1nvv n VAL 14 Cb 0.00 1.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1nvv n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nvv n GLY 15 N 1.26 0.92 0.34 7.63 0.00 -1.26 -4.60 105.19 109.48 1nvv n GLY 15 Ca 0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1nvv n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvv h LYS 16 N 0.00 1.13 -0.55 1.61 1.57 -1.93 -2.32 116.57 116.07 1nvv h LYS 16 Ca 0.00 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1nvv h LYS 16 Cb 0.15 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1nvv h LYS 16 CO 0.00 0.75 0.16 1.03 -0.57 0.00 0.00 179.45 180.81 1nvv h SER 17 N 1.16 0.81 -0.77 0.86 0.87 -1.95 -2.56 113.55 111.97 1nvv h SER 17 Ca 0.35 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1nvv h SER 17 Cb -0.05 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 1nvv h SER 17 CO -0.10 0.81 0.30 0.00 -0.53 0.00 0.00 176.83 177.31 1nvv h ALA 18 N 1.03 1.06 0.05 6.23 0.00 -1.88 -1.19 119.26 124.57 1nvv h ALA 18 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nvv h ALA 18 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nvv h ALA 18 CO -0.00 0.66 -0.05 -0.07 0.00 0.00 0.00 179.25 179.79 1nvv h LEU 19 N 1.13 -0.13 -0.62 0.00 3.38 -1.23 0.10 115.31 117.95 1nvv h LEU 19 Ca 0.26 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1nvv h LEU 19 Cb 0.23 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1nvv h LEU 19 CO -0.02 -0.08 0.36 0.74 0.09 0.00 0.00 178.44 179.53 1nvv h THR 20 N -0.11 1.19 -0.30 0.22 2.02 -1.29 -1.83 112.91 112.82 1nvv h THR 20 Ca 0.00 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1nvv h THR 20 Cb 0.11 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1nvv h THR 20 CO -0.02 0.21 0.14 0.40 0.37 0.00 0.00 175.52 176.62 1nvv h ILE 21 N 0.85 1.16 -0.61 3.11 2.04 -0.98 -1.54 117.51 121.54 1nvv h ILE 21 Ca 0.22 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1nvv h ILE 21 Cb 0.02 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1nvv h ILE 21 CO -0.04 0.17 0.40 1.56 0.00 0.00 0.00 178.15 180.25 1nvv h GLN 22 N 0.35 0.78 -0.13 2.37 1.08 -0.55 -0.88 115.11 118.14 1nvv h GLN 22 Ca 0.10 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 1nvv h GLN 22 Cb 0.14 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1nvv h GLN 22 CO -0.01 0.52 -0.32 1.25 -0.95 0.00 0.00 178.83 179.31 1nvv h LEU 23 N 0.80 0.50 0.00 1.46 5.85 -0.98 -3.41 115.31 119.54 1nvv h LEU 23 Ca 0.23 -0.58 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 1nvv h LEU 23 Cb -0.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1nvv h LEU 23 CO -0.05 0.99 -0.46 0.40 -0.34 0.00 0.00 178.44 178.98 1nvv h ILE 24 N 0.03 0.67 -3.42 4.05 1.08 -1.09 -3.49 117.51 115.34 1nvv h ILE 24 Ca -0.00 -1.63 -0.54 0.00 -0.39 0.00 0.00 64.86 62.30 1nvv h ILE 24 Cb 0.93 1.39 0.21 0.00 -3.07 0.00 0.00 36.82 36.28 1nvv h ILE 24 CO 0.07 0.23 -0.47 0.00 -0.69 0.00 0.00 178.15 177.29 1nvv n GLN 25 N -4.61 -0.13 -2.71 2.37 10.64 -0.35 -4.94 117.38 117.65 1nvv n GLN 25 Ca -0.13 0.01 -0.42 0.00 -1.83 0.00 0.00 57.00 54.63 1nvv n GLN 25 Cb 0.36 -1.89 -0.03 0.00 -0.86 0.00 0.00 30.24 27.82 1nvv n GLN 25 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1nvv s ASN 26 N -1.91 7.22 0.00 2.61 3.84 -1.26 -4.94 114.94 120.50 1nvv s ASN 26 Ca 0.60 1.50 0.28 0.00 0.21 0.00 0.00 52.86 55.45 1nvv s ASN 26 Cb -0.25 -2.55 1.14 0.00 -0.55 0.00 0.00 41.25 39.05 1nvv s ASN 26 CO 0.64 -0.44 1.82 1.41 -2.79 0.00 0.00 177.10 177.74 1nvv n HIS 27 N 5.03 0.00 -2.32 0.43 8.25 -1.26 -4.11 115.22 121.24 1nvv n HIS 27 Ca 0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.32 1nvv n HIS 27 Cb 0.49 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 31.33 1nvv n HIS 27 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1nvv n PHE 28 N -1.22 2.79 -4.19 4.41 3.01 -1.26 -5.00 117.46 116.00 1nvv n PHE 28 Ca 0.11 -2.63 -0.16 0.00 1.01 0.00 0.00 57.45 55.78 1nvv n PHE 28 Cb 0.30 -0.23 -0.14 0.00 -0.01 0.00 0.00 39.48 39.40 1nvv n PHE 28 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1nvv s VAL 29 N -4.82 0.49 0.27 -4.37 1.01 -1.26 -5.07 120.40 106.65 1nvv s VAL 29 Ca 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1nvv s VAL 29 Cb 0.40 -0.43 0.15 0.00 0.00 0.00 0.00 36.38 36.51 1nvv s VAL 29 CO -0.06 0.09 1.82 0.44 0.00 0.00 0.00 175.10 177.38 1nvv h ASP 30 N 5.85 0.80 -4.41 3.32 3.32 -1.94 -3.45 116.42 119.92 1nvv h ASP 30 Ca -0.29 -0.14 -0.67 0.00 0.02 0.00 0.00 57.03 55.95 1nvv h ASP 30 Cb 1.19 -0.21 -0.28 0.00 0.22 0.00 0.00 39.33 40.25 1nvv h ASP 30 CO 0.49 0.78 -0.87 -1.61 -1.72 0.00 0.00 179.24 176.31 1nvv s GLU 31 N -5.22 1.81 -0.13 3.56 2.02 -1.26 -5.12 118.70 114.35 1nvv s GLU 31 Ca -0.10 -0.98 0.03 0.00 0.02 0.00 0.00 54.97 53.94 1nvv s GLU 31 Cb 0.15 -1.87 0.01 0.00 0.10 0.00 0.00 34.13 32.52 1nvv s GLU 31 CO 0.80 0.50 -0.21 -0.47 0.02 0.00 0.00 175.26 175.90 1nvv s TYR 32 N -0.70 2.54 -0.37 1.61 5.04 -1.26 -5.05 117.35 119.15 1nvv s TYR 32 Ca 0.10 -1.24 0.02 0.00 -2.44 0.00 0.00 57.07 53.52 1nvv s TYR 32 Cb -0.10 -1.73 0.11 0.00 0.35 0.00 0.00 41.96 40.59 1nvv s TYR 32 CO 0.01 -0.56 0.12 0.34 -1.34 0.00 0.00 175.55 174.11 1nvv s ASP 33 N 0.78 4.32 0.09 4.32 -1.08 -1.26 -4.95 116.67 118.88 1nvv s ASP 33 Ca -0.09 -2.20 0.12 0.00 -0.52 0.00 0.00 52.55 49.87 1nvv s ASP 33 Cb -0.16 -1.32 0.55 0.00 -1.46 0.00 0.00 42.92 40.53 1nvv s ASP 33 CO -0.00 -0.35 1.37 -0.81 0.52 0.00 0.00 175.17 175.90 1nvv n PRO 34 N 4.16 0.05 0.00 4.34 -0.04 -1.26 -2.15 135.00 140.11 1nvv n PRO 34 Ca 0.03 0.42 0.03 0.00 -0.04 0.00 0.00 63.50 63.94 1nvv n PRO 34 Cb 0.39 -1.63 0.17 0.00 -0.04 0.00 0.00 33.50 32.39 1nvv n PRO 34 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1nvv n THR 35 N -1.73 0.00 -4.27 0.52 -1.04 -1.26 -4.77 114.28 101.73 1nvv n THR 35 Ca 0.01 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.69 1nvv n THR 35 Cb 0.10 -0.21 -0.09 0.00 -1.82 0.00 0.00 70.33 68.32 1nvv n THR 35 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1nvv s ILE 36 N -2.00 4.27 0.74 12.58 -1.09 -0.91 -5.10 121.20 129.69 1nvv s ILE 36 Ca 0.08 -0.52 -0.16 0.00 -2.23 0.00 0.00 60.65 57.83 1nvv s ILE 36 Cb 0.04 -2.89 0.01 0.00 -1.58 0.00 0.00 42.46 38.03 1nvv s ILE 36 CO 0.06 0.41 0.89 -0.62 -1.23 0.00 0.00 174.94 174.46 1nvv n GLU 37 N 1.48 0.40 -1.28 2.79 1.02 -1.26 -3.11 120.64 120.68 1nvv n GLU 37 Ca -0.15 0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 1nvv n GLU 37 Cb 0.53 -2.16 -0.04 0.00 -0.02 0.00 0.00 31.44 29.75 1nvv n GLU 37 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1nvv n ASP 38 N -1.59 -4.52 -0.65 1.62 8.00 -1.26 -4.86 116.55 113.29 1nvv n ASP 38 Ca 0.12 0.24 0.02 0.00 0.71 0.00 0.00 54.79 55.88 1nvv n ASP 38 Cb 0.50 -2.87 0.08 0.00 -0.02 0.00 0.00 41.12 38.82 1nvv n ASP 38 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1nvv n SER 39 N -0.08 1.67 0.00 -2.24 3.41 -1.18 -3.16 113.62 112.04 1nvv n SER 39 Ca -0.10 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 1nvv n SER 39 Cb 0.38 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1nvv n SER 39 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nvv n TYR 40 N 0.09 0.00 -3.95 7.33 4.01 -1.26 -4.94 117.16 118.43 1nvv n TYR 40 Ca 0.06 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.53 1nvv n TYR 40 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 1nvv n TYR 40 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1nvv s ARG 41 N -0.57 3.39 -0.30 -0.72 1.81 -1.19 -1.08 118.95 120.29 1nvv s ARG 41 Ca 0.00 -0.59 -0.11 0.00 -1.72 0.00 0.00 55.73 53.31 1nvv s ARG 41 Cb 0.00 -2.95 0.16 0.00 -0.45 0.00 0.00 34.95 31.72 1nvv s ARG 41 CO 0.00 0.53 0.84 0.21 -0.68 0.00 0.00 175.30 176.20 1nvv s LYS 42 N -3.08 0.40 -0.08 3.54 2.47 -0.78 -4.98 119.74 117.23 1nvv s LYS 42 Ca 0.34 0.90 -0.26 0.00 -1.56 0.00 0.00 55.97 55.39 1nvv s LYS 42 Cb -0.11 0.53 -0.03 0.00 -1.46 0.00 0.00 37.83 36.76 1nvv s LYS 42 CO 0.28 -0.25 0.82 -1.14 0.16 0.00 0.00 175.35 175.22 1nvv s GLN 43 N 2.73 4.43 0.16 4.03 0.74 -1.26 -1.48 119.66 129.01 1nvv s GLN 43 Ca 0.02 1.08 -0.02 0.00 0.05 0.00 0.00 55.36 56.49 1nvv s GLN 43 Cb -0.10 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 1nvv s GLN 43 CO -0.17 -0.10 0.10 0.14 -0.55 0.00 0.00 175.29 174.71 1nvv s VAL 44 N 1.30 0.06 -0.20 1.34 -7.23 -0.23 -5.00 120.40 110.44 1nvv s VAL 44 Ca 0.42 -1.91 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1nvv s VAL 44 Cb -0.18 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1nvv s VAL 44 CO 0.19 -0.28 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.91 1nvv s VAL 45 N -4.08 2.93 -0.19 1.32 1.01 -1.26 -0.50 120.40 119.62 1nvv s VAL 45 Ca 0.29 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1nvv s VAL 45 Cb 0.07 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 34.19 1nvv s VAL 45 CO 0.06 0.47 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 1nvv s ILE 46 N 1.37 1.72 -1.32 2.22 1.01 0.14 -4.73 121.20 121.62 1nvv s ILE 46 Ca 0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1nvv s ILE 46 Cb -0.14 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1nvv s ILE 46 CO -0.06 0.25 0.76 0.47 0.00 0.00 0.00 174.94 176.35 1nvv n ASP 47 N 4.67 -1.62 0.00 3.58 8.00 -1.26 -1.35 116.55 128.57 1nvv n ASP 47 Ca -0.16 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1nvv n ASP 47 Cb 0.47 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 1nvv n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nvv n GLY 48 N -1.55 0.71 3.44 0.44 0.00 -1.26 -4.98 105.19 101.98 1nvv n GLY 48 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1nvv n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nvv s GLU 49 N -0.38 3.60 -0.06 1.61 2.12 -0.46 -5.08 118.70 120.05 1nvv s GLU 49 Ca 0.00 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 1nvv s GLU 49 Cb 0.00 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 1nvv s GLU 49 CO 0.00 -0.03 0.94 0.99 -0.54 0.00 0.00 175.26 176.63 1nvv s THR 50 N 1.11 4.86 0.17 -1.70 2.01 -1.26 -0.68 115.64 120.15 1nvv s THR 50 Ca 0.03 1.94 -0.05 0.00 0.31 0.00 0.00 61.69 63.91 1nvv s THR 50 Cb -0.14 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.07 1nvv s THR 50 CO 0.02 0.10 0.21 0.00 -0.69 0.00 0.00 174.62 174.26 1nvv s LEU 52 N -3.04 3.16 -0.19 0.00 2.96 0.24 -1.07 118.68 120.74 1nvv s LEU 52 Ca 0.24 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 53.76 1nvv s LEU 52 Cb 0.05 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1nvv s LEU 52 CO 0.04 0.04 0.32 -0.76 -1.32 0.00 0.00 176.35 174.67 1nvv s LEU 53 N 1.12 4.18 -0.30 -0.68 1.02 -0.55 0.30 118.68 123.78 1nvv s LEU 53 Ca 0.02 0.44 0.00 0.00 0.02 0.00 0.00 54.13 54.62 1nvv s LEU 53 Cb -0.14 -2.39 0.06 0.00 0.02 0.00 0.00 46.19 43.74 1nvv s LEU 53 CO 0.01 0.01 -0.01 -0.62 0.02 0.00 0.00 176.35 175.76 1nvv s ASP 54 N 0.83 4.76 -0.35 2.29 3.68 0.14 -1.86 116.67 126.15 1nvv s ASP 54 Ca 0.16 -1.49 -0.18 0.00 2.13 0.00 0.00 52.55 53.17 1nvv s ASP 54 Cb -0.14 -1.66 -0.00 0.00 -1.45 0.00 0.00 42.92 39.67 1nvv s ASP 54 CO 0.06 -0.28 0.51 -0.63 0.13 0.00 0.00 175.17 174.96 1nvv s ILE 55 N 1.15 5.02 -0.73 4.11 -1.09 -0.24 -1.26 121.20 128.16 1nvv s ILE 55 Ca -0.03 0.33 -0.19 0.00 -2.23 0.00 0.00 60.65 58.53 1nvv s ILE 55 Cb -0.20 -3.96 0.13 0.00 -1.58 0.00 0.00 42.46 36.84 1nvv s ILE 55 CO -0.04 -0.22 0.86 -0.76 -1.23 0.00 0.00 174.94 173.56 1nvv s LEU 56 N 2.39 5.40 -0.17 2.97 1.43 0.44 -4.85 118.68 126.29 1nvv s LEU 56 Ca 0.18 -1.75 0.01 0.00 -1.03 0.00 0.00 54.13 51.54 1nvv s LEU 56 Cb -0.15 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.76 1nvv s LEU 56 CO 0.13 -1.06 -0.17 -0.62 0.23 0.00 0.00 176.35 174.87 1nvv s ASP 57 N 3.41 2.95 -0.34 2.29 2.15 -1.26 -2.80 116.67 123.06 1nvv s ASP 57 Ca 0.19 -0.59 0.06 0.00 0.43 0.00 0.00 52.55 52.65 1nvv s ASP 57 Cb -0.16 -1.34 0.46 0.00 -0.30 0.00 0.00 42.92 41.58 1nvv s ASP 57 CO -0.00 -0.03 1.37 0.35 -0.17 0.00 0.00 175.17 176.69 1nvv n THR 58 N 4.69 2.67 -1.70 1.71 -2.24 -1.26 -5.06 114.28 113.10 1nvv n THR 58 Ca -0.19 -3.70 -0.42 0.00 -2.27 0.00 0.00 64.05 57.47 1nvv n THR 58 Cb 0.50 -0.92 -0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1nvv n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nvv n ALA 59 N -0.85 1.32 0.00 6.98 0.00 -1.26 -1.79 120.51 124.91 1nvv n ALA 59 Ca 0.43 0.34 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1nvv n ALA 59 Cb 0.90 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1nvv n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nvv n GLY 60 N 0.77 1.40 0.93 0.00 0.00 -1.26 -4.88 105.19 102.15 1nvv n GLY 60 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1nvv n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nvv n GLN 61 N -2.00 3.04 -0.14 1.61 6.02 -0.74 -4.69 117.38 120.48 1nvv n GLN 61 Ca 0.00 -2.44 0.20 0.00 -0.01 0.00 0.00 57.00 54.76 1nvv n GLN 61 Cb 0.00 -1.54 0.61 0.00 1.02 0.00 0.00 30.24 30.33 1nvv n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1nvv h GLU 62 N 2.54 0.20 0.00 -1.09 3.07 -1.90 -0.53 114.58 116.87 1nvv h GLU 62 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1nvv h GLU 62 Cb 1.05 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1nvv h GLU 62 CO 0.09 0.13 -0.02 0.93 -1.40 0.00 0.00 179.01 178.75 1nvv h GLU 63 N 0.21 0.00 -3.45 2.33 4.39 -1.97 -3.24 114.58 112.84 1nvv h GLU 63 Ca 0.37 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 59.36 1nvv h GLU 63 Cb 1.15 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 1nvv h GLU 63 CO -0.07 0.02 3.09 0.66 -1.16 0.00 0.00 179.01 181.54 1nvv n TYR 64 N -3.16 2.98 0.26 4.33 4.01 -0.21 -4.74 117.16 120.64 1nvv n TYR 64 Ca -0.01 -2.96 0.11 0.00 -0.16 0.00 0.00 57.90 54.87 1nvv n TYR 64 Cb 0.19 -2.35 0.71 0.00 -0.31 0.00 0.00 39.34 37.58 1nvv n TYR 64 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1nvv h SER 65 N 5.49 0.00 1.14 7.72 4.64 -1.80 -2.16 113.55 128.57 1nvv h SER 65 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1nvv h SER 65 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1nvv h SER 65 CO 1.77 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 177.82 1nvv n ALA 66 N -2.37 2.16 1.15 5.18 0.00 -1.26 -2.88 120.51 122.49 1nvv n ALA 66 Ca -0.02 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1nvv n ALA 66 Cb 0.18 -1.44 0.35 0.00 0.00 0.00 0.00 19.45 18.54 1nvv n ALA 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nvv n MET 67 N -1.95 0.47 -0.02 0.00 2.00 -0.81 -4.41 117.12 112.40 1nvv n MET 67 Ca 0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 57.70 57.40 1nvv n MET 67 Cb 0.35 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 32.05 1nvv n MET 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1nvv h ARG 68 N 0.65 -0.09 -0.41 0.03 9.65 -1.60 -2.49 114.38 120.11 1nvv h ARG 68 Ca 0.00 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 1nvv h ARG 68 Cb 0.49 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.02 1nvv h ARG 68 CO 0.00 -0.06 -0.06 -0.44 2.80 0.00 0.00 179.97 182.21 1nvv h ASP 69 N -0.09 -0.29 -0.48 -3.80 3.32 -1.82 -0.93 116.42 112.33 1nvv h ASP 69 Ca 0.10 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1nvv h ASP 69 Cb 0.24 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1nvv h ASP 69 CO -0.23 -0.10 0.28 -0.61 -1.72 0.00 0.00 179.24 176.87 1nvv h GLN 70 N 0.05 0.66 -0.24 3.56 4.15 -1.82 -1.72 115.11 119.74 1nvv h GLN 70 Ca 0.20 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 1nvv h GLN 70 Cb 0.30 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1nvv h GLN 70 CO -0.39 0.49 -0.02 1.88 -1.93 0.00 0.00 178.83 178.86 1nvv h TYR 71 N 0.64 0.37 0.13 3.99 0.05 -0.96 -3.20 116.97 117.99 1nvv h TYR 71 Ca 0.17 -0.03 -0.28 0.00 0.05 0.00 0.00 58.73 58.64 1nvv h TYR 71 Cb 0.01 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1nvv h TYR 71 CO -0.03 0.40 -1.30 0.52 -1.05 0.00 0.00 178.16 176.70 1nvv h MET 72 N 0.35 0.27 -0.52 4.88 2.86 -0.84 -3.36 114.93 118.58 1nvv h MET 72 Ca 0.08 -0.47 0.15 0.00 -2.06 0.00 0.00 59.70 57.40 1nvv h MET 72 Cb 0.28 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1nvv h MET 72 CO 0.01 1.20 0.39 -0.09 1.06 0.00 0.00 176.91 179.48 1nvv h ARG 73 N 0.07 0.00 0.00 1.72 2.43 -1.31 -1.65 114.38 115.64 1nvv h ARG 73 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1nvv h ARG 73 Cb 1.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 1nvv h ARG 73 CO 0.20 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.66 1nvv h THR 74 N 0.00 0.00 -4.06 0.20 1.03 -1.72 -3.47 112.91 104.89 1nvv h THR 74 Ca 0.25 -0.76 -0.47 0.00 -0.01 0.00 0.00 66.41 65.41 1nvv h THR 74 Cb 1.01 1.75 0.02 0.00 -1.07 0.00 0.00 68.15 69.86 1nvv h THR 74 CO -0.00 0.00 0.39 -0.83 -0.01 0.00 0.00 175.52 175.06 1nvv s GLY 75 N -4.02 2.53 -0.16 2.99 0.00 -0.62 -4.88 107.32 103.16 1nvv s GLY 75 Ca 0.07 0.61 0.18 0.00 0.00 0.00 0.00 44.72 45.58 1nvv s GLY 75 CO 0.62 0.94 0.14 1.18 0.00 0.00 0.00 173.10 175.97 1nvv n GLU 76 N -0.87 0.79 -4.04 2.90 1.02 0.49 -4.99 120.64 115.95 1nvv n GLU 76 Ca 0.09 -0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.11 1nvv n GLU 76 Cb 0.52 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 1nvv n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1nvv s GLY 77 N -5.22 0.37 -0.02 0.62 0.00 -1.16 -4.37 107.32 97.55 1nvv s GLY 77 Ca -0.09 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1nvv s GLY 77 CO 0.81 -1.03 -0.10 -1.36 0.00 0.00 0.00 173.10 171.43 1nvv s PHE 78 N -2.81 0.93 -0.36 1.90 0.40 -0.48 -1.85 117.98 115.71 1nvv s PHE 78 Ca -0.03 -0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 1nvv s PHE 78 Cb -0.00 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 42.91 1nvv s PHE 78 CO -0.06 -0.05 0.23 -0.51 0.70 0.00 0.00 175.22 175.52 1nvv s LEU 79 N -0.05 4.64 -0.52 -0.37 1.02 -0.16 -1.44 118.68 121.81 1nvv s LEU 79 Ca 0.01 -0.75 -0.17 0.00 0.02 0.00 0.00 54.13 53.24 1nvv s LEU 79 Cb -0.06 -2.08 0.09 0.00 0.02 0.00 0.00 46.19 44.16 1nvv s LEU 79 CO -0.00 -0.33 0.55 0.00 0.02 0.00 0.00 176.35 176.59 1nvv s VAL 81 N 2.13 5.02 0.12 0.00 1.01 -0.41 -0.03 120.40 128.24 1nvv s VAL 81 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 1nvv s VAL 81 Cb -0.24 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1nvv s VAL 81 CO 0.07 0.39 0.13 0.72 0.00 0.00 0.00 175.10 176.41 1nvv s PHE 82 N -1.20 0.54 -0.20 5.22 -0.12 -0.47 -4.26 117.98 117.49 1nvv s PHE 82 Ca 0.23 -0.95 -0.10 0.00 -0.05 0.00 0.00 56.93 56.06 1nvv s PHE 82 Cb -0.12 -0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 41.95 1nvv s PHE 82 CO 0.14 -0.56 0.12 0.00 -0.05 0.00 0.00 175.22 174.87 1nvv s ALA 83 N -3.97 3.63 -0.61 1.99 0.00 -1.26 -0.96 121.76 120.58 1nvv s ALA 83 Ca 0.16 -0.71 0.17 0.00 0.00 0.00 0.00 51.96 51.57 1nvv s ALA 83 Cb 0.06 -2.13 0.77 0.00 0.00 0.00 0.00 23.12 21.82 1nvv s ALA 83 CO -0.03 0.15 1.51 0.44 0.00 0.00 0.00 175.76 177.83 1nvv n ILE 84 N 3.55 1.15 -0.61 0.00 -5.35 -0.69 -1.51 119.36 115.90 1nvv n ILE 84 Ca -0.16 0.42 0.08 0.00 -0.27 0.00 0.00 62.75 62.82 1nvv n ILE 84 Cb 0.52 -1.35 0.27 0.00 -1.74 0.00 0.00 39.64 37.34 1nvv n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1nvv n ASN 85 N -1.95 3.95 -3.64 7.28 0.23 -1.26 -0.15 115.26 119.72 1nvv n ASN 85 Ca 0.01 -2.50 -0.29 0.00 -0.53 0.00 0.00 54.58 51.27 1nvv n ASN 85 Cb 0.12 -0.46 -0.14 0.00 -2.08 0.00 0.00 39.78 37.22 1nvv n ASN 85 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1nvv s ASN 86 N -1.26 3.61 0.48 0.53 3.84 -0.57 -4.65 114.94 116.91 1nvv s ASN 86 Ca 0.40 -2.02 0.14 0.00 0.21 0.00 0.00 52.86 51.59 1nvv s ASN 86 Cb 0.27 -0.74 1.13 0.00 -0.55 0.00 0.00 41.25 41.35 1nvv s ASN 86 CO 0.17 -0.35 2.08 0.74 -2.79 0.00 0.00 177.10 176.95 1nvv h THR 87 N 5.76 0.99 -0.08 -5.21 2.02 -1.88 -2.41 112.91 112.09 1nvv h THR 87 Ca -0.06 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1nvv h THR 87 Cb 0.98 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1nvv h THR 87 CO 0.42 0.04 0.05 0.50 0.37 0.00 0.00 175.52 176.90 1nvv h LYS 88 N 0.23 0.11 -0.34 6.66 3.11 -1.94 -0.73 116.57 123.67 1nvv h LYS 88 Ca 0.11 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.95 1nvv h LYS 88 Cb 0.17 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 1nvv h LYS 88 CO -0.02 0.12 0.23 0.66 -2.81 0.00 0.00 179.45 177.62 1nvv h SER 89 N 0.08 0.38 -0.25 4.20 4.64 -1.78 -0.90 113.55 119.92 1nvv h SER 89 Ca 0.03 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1nvv h SER 89 Cb 0.03 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1nvv h SER 89 CO -0.01 0.27 -0.19 0.15 -0.87 0.00 0.00 176.83 176.19 1nvv h PHE 90 N 0.44 0.67 0.00 4.77 3.57 -1.27 -3.06 116.94 122.06 1nvv h PHE 90 Ca 0.13 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1nvv h PHE 90 Cb -0.02 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 1nvv h PHE 90 CO -0.00 0.86 -0.14 0.93 -2.23 0.00 0.00 178.31 177.73 1nvv h GLU 91 N 0.28 0.00 0.00 1.11 5.08 -0.31 -2.58 114.58 118.16 1nvv h GLU 91 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1nvv h GLU 91 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1nvv h GLU 91 CO 0.05 0.14 0.00 -0.44 -1.00 0.00 0.00 179.01 177.76 1nvv h ASP 92 N 0.00 0.00 -0.63 1.42 3.32 -1.09 -3.32 116.42 116.12 1nvv h ASP 92 Ca -0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.17 1nvv h ASP 92 Cb 0.56 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.02 1nvv h ASP 92 CO 0.02 0.00 0.13 0.40 -1.72 0.00 0.00 179.24 178.07 1nvv h ILE 93 N 0.00 0.62 -0.46 0.35 1.08 -1.47 -2.50 117.51 115.13 1nvv h ILE 93 Ca 0.00 -0.09 0.09 0.00 -0.39 0.00 0.00 64.86 64.47 1nvv h ILE 93 Cb 0.63 0.33 -0.10 0.00 -3.07 0.00 0.00 36.82 34.62 1nvv h ILE 93 CO 0.00 0.05 -0.23 -0.74 -0.69 0.00 0.00 178.15 176.54 1nvv h HIS 94 N 0.26 -0.59 -0.10 1.37 2.76 -1.79 -1.43 115.15 115.64 1nvv h HIS 94 Ca 0.33 0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.47 1nvv h HIS 94 Cb 0.51 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1nvv h HIS 94 CO -0.25 -0.31 -0.31 1.96 -1.30 0.00 0.00 177.93 177.72 1nvv h GLN 95 N -0.13 0.19 -0.47 5.26 1.08 -1.71 -1.89 115.11 117.44 1nvv h GLN 95 Ca 0.21 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1nvv h GLN 95 Cb 0.47 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1nvv h GLN 95 CO -0.54 0.49 0.19 1.88 -0.95 0.00 0.00 178.83 179.90 1nvv h TYR 96 N 0.17 0.72 -0.54 2.96 0.05 -1.01 0.00 116.97 119.33 1nvv h TYR 96 Ca 0.02 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1nvv h TYR 96 Cb 0.64 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1nvv h TYR 96 CO 0.01 0.61 0.27 -0.09 -1.05 0.00 0.00 178.16 177.91 1nvv h ARG 97 N 0.63 0.77 -0.64 4.88 2.43 -1.02 -0.61 114.38 120.82 1nvv h ARG 97 Ca 0.16 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1nvv h ARG 97 Cb 0.20 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1nvv h ARG 97 CO -0.01 0.63 0.34 0.93 -1.51 0.00 0.00 179.97 180.34 1nvv h GLU 98 N 0.73 0.90 -0.55 0.20 4.39 -1.07 -1.23 114.58 117.96 1nvv h GLU 98 Ca 0.19 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 1nvv h GLU 98 Cb 0.10 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1nvv h GLU 98 CO -0.03 0.69 0.14 0.37 -1.16 0.00 0.00 179.01 179.03 1nvv h GLN 99 N 0.87 0.83 -0.42 2.33 4.15 -0.58 -1.20 115.11 121.11 1nvv h GLN 99 Ca 0.22 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 1nvv h GLN 99 Cb 0.06 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1nvv h GLN 99 CO -0.03 0.75 0.03 0.82 -1.93 0.00 0.00 178.83 178.46 1nvv h ILE 100 N 0.81 1.25 -0.66 2.39 2.04 -0.67 -0.70 117.51 121.98 1nvv h ILE 100 Ca 0.18 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 1nvv h ILE 100 Cb 0.28 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1nvv h ILE 100 CO -0.00 0.33 0.26 0.11 0.00 0.00 0.00 178.15 178.85 1nvv h LYS 101 N 0.56 0.96 -0.14 2.37 1.57 -0.92 -1.13 116.57 119.85 1nvv h LYS 101 Ca 0.12 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1nvv h LYS 101 Cb 0.44 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1nvv h LYS 101 CO 0.02 0.78 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.46 1nvv h ARG 102 N 0.94 0.33 -0.05 3.15 2.43 -0.97 -1.03 114.38 119.17 1nvv h ARG 102 Ca 0.22 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1nvv h ARG 102 Cb 0.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1nvv h ARG 102 CO -0.02 0.72 -0.40 -0.39 -1.51 0.00 0.00 179.97 178.36 1nvv h VAL 103 N -0.05 1.30 -0.01 0.20 -1.51 -0.95 -2.60 116.25 112.64 1nvv h VAL 103 Ca 0.02 -1.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 1nvv h VAL 103 Cb 0.65 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1nvv h VAL 103 CO 0.03 0.42 -0.17 0.29 -1.23 0.00 0.00 177.57 176.92 1nvv n LYS 104 N -4.04 0.96 -3.98 5.19 4.76 -0.44 -4.84 118.16 115.77 1nvv n LYS 104 Ca -0.02 -0.51 -0.27 0.00 -2.87 0.00 0.00 58.31 54.64 1nvv n LYS 104 Cb 0.45 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 1nvv n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1nvv n ASP 105 N -0.57 -1.34 -3.75 4.39 2.03 -0.45 -4.96 116.55 111.90 1nvv n ASP 105 Ca 0.14 -0.97 -0.14 0.00 0.52 0.00 0.00 54.79 54.35 1nvv n ASP 105 Cb 0.33 -3.17 -0.09 0.00 -0.72 0.00 0.00 41.12 37.47 1nvv n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1nvv s SER 106 N -4.08 -0.22 0.00 1.67 0.15 -0.83 -5.03 113.70 105.36 1nvv s SER 106 Ca 0.20 0.14 0.24 0.00 0.70 0.00 0.00 55.95 57.23 1nvv s SER 106 Cb -0.11 0.34 0.28 0.00 -1.71 0.00 0.00 66.02 64.82 1nvv s SER 106 CO 0.88 -0.45 1.29 -0.67 1.20 0.00 0.00 173.24 175.50 1nvv n ASP 107 N 1.30 2.47 -3.51 5.45 2.03 -1.26 -4.53 116.55 118.51 1nvv n ASP 107 Ca -0.21 -1.76 -0.27 0.00 0.52 0.00 0.00 54.79 53.07 1nvv n ASP 107 Cb 0.56 0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 40.98 1nvv n ASP 107 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1nvv n ASP 108 N 0.76 0.70 -4.71 1.67 5.75 -1.26 -5.10 116.55 114.36 1nvv n ASP 108 Ca 0.13 -2.67 -0.35 0.00 -0.01 0.00 0.00 54.79 51.89 1nvv n ASP 108 Cb 0.52 -0.62 -0.09 0.00 -1.03 0.00 0.00 41.12 39.91 1nvv n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nvv s VAL 109 N -0.58 5.08 -0.07 2.12 1.01 -1.26 -5.04 120.40 121.66 1nvv s VAL 109 Ca 0.31 0.07 -0.32 0.00 0.00 0.00 0.00 61.98 62.04 1nvv s VAL 109 Cb 0.04 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 1nvv s VAL 109 CO -0.18 0.49 1.99 -2.65 0.00 0.00 0.00 175.10 174.75 1nvv n PRO 110 N 3.21 2.39 -3.58 2.72 -0.02 -1.26 -4.95 135.00 133.50 1nvv n PRO 110 Ca -0.17 0.84 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1nvv n PRO 110 Cb 0.53 -2.88 -0.04 0.00 -0.02 0.00 0.00 33.50 31.08 1nvv n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvv s MET 111 N 4.72 1.08 0.01 -0.52 0.23 -1.26 -1.38 119.30 122.19 1nvv s MET 111 Ca 0.93 -0.51 0.04 0.00 -1.03 0.00 0.00 55.69 55.13 1nvv s MET 111 Cb -0.54 0.49 -0.01 0.00 -1.53 0.00 0.00 34.83 33.24 1nvv s MET 111 CO 0.45 -0.42 -0.13 0.08 -2.03 0.00 0.00 175.02 172.97 1nvv s VAL 112 N -3.31 1.03 -0.22 5.16 1.01 -0.52 -4.35 120.40 119.20 1nvv s VAL 112 Ca -0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1nvv s VAL 112 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1nvv s VAL 112 CO -0.09 0.15 0.32 -0.22 0.00 0.00 0.00 175.10 175.27 1nvv s LEU 113 N -0.67 4.12 -0.18 3.92 2.96 -0.54 -0.73 118.68 127.58 1nvv s LEU 113 Ca 0.03 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1nvv s LEU 113 Cb -0.06 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.26 1nvv s LEU 113 CO 0.00 -0.05 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.13 1nvv s VAL 114 N 1.35 2.44 -0.32 1.68 1.01 0.96 -0.95 120.40 126.56 1nvv s VAL 114 Ca 0.15 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1nvv s VAL 114 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1nvv s VAL 114 CO 0.07 0.51 0.23 -0.83 0.00 0.00 0.00 175.10 175.09 1nvv s GLY 115 N 1.15 1.96 -0.11 4.51 0.00 -0.14 -1.36 107.32 113.32 1nvv s GLY 115 Ca 0.01 -1.30 -0.01 0.00 0.00 0.00 0.00 44.72 43.41 1nvv s GLY 115 CO -0.07 0.75 -0.06 0.21 0.00 0.00 0.00 173.10 173.93 1nvv s ASN 116 N 1.73 4.68 -0.41 1.64 2.47 -0.13 -0.28 114.94 124.63 1nvv s ASN 116 Ca 0.06 -0.09 -0.19 0.00 0.42 0.00 0.00 52.86 53.06 1nvv s ASN 116 Cb -0.17 -1.49 0.02 0.00 -1.45 0.00 0.00 41.25 38.16 1nvv s ASN 116 CO 0.11 0.26 0.56 -0.75 -3.72 0.00 0.00 177.10 173.56 1nvv s LYS 117 N -0.20 3.31 -0.05 0.43 2.20 -0.25 -1.71 119.74 123.48 1nvv s LYS 117 Ca 0.03 -0.42 -0.07 0.00 -0.36 0.00 0.00 55.97 55.15 1nvv s LYS 117 Cb -0.13 -3.92 -0.29 0.00 -1.51 0.00 0.00 37.83 31.98 1nvv s LYS 117 CO 0.03 -0.89 0.67 0.00 -0.36 0.00 0.00 175.35 174.79 1nvv n ASP 119 N -3.50 0.00 -0.71 0.00 5.75 -1.26 -4.89 116.55 111.94 1nvv n ASP 119 Ca -0.23 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.67 1nvv n ASP 119 Cb 1.06 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 41.34 1nvv n ASP 119 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nvv n LEU 120 N 0.00 2.33 -4.42 -2.12 7.99 -1.26 -4.98 117.00 114.54 1nvv n LEU 120 Ca 0.00 -0.79 -0.31 0.00 -0.01 0.00 0.00 56.01 54.91 1nvv n LEU 120 Cb 0.00 -0.01 0.19 0.00 -0.11 0.00 0.00 43.42 43.49 1nvv n LEU 120 CO 0.00 0.40 0.07 0.00 -1.51 0.00 0.00 177.39 176.35 1nvv n ALA 121 N 0.66 -2.99 -2.08 -1.18 0.00 -1.26 -4.91 120.51 108.75 1nvv n ALA 121 Ca 0.14 -1.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.14 1nvv n ALA 121 Cb 0.50 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 1nvv n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nvv s ALA 122 N -2.38 3.43 0.14 0.00 0.00 -1.26 -4.98 121.76 116.71 1nvv s ALA 122 Ca 0.62 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 53.20 1nvv s ALA 122 Cb -0.20 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 1nvv s ALA 122 CO 0.65 -0.36 1.35 0.50 0.00 0.00 0.00 175.76 177.90 1nvv s ARG 123 N -0.13 4.35 -0.00 0.00 3.52 -1.26 -4.51 118.95 120.91 1nvv s ARG 123 Ca 0.53 2.05 0.06 0.00 -0.13 0.00 0.00 55.73 58.24 1nvv s ARG 123 Cb -0.32 -3.24 -0.07 0.00 -1.56 0.00 0.00 34.95 29.76 1nvv s ARG 123 CO 0.36 -0.37 0.25 0.25 -0.81 0.00 0.00 175.30 174.98 1nvv n THR 124 N 3.52 0.00 -4.08 4.11 -2.24 0.78 -4.91 114.28 111.47 1nvv n THR 124 Ca 0.10 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 1nvv n THR 124 Cb 0.43 0.92 -0.15 0.00 -2.10 0.00 0.00 70.33 69.43 1nvv n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nvv s VAL 125 N -1.69 2.17 0.59 2.28 1.01 -0.42 -4.88 120.40 119.45 1nvv s VAL 125 Ca 0.02 -1.50 -0.15 0.00 0.00 0.00 0.00 61.98 60.35 1nvv s VAL 125 Cb 0.05 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1nvv s VAL 125 CO 0.26 0.07 1.03 -1.61 0.00 0.00 0.00 175.10 174.86 1nvv s GLU 126 N 1.14 3.48 0.30 2.72 0.41 -1.26 -4.90 118.70 120.59 1nvv s GLU 126 Ca -0.06 1.06 0.02 0.00 -0.41 0.00 0.00 54.97 55.58 1nvv s GLU 126 Cb -0.19 -2.06 0.56 0.00 -1.78 0.00 0.00 34.13 30.67 1nvv s GLU 126 CO -0.06 -0.67 1.87 0.77 -0.49 0.00 0.00 175.26 176.68 1nvv h SER 127 N 0.37 0.90 -0.51 -0.19 0.02 -2.00 -2.15 113.55 110.00 1nvv h SER 127 Ca -0.46 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 1nvv h SER 127 Cb 1.21 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 1nvv h SER 127 CO 0.59 0.52 0.29 -0.09 -1.14 0.00 0.00 176.83 177.00 1nvv h ARG 128 N 0.99 0.73 -0.48 3.45 9.65 -1.98 0.15 114.38 126.88 1nvv h ARG 128 Ca 0.45 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 59.20 1nvv h ARG 128 Cb 0.39 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1nvv h ARG 128 CO -0.21 0.54 0.05 1.96 2.80 0.00 0.00 179.97 185.11 1nvv h GLN 129 N 0.74 0.81 -0.44 0.20 4.20 -1.77 -1.34 115.11 117.52 1nvv h GLN 129 Ca 0.19 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1nvv h GLN 129 Cb 0.02 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1nvv h GLN 129 CO -0.03 0.83 -0.16 0.00 -0.67 0.00 0.00 178.83 178.80 1nvv h ALA 130 N 0.95 0.61 -0.30 3.87 0.00 -1.24 -1.76 119.26 121.39 1nvv h ALA 130 Ca 0.14 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1nvv h ALA 130 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1nvv h ALA 130 CO 0.01 0.54 -0.09 1.96 0.00 0.00 0.00 179.25 181.67 1nvv h GLN 131 N 0.71 0.49 -0.23 0.00 4.20 -0.62 0.72 115.11 120.38 1nvv h GLN 131 Ca 0.10 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1nvv h GLN 131 Cb 0.72 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1nvv h GLN 131 CO 0.05 0.58 -0.33 -0.44 -0.67 0.00 0.00 178.83 178.03 1nvv h ASP 132 N 0.46 0.69 -0.31 1.46 3.32 -1.10 -0.52 116.42 120.42 1nvv h ASP 132 Ca 0.09 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1nvv h ASP 132 Cb 0.44 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1nvv h ASP 132 CO 0.02 1.07 0.13 0.25 -1.72 0.00 0.00 179.24 178.99 1nvv h LEU 133 N 0.33 0.43 -0.73 1.55 5.85 -1.01 -0.64 115.31 121.09 1nvv h LEU 133 Ca 0.02 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1nvv h LEU 133 Cb 0.92 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1nvv h LEU 133 CO 0.08 0.47 0.48 0.00 -0.34 0.00 0.00 178.44 179.13 1nvv h ALA 134 N 0.97 0.94 -0.74 1.25 0.00 -0.82 -2.18 119.26 118.68 1nvv h ALA 134 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nvv h ALA 134 Cb 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1nvv h ALA 134 CO -0.01 0.31 0.29 -0.09 0.00 0.00 0.00 179.25 179.75 1nvv h ARG 135 N 0.96 1.11 0.00 0.00 2.43 -0.79 -0.67 114.38 117.41 1nvv h ARG 135 Ca 0.28 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1nvv h ARG 135 Cb -0.07 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1nvv h ARG 135 CO -0.08 0.90 -0.13 0.66 -1.51 0.00 0.00 179.97 179.82 1nvv h SER 136 N 1.08 0.00 0.42 -3.80 4.64 -0.52 -2.00 113.55 113.38 1nvv h SER 136 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1nvv h SER 136 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1nvv h SER 136 CO -0.02 0.13 -0.69 -1.22 -0.87 0.00 0.00 176.83 174.16 1nvv n TYR 137 N -4.29 0.09 -2.16 4.77 4.01 -0.71 -4.96 117.16 113.91 1nvv n TYR 137 Ca -0.03 0.02 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1nvv n TYR 137 Cb 0.20 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1nvv n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvv n GLY 138 N 1.47 0.54 3.23 2.72 0.00 -0.36 -5.06 105.19 107.73 1nvv n GLY 138 Ca 0.04 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 1nvv n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nvv s ILE 139 N -2.31 1.09 0.57 -0.61 -4.36 -0.63 -5.03 121.20 109.92 1nvv s ILE 139 Ca 0.00 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.21 1nvv s ILE 139 Cb -0.00 -1.77 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 1nvv s ILE 139 CO 0.00 -0.74 1.14 -2.84 0.24 0.00 0.00 174.94 172.74 1nvv s PRO 140 N -3.64 3.20 -0.11 0.37 0.02 -1.26 -4.24 135.00 129.33 1nvv s PRO 140 Ca 0.15 1.62 0.03 0.00 0.02 0.00 0.00 61.00 62.82 1nvv s PRO 140 Cb 0.02 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1nvv s PRO 140 CO -0.00 -0.98 -0.23 -0.47 -0.33 0.00 0.00 177.00 175.00 1nvv s TYR 141 N -1.82 2.56 -0.05 6.54 5.04 -1.26 -1.46 117.35 126.89 1nvv s TYR 141 Ca 0.73 -1.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.23 1nvv s TYR 141 Cb -0.25 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.35 1nvv s TYR 141 CO 0.30 -0.49 -0.10 0.42 -1.34 0.00 0.00 175.55 174.34 1nvv s ILE 142 N 0.55 0.93 -0.13 3.14 1.01 -0.13 -4.99 121.20 121.58 1nvv s ILE 142 Ca -0.14 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 1nvv s ILE 142 Cb -0.17 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1nvv s ILE 142 CO 0.04 0.30 0.09 -0.70 0.00 0.00 0.00 174.94 174.68 1nvv s GLU 143 N 0.60 3.52 0.23 2.79 2.12 -1.26 -0.97 118.70 125.73 1nvv s GLU 143 Ca -0.11 -0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.01 1nvv s GLU 143 Cb -0.14 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 1nvv s GLU 143 CO 0.02 0.62 0.01 0.95 -0.54 0.00 0.00 175.26 176.32 1nvv s THR 144 N -0.59 0.93 -0.39 -1.70 -4.23 0.61 -4.56 115.64 105.72 1nvv s THR 144 Ca 0.12 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1nvv s THR 144 Cb -0.12 -2.36 0.16 0.00 1.34 0.00 0.00 72.50 71.52 1nvv s THR 144 CO 0.02 -0.30 0.31 -0.55 -0.54 0.00 0.00 174.62 173.57 1nvv s SER 145 N -3.29 1.80 0.27 3.99 0.15 -0.09 -1.09 113.70 115.44 1nvv s SER 145 Ca 0.29 -2.57 -0.01 0.00 0.70 0.00 0.00 55.95 54.36 1nvv s SER 145 Cb 0.06 -0.23 0.58 0.00 -1.71 0.00 0.00 66.02 64.72 1nvv s SER 145 CO 0.09 -0.22 1.72 0.00 1.20 0.00 0.00 173.24 176.02 1nvv h ALA 146 N 6.21 1.23 -0.94 5.45 0.00 -1.79 0.92 119.26 130.34 1nvv h ALA 146 Ca 0.17 0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.33 1nvv h ALA 146 Cb 0.95 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1nvv h ALA 146 CO 0.30 -0.25 0.57 -0.22 0.00 0.00 0.00 179.25 179.65 1nvv h LYS 147 N 0.44 0.87 -0.58 0.00 3.64 -1.90 -1.80 116.57 117.24 1nvv h LYS 147 Ca 0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1nvv h LYS 147 Cb 0.81 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1nvv h LYS 147 CO -0.46 0.57 0.00 0.25 -2.27 0.00 0.00 179.45 177.54 1nvv n THR 148 N -4.68 0.87 -3.02 1.00 -2.24 -0.48 -4.97 114.28 100.75 1nvv n THR 148 Ca 0.18 -0.93 -0.22 0.00 -2.27 0.00 0.00 64.05 60.80 1nvv n THR 148 Cb 0.35 0.62 0.02 0.00 -2.10 0.00 0.00 70.33 69.23 1nvv n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nvv n ARG 149 N 1.41 -4.28 -3.90 -0.78 1.74 0.20 -4.98 116.66 106.07 1nvv n ARG 149 Ca 0.21 0.82 -0.35 0.00 -0.77 0.00 0.00 57.85 57.76 1nvv n ARG 149 Cb 0.58 -5.63 -0.09 0.00 -1.02 0.00 0.00 32.46 26.29 1nvv n ARG 149 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nvv s GLN 150 N -5.69 4.01 0.00 5.56 -0.21 -0.80 -4.45 119.66 118.08 1nvv s GLN 150 Ca 0.29 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.35 1nvv s GLN 150 Cb -0.13 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.58 1nvv s GLN 150 CO 0.36 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 174.16 1nvv n GLY 151 N 3.70 1.48 0.45 3.09 0.00 -1.26 -0.91 105.19 111.73 1nvv n GLY 151 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 1nvv n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nvv h VAL 152 N 0.00 0.17 -0.99 1.61 2.07 -1.89 -1.11 116.25 116.12 1nvv h VAL 152 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1nvv h VAL 152 Cb 0.00 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 29.87 1nvv h VAL 152 CO 0.00 0.00 0.64 -0.33 0.02 0.00 0.00 177.57 177.90 1nvv h GLU 153 N -1.08 1.16 -0.98 1.57 5.08 -1.91 -2.12 114.58 116.30 1nvv h GLU 153 Ca -0.10 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1nvv h GLU 153 Cb 0.85 -0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1nvv h GLU 153 CO 0.14 0.77 0.64 0.22 -1.00 0.00 0.00 179.01 179.77 1nvv h ASP 154 N 1.20 1.06 -0.01 1.42 3.58 -1.91 0.58 116.42 122.33 1nvv h ASP 154 Ca 0.41 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.85 1nvv h ASP 154 Cb 0.09 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 1nvv h ASP 154 CO -0.15 0.72 0.01 0.00 -2.88 0.00 0.00 179.24 176.93 1nvv h ALA 155 N 1.40 0.01 -0.31 -0.78 0.00 -0.51 -0.75 119.26 118.33 1nvv h ALA 155 Ca 0.39 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 1nvv h ALA 155 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nvv h ALA 155 CO -0.13 -0.44 -0.40 0.74 0.00 0.00 0.00 179.25 179.02 1nvv h PHE 156 N -0.07 1.01 -0.50 0.00 0.04 -1.38 -2.66 116.94 113.37 1nvv h PHE 156 Ca 0.00 -0.33 -0.06 0.00 2.80 0.00 0.00 57.97 60.38 1nvv h PHE 156 Cb 0.09 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 1nvv h PHE 156 CO -0.05 1.13 0.05 1.88 -0.60 0.00 0.00 178.31 180.72 1nvv h TYR 157 N 0.60 0.84 -0.50 -0.55 -1.99 -0.86 -0.88 116.97 113.63 1nvv h TYR 157 Ca 0.04 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.60 1nvv h TYR 157 Cb 1.00 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.47 1nvv h TYR 157 CO 0.07 0.76 0.04 1.15 -0.00 0.00 0.00 178.16 180.18 1nvv h THR 158 N 0.76 1.24 -0.37 -2.88 2.02 -1.11 -1.18 112.91 111.39 1nvv h THR 158 Ca 0.16 -0.95 -0.10 0.00 0.77 0.00 0.00 66.41 66.29 1nvv h THR 158 Cb 0.39 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1nvv h THR 158 CO 0.01 0.34 -0.18 0.25 0.37 0.00 0.00 175.52 176.31 1nvv h LEU 159 N 0.76 0.80 -0.83 2.58 5.85 -1.04 -1.75 115.31 121.68 1nvv h LEU 159 Ca 0.15 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1nvv h LEU 159 Cb 0.40 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1nvv h LEU 159 CO 0.01 1.02 0.54 0.58 -0.34 0.00 0.00 178.44 180.26 1nvv h VAL 160 N 0.57 1.22 -0.42 1.05 2.07 -0.82 -0.89 116.25 119.02 1nvv h VAL 160 Ca 0.08 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1nvv h VAL 160 Cb 0.72 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1nvv h VAL 160 CO 0.05 0.21 0.08 0.03 0.02 0.00 0.00 177.57 177.97 1nvv h ARG 161 N 1.13 0.64 -0.56 1.57 3.08 -1.12 -1.06 114.38 118.06 1nvv h ARG 161 Ca 0.30 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 1nvv h ARG 161 Cb -0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1nvv h ARG 161 CO -0.06 0.60 -0.00 1.49 -1.07 0.00 0.00 179.97 180.93 1nvv h GLU 162 N 0.62 0.97 -0.38 0.04 4.81 -0.38 -1.45 114.58 118.81 1nvv h GLU 162 Ca 0.14 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1nvv h GLU 162 Cb 0.27 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1nvv h GLU 162 CO 0.00 0.96 -0.04 0.82 -0.73 0.00 0.00 179.01 180.02 1nvv h ILE 163 N 0.89 1.27 -0.43 2.32 2.04 -0.55 -2.71 117.51 120.34 1nvv h ILE 163 Ca 0.16 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1nvv h ILE 163 Cb 0.53 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1nvv h ILE 163 CO 0.03 0.36 0.06 0.03 0.00 0.00 0.00 178.15 178.63 1nvv h ARG 164 N 0.50 0.66 -0.15 2.37 3.08 -1.01 -2.39 114.38 117.44 1nvv h ARG 164 Ca 0.10 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1nvv h ARG 164 Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1nvv h ARG 164 CO 0.03 0.63 0.00 1.04 -1.07 0.00 0.00 179.97 180.60 1nvv n GLN 165 N -4.28 1.61 0.00 0.04 1.13 -0.57 -5.10 117.38 110.21 1nvv n GLN 165 Ca 0.03 -0.92 0.13 0.00 -1.94 0.00 0.00 57.00 54.30 1nvv n GLN 165 Cb 0.23 -1.36 0.75 0.00 0.11 0.00 0.00 30.24 29.97 1nvv n GLN 165 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20