#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb0 h GLN 2 N 0.00 0.10 -6.00 0.03 4.20 -2.01 -3.41 115.11 108.03 2kb0 h GLN 2 Ca 0.00 -0.02 -0.65 0.00 0.06 0.00 0.00 58.65 58.04 2kb0 h GLN 2 Cb 0.00 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.66 2kb0 h GLN 2 CO 0.00 0.23 -0.58 0.99 -0.67 0.00 0.00 178.83 178.80 2kb0 s THR 3 N -4.77 4.73 -0.21 -0.54 2.01 -1.26 -4.44 115.64 111.16 2kb0 s THR 3 Ca -0.05 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 2kb0 s THR 3 Cb 0.16 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.51 2kb0 s THR 3 CO 0.71 0.36 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.26 2kb0 s ILE 4 N -1.19 2.86 -0.07 1.82 1.01 -1.20 -5.05 121.20 119.39 2kb0 s ILE 4 Ca 0.23 -0.67 -0.22 0.00 0.00 0.00 0.00 60.65 59.99 2kb0 s ILE 4 Cb -0.12 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2kb0 s ILE 4 CO 0.14 0.47 0.62 -0.54 0.00 0.00 0.00 174.94 175.63 2kb0 s LYS 5 N 1.40 4.39 -0.06 2.79 1.02 -1.26 -3.10 119.74 124.93 2kb0 s LYS 5 Ca 0.05 0.74 -0.02 0.00 0.02 0.00 0.00 55.97 56.76 2kb0 s LYS 5 Cb -0.14 -3.43 0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2kb0 s LYS 5 CO -0.07 0.14 0.12 0.00 -0.92 0.00 0.00 175.35 174.61 2kb0 s VAL 7 N 1.35 3.70 -0.10 0.00 1.01 -1.25 -3.57 120.40 121.54 2kb0 s VAL 7 Ca -0.07 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2kb0 s VAL 7 Cb -0.12 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2kb0 s VAL 7 CO -0.05 0.58 -0.17 -0.69 0.00 0.00 0.00 175.10 174.77 2kb0 s VAL 8 N -0.61 2.72 -0.08 2.92 1.01 -1.17 -2.95 120.40 122.23 2kb0 s VAL 8 Ca 0.09 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2kb0 s VAL 8 Cb -0.12 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.21 2kb0 s VAL 8 CO 0.02 0.55 0.41 0.54 0.00 0.00 0.00 175.10 176.62 2kb0 s VAL 9 N 0.09 0.03 0.10 2.92 0.11 -1.19 -4.00 120.40 118.45 2kb0 s VAL 9 Ca -0.08 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 2kb0 s VAL 9 Cb -0.15 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 2kb0 s VAL 9 CO 0.05 -0.12 -0.08 -0.83 -3.33 0.00 0.00 175.10 170.79 2kb0 s GLY 10 N -0.67 0.81 -0.55 6.54 0.00 -1.26 -2.49 107.32 109.70 2kb0 s GLY 10 Ca -0.08 -1.26 -0.24 0.00 0.00 0.00 0.00 44.72 43.14 2kb0 s GLY 10 CO 0.04 -1.35 0.95 -0.35 0.00 0.00 0.00 173.10 172.39 2kb0 s ASP 11 N -2.71 6.34 -0.80 1.64 2.15 -1.22 -4.46 116.67 117.62 2kb0 s ASP 11 Ca 0.08 -0.33 -0.01 0.00 0.43 0.00 0.00 52.55 52.72 2kb0 s ASP 11 Cb 0.01 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2kb0 s ASP 11 CO -0.02 -1.24 0.58 0.61 -0.17 0.00 0.00 175.17 174.93 2kb0 n GLY 12 N 5.12 -1.25 3.75 2.66 0.00 -1.26 -4.87 105.19 109.33 2kb0 n GLY 12 Ca 0.02 0.58 -0.39 0.00 0.00 0.00 0.00 46.02 46.23 2kb0 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb0 s ALA 13 N -2.96 3.44 0.12 4.61 0.00 -1.26 -4.97 121.76 120.74 2kb0 s ALA 13 Ca 0.01 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 2kb0 s ALA 13 Cb -0.01 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 2kb0 s ALA 13 CO 0.86 0.09 1.69 0.28 0.00 0.00 0.00 175.76 178.68 2kb0 h VAL 14 N 4.29 1.15 -1.71 0.00 2.07 -2.01 -3.12 116.25 116.93 2kb0 h VAL 14 Ca -0.44 -0.44 -0.67 0.00 0.82 0.00 0.00 66.70 65.98 2kb0 h VAL 14 Cb 1.20 0.88 -0.36 0.00 -1.52 0.00 0.00 31.29 31.50 2kb0 h VAL 14 CO 0.71 0.16 0.03 0.61 0.02 0.00 0.00 177.57 179.10 2kb0 n GLY 15 N -0.86 5.81 0.34 2.17 0.00 -1.26 -4.78 105.19 106.62 2kb0 n GLY 15 Ca -0.02 -2.65 -0.02 0.00 0.00 0.00 0.00 46.02 43.34 2kb0 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kb0 h LYS 16 N 2.75 1.05 -0.23 1.61 3.64 -1.95 -2.17 116.57 121.27 2kb0 h LYS 16 Ca 0.41 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.53 2kb0 h LYS 16 Cb 0.55 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2kb0 h LYS 16 CO 1.10 0.77 -0.49 1.79 -2.27 0.00 0.00 179.45 180.34 2kb0 h THR 17 N 1.06 1.30 0.00 1.00 1.35 -1.88 -2.85 112.91 112.90 2kb0 h THR 17 Ca 0.27 -1.71 -0.03 0.00 -0.55 0.00 0.00 66.41 64.39 2kb0 h THR 17 Cb 0.01 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2kb0 h THR 17 CO -0.05 0.54 -0.16 0.00 -0.25 0.00 0.00 175.52 175.61 2kb0 h LEU 19 N 0.00 0.75 -0.69 0.00 5.85 -1.17 -2.87 115.31 117.18 2kb0 h LEU 19 Ca -0.00 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 2kb0 h LEU 19 Cb 0.31 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2kb0 h LEU 19 CO 0.02 1.01 0.19 -0.07 -0.34 0.00 0.00 178.44 179.25 2kb0 h LEU 20 N 0.61 1.03 -0.80 2.25 3.38 -1.40 -2.83 115.31 117.54 2kb0 h LEU 20 Ca 0.07 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 2kb0 h LEU 20 Cb 0.85 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2kb0 h LEU 20 CO 0.07 0.98 -0.52 0.16 0.09 0.00 0.00 178.44 179.22 2kb0 h ILE 21 N 1.02 1.36 -0.92 1.22 3.07 -1.51 -2.66 117.51 119.10 2kb0 h ILE 21 Ca 0.22 -1.80 0.07 0.00 1.55 0.00 0.00 64.86 64.90 2kb0 h ILE 21 Cb 0.34 1.89 -0.06 0.00 -0.27 0.00 0.00 36.82 38.72 2kb0 h ILE 21 CO -0.00 0.53 0.59 0.28 -1.05 0.00 0.00 178.15 178.50 2kb0 h SER 22 N 0.15 0.90 0.03 2.16 0.02 -1.27 0.66 113.55 116.20 2kb0 h SER 22 Ca 0.00 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 2kb0 h SER 22 Cb 0.98 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.34 2kb0 h SER 22 CO 0.08 0.56 -0.21 0.22 -1.14 0.00 0.00 176.83 176.35 2kb0 h TYR 23 N 1.01 0.15 -0.31 3.45 3.20 -1.51 -3.12 116.97 119.85 2kb0 h TYR 23 Ca 0.40 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 2kb0 h TYR 23 Cb 0.25 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2kb0 h TYR 23 CO -0.00 1.03 -0.05 1.79 -1.64 0.00 0.00 178.16 179.28 2kb0 h THR 24 N -0.76 1.21 0.00 1.81 1.35 -1.24 -3.43 112.91 111.85 2kb0 h THR 24 Ca -0.03 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2kb0 h THR 24 Cb 1.10 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2kb0 h THR 24 CO 0.04 0.29 0.00 0.35 -0.25 0.00 0.00 175.52 175.95 2kb0 n THR 25 N -4.25 0.00 0.00 6.82 -2.24 0.23 -5.08 114.28 109.75 2kb0 n THR 25 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2kb0 n THR 25 Cb 0.28 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2kb0 n THR 25 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2kb0 n ASN 26 N 0.00 0.00 -4.00 3.42 0.23 -1.18 -4.91 115.26 108.82 2kb0 n ASN 26 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.77 2kb0 n ASN 26 Cb 0.00 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.53 2kb0 n ASN 26 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2kb0 s LYS 27 N 0.00 2.01 -0.21 -3.83 1.02 -1.26 -4.99 119.74 112.48 2kb0 s LYS 27 Ca 0.00 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.52 2kb0 s LYS 27 Cb 0.00 -1.84 -0.20 0.00 -0.52 0.00 0.00 37.83 35.26 2kb0 s LYS 27 CO 0.00 -0.17 -0.01 0.34 -0.92 0.00 0.00 175.35 174.59 2kb0 n PHE 28 N 4.58 0.45 0.34 3.18 7.35 -1.26 -4.12 117.46 127.98 2kb0 n PHE 28 Ca -0.17 0.10 0.06 0.00 -0.76 0.00 0.00 57.45 56.67 2kb0 n PHE 28 Cb 0.50 -1.06 0.25 0.00 0.35 0.00 0.00 39.48 39.52 2kb0 n PHE 28 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2kb0 n PRO 29 N -3.32 0.02 -0.34 -7.13 -0.02 -1.26 -3.15 135.00 119.80 2kb0 n PRO 29 Ca -0.41 0.35 0.24 0.00 -2.02 0.00 0.00 63.50 61.66 2kb0 n PRO 29 Cb 1.01 -1.55 0.52 0.00 -0.02 0.00 0.00 33.50 33.47 2kb0 n PRO 29 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2kb0 h SER 30 N 0.00 0.44 -1.53 2.55 0.02 -1.99 -3.42 113.55 109.62 2kb0 h SER 30 Ca 0.00 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2kb0 h SER 30 Cb 0.18 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2kb0 h SER 30 CO 0.00 0.04 -0.01 -0.62 -1.14 0.00 0.00 176.83 175.11 2kb0 n GLU 31 N -4.67 -1.24 -3.66 3.45 1.02 -1.19 -4.78 120.64 109.58 2kb0 n GLU 31 Ca 0.27 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.24 2kb0 n GLU 31 Cb 0.94 -3.69 -0.17 0.00 -0.02 0.00 0.00 31.44 28.50 2kb0 n GLU 31 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2kb0 s TYR 32 N -0.80 -0.01 0.12 -0.32 5.04 -1.26 -5.15 117.35 114.97 2kb0 s TYR 32 Ca 0.00 0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 2kb0 s TYR 32 Cb 0.00 -0.43 -0.04 0.00 0.35 0.00 0.00 41.96 41.84 2kb0 s TYR 32 CO 0.00 -0.26 0.27 0.14 -1.34 0.00 0.00 175.55 174.36 2kb0 s VAL 33 N 2.21 5.33 0.68 3.14 -7.23 -1.26 -5.07 120.40 118.21 2kb0 s VAL 33 Ca 0.04 -0.53 -0.14 0.00 -1.81 0.00 0.00 61.98 59.54 2kb0 s VAL 33 Cb -0.12 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.13 2kb0 s VAL 33 CO -0.05 -0.01 1.11 -2.16 -0.31 0.00 0.00 175.10 173.67 2kb0 s PRO 34 N -2.97 2.69 -1.38 4.82 0.04 -1.26 -4.92 135.00 132.01 2kb0 s PRO 34 Ca 0.35 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.63 2kb0 s PRO 34 Cb -0.12 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.58 2kb0 s PRO 34 CO 0.28 -1.33 2.15 0.00 0.04 0.00 0.00 177.00 178.14 2kb0 n ALA 35 N -2.66 5.81 -3.22 8.56 0.00 -1.26 -4.88 120.51 122.86 2kb0 n ALA 35 Ca 0.10 -4.08 -0.13 0.00 0.00 0.00 0.00 53.44 49.33 2kb0 n ALA 35 Cb 0.52 -3.17 -0.15 0.00 0.00 0.00 0.00 19.45 16.65 2kb0 n ALA 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2kb0 s VAL 36 N 1.27 -0.02 -0.36 0.00 -7.23 -1.26 -5.02 120.40 107.79 2kb0 s VAL 36 Ca 0.46 0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.75 2kb0 s VAL 36 Cb 0.13 -0.06 0.01 0.00 0.56 0.00 0.00 36.38 37.02 2kb0 s VAL 36 CO -0.04 0.03 0.51 0.49 -0.31 0.00 0.00 175.10 175.78 2kb0 n PHE 37 N 3.49 0.00 -1.72 2.82 3.72 -1.26 -5.03 117.46 119.47 2kb0 n PHE 37 Ca -0.18 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.92 2kb0 n PHE 37 Cb 0.56 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.18 2kb0 n PHE 37 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2kb0 s ASP 38 N -0.47 4.69 0.21 4.37 1.47 -1.26 -5.00 116.67 120.69 2kb0 s ASP 38 Ca 0.03 1.11 -0.07 0.00 1.18 0.00 0.00 52.55 54.81 2kb0 s ASP 38 Cb 0.03 -1.81 -0.06 0.00 -0.34 0.00 0.00 42.92 40.74 2kb0 s ASP 38 CO 0.06 -1.82 0.48 0.54 0.68 0.00 0.00 175.17 175.11 2kb0 s ASN 39 N -4.19 6.54 0.04 2.11 4.22 -1.26 -4.94 114.94 117.46 2kb0 s ASN 39 Ca 0.60 0.76 0.03 0.00 -2.14 0.00 0.00 52.86 52.11 2kb0 s ASN 39 Cb -0.13 -2.16 -0.02 0.00 1.28 0.00 0.00 41.25 40.22 2kb0 s ASN 39 CO 0.52 -0.04 -0.09 -0.47 -2.04 0.00 0.00 177.10 174.98 2kb0 s TYR 40 N -1.80 0.78 -0.12 1.54 5.04 -1.24 -5.06 117.35 116.49 2kb0 s TYR 40 Ca 0.44 -0.41 -0.06 0.00 -2.44 0.00 0.00 57.07 54.60 2kb0 s TYR 40 Cb -0.11 -0.47 -0.04 0.00 0.35 0.00 0.00 41.96 41.69 2kb0 s TYR 40 CO 0.24 -0.04 0.09 0.00 -1.34 0.00 0.00 175.55 174.50 2kb0 s ALA 41 N -1.11 3.63 -0.10 3.97 0.00 -1.26 -3.00 121.76 123.89 2kb0 s ALA 41 Ca -0.06 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 2kb0 s ALA 41 Cb -0.09 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 2kb0 s ALA 41 CO 0.01 0.53 -0.02 0.08 0.00 0.00 0.00 175.76 176.36 2kb0 s VAL 42 N -0.74 4.15 -0.13 0.00 1.01 0.40 -4.92 120.40 120.16 2kb0 s VAL 42 Ca 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2kb0 s VAL 42 Cb -0.12 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2kb0 s VAL 42 CO 0.03 0.58 0.02 -0.89 0.00 0.00 0.00 175.10 174.84 2kb0 s THR 43 N -0.65 4.43 -0.07 3.92 2.01 -1.26 -0.56 115.64 123.46 2kb0 s THR 43 Ca 0.10 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.97 2kb0 s THR 43 Cb -0.12 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 2kb0 s THR 43 CO 0.02 0.54 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.59 2kb0 s VAL 44 N -0.21 2.41 -0.12 3.82 1.01 -0.24 -4.94 120.40 122.13 2kb0 s VAL 44 Ca 0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2kb0 s VAL 44 Cb -0.12 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2kb0 s VAL 44 CO 0.02 0.57 -0.05 -0.04 0.00 0.00 0.00 175.10 175.60 2kb0 s MET 45 N -0.17 3.34 -0.03 2.72 -1.94 -1.26 -1.02 119.30 120.94 2kb0 s MET 45 Ca -0.02 -0.52 0.03 0.00 -1.71 0.00 0.00 55.69 53.47 2kb0 s MET 45 Cb -0.14 -2.80 -0.00 0.00 2.01 0.00 0.00 34.83 33.90 2kb0 s MET 45 CO 0.04 0.40 -0.13 0.42 -0.01 0.00 0.00 175.02 175.74 2kb0 s ILE 46 N -0.09 1.11 -0.07 2.53 1.01 -1.20 -4.95 121.20 119.54 2kb0 s ILE 46 Ca 0.02 -0.54 0.19 0.00 0.00 0.00 0.00 60.65 60.32 2kb0 s ILE 46 Cb -0.13 -0.96 0.19 0.00 0.01 0.00 0.00 42.46 41.57 2kb0 s ILE 46 CO 0.03 0.33 1.55 1.23 0.00 0.00 0.00 174.94 178.07 2kb0 h GLY 47 N 6.29 0.00 0.27 6.18 0.00 -2.03 0.38 103.07 114.16 2kb0 h GLY 47 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2kb0 h GLY 47 CO 0.48 0.00 -0.66 0.61 0.00 0.00 0.00 176.54 176.97 2kb0 n GLY 48 N -1.28 -0.91 0.00 4.60 0.00 -1.26 -4.99 105.19 101.35 2kb0 n GLY 48 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2kb0 n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kb0 n GLU 49 N -1.21 0.00 -2.39 1.61 -0.58 0.13 -5.13 120.64 113.07 2kb0 n GLU 49 Ca 0.06 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.39 2kb0 n GLU 49 Cb 0.35 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.19 2kb0 n GLU 49 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kb0 s PRO 50 N -1.04 4.53 0.08 3.49 0.04 -1.25 -3.22 135.00 137.63 2kb0 s PRO 50 Ca 0.00 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.94 2kb0 s PRO 50 Cb 0.00 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2kb0 s PRO 50 CO 0.00 0.00 -0.08 0.71 0.04 0.00 0.00 177.00 177.67 2kb0 s TYR 51 N -0.49 0.92 -0.01 0.56 2.02 -0.18 -4.93 117.35 115.24 2kb0 s TYR 51 Ca 0.50 -0.70 0.08 0.00 -0.37 0.00 0.00 57.07 56.58 2kb0 s TYR 51 Cb -0.33 -0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.69 2kb0 s TYR 51 CO 0.39 -0.07 -0.24 0.99 -1.57 0.00 0.00 175.55 175.06 2kb0 s THR 52 N -2.55 2.24 -0.10 -0.71 2.01 -1.26 -1.08 115.64 114.19 2kb0 s THR 52 Ca 0.04 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 60.94 2kb0 s THR 52 Cb -0.02 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.69 2kb0 s THR 52 CO -0.01 0.53 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.54 2kb0 s LEU 53 N -0.79 1.70 -0.19 4.42 1.43 0.28 -3.21 118.68 122.31 2kb0 s LEU 53 Ca 0.11 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 2kb0 s LEU 53 Cb -0.10 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 2kb0 s LEU 53 CO 0.00 0.02 0.24 -0.83 0.23 0.00 0.00 176.35 176.01 2kb0 s GLY 54 N 0.92 2.11 -0.22 -3.19 0.00 -1.18 -0.46 107.32 105.30 2kb0 s GLY 54 Ca -0.08 -0.60 -0.06 0.00 0.00 0.00 0.00 44.72 43.97 2kb0 s GLY 54 CO -0.00 0.40 0.03 1.08 0.00 0.00 0.00 173.10 174.61 2kb0 s LEU 55 N 0.66 3.35 -0.10 0.66 1.43 -1.16 -3.41 118.68 120.10 2kb0 s LEU 55 Ca 0.13 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2kb0 s LEU 55 Cb -0.13 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 2kb0 s LEU 55 CO 0.03 0.02 -0.09 0.12 0.23 0.00 0.00 176.35 176.66 2kb0 s PHE 56 N 1.28 2.90 0.20 0.29 5.36 -1.23 -3.63 117.98 123.14 2kb0 s PHE 56 Ca 0.04 -0.24 -0.05 0.00 -0.96 0.00 0.00 56.93 55.72 2kb0 s PHE 56 Cb -0.15 -1.79 -0.06 0.00 -0.34 0.00 0.00 43.02 40.69 2kb0 s PHE 56 CO 0.02 0.09 0.45 0.34 -1.46 0.00 0.00 175.22 174.67 2kb0 s ASP 57 N -0.23 6.49 0.21 6.13 2.15 -1.26 -3.03 116.67 127.12 2kb0 s ASP 57 Ca 0.03 0.66 -0.32 0.00 0.43 0.00 0.00 52.55 53.34 2kb0 s ASP 57 Cb -0.13 -2.12 -0.12 0.00 -0.30 0.00 0.00 42.92 40.25 2kb0 s ASP 57 CO 0.03 -0.04 1.69 0.41 -0.17 0.00 0.00 175.17 177.08 2kb0 n THR 58 N -0.30 0.08 -3.70 1.71 -1.04 -1.26 -4.97 114.28 104.80 2kb0 n THR 58 Ca -0.02 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 61.83 2kb0 n THR 58 Cb 0.53 -1.91 -0.08 0.00 -1.82 0.00 0.00 70.33 67.05 2kb0 n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kb0 s ALA 59 N 1.04 -1.01 0.00 2.41 0.00 -1.26 -4.88 121.76 118.06 2kb0 s ALA 59 Ca 0.75 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2kb0 s ALA 59 Cb -0.53 0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.67 2kb0 s ALA 59 CO 0.34 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2kb0 n GLY 60 N 1.14 0.60 0.33 0.00 0.00 -1.26 -4.90 105.19 101.10 2kb0 n GLY 60 Ca -0.21 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.00 2kb0 n GLY 60 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kb0 h GLN 61 N 3.93 0.00 0.00 1.61 5.75 -1.89 -1.78 115.11 122.73 2kb0 h GLN 61 Ca 0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2kb0 h GLN 61 Cb 0.00 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.57 2kb0 h GLN 61 CO 0.00 0.00 0.04 0.39 -2.65 0.00 0.00 178.83 176.61 2kb0 n GLU 62 N -3.42 -0.48 0.00 1.69 1.02 -1.26 -4.77 120.64 113.42 2kb0 n GLU 62 Ca -0.02 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 2kb0 n GLU 62 Cb 0.17 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 2kb0 n GLU 62 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kb0 n ASP 63 N -3.13 0.32 -0.16 1.62 5.68 -1.26 -2.12 116.55 117.49 2kb0 n ASP 63 Ca 0.02 -0.33 0.08 0.00 -0.50 0.00 0.00 54.79 54.06 2kb0 n ASP 63 Cb 0.06 -0.08 0.13 0.00 -1.14 0.00 0.00 41.12 40.09 2kb0 n ASP 63 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2kb0 n TYR 64 N 0.64 0.11 1.05 2.11 4.01 -1.26 -4.68 117.16 119.16 2kb0 n TYR 64 Ca 0.00 -0.89 0.03 0.00 -0.16 0.00 0.00 57.90 56.88 2kb0 n TYR 64 Cb 0.06 -0.15 0.17 0.00 -0.31 0.00 0.00 39.34 39.11 2kb0 n TYR 64 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2kb0 n ASP 65 N -1.13 0.00 -0.07 7.72 5.68 -0.67 -3.38 116.55 124.71 2kb0 n ASP 65 Ca 0.14 -0.88 0.12 0.00 -0.50 0.00 0.00 54.79 53.67 2kb0 n ASP 65 Cb 0.59 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.08 2kb0 n ASP 65 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2kb0 h ARG 66 N 0.00 0.38 -0.52 0.11 3.08 -1.85 -0.20 114.38 115.38 2kb0 h ARG 66 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2kb0 h ARG 66 Cb 0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 2kb0 h ARG 66 CO 0.00 0.25 0.25 -0.07 -1.07 0.00 0.00 179.97 179.34 2kb0 h LEU 67 N 0.40 0.65 -0.42 3.04 3.38 -1.95 -3.49 115.31 116.93 2kb0 h LEU 67 Ca 0.26 -0.06 0.29 0.00 0.09 0.00 0.00 57.88 58.47 2kb0 h LEU 67 Cb 0.52 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 40.96 2kb0 h LEU 67 CO -0.07 0.56 -0.87 0.54 0.09 0.00 0.00 178.44 178.68 2kb0 n ARG 68 N -4.38 -2.63 0.00 1.13 1.74 -0.09 -3.09 116.66 109.35 2kb0 n ARG 68 Ca 0.04 2.05 0.00 0.00 -0.77 0.00 0.00 57.85 59.17 2kb0 n ARG 68 Cb 0.12 -3.21 0.00 0.00 -1.02 0.00 0.00 32.46 28.35 2kb0 n ARG 68 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2kb0 n PRO 69 N -3.98 0.00 0.06 5.56 -0.02 -1.26 -2.53 135.00 132.83 2kb0 n PRO 69 Ca -0.05 0.04 0.16 0.00 -2.02 0.00 0.00 63.50 61.62 2kb0 n PRO 69 Cb 0.61 -1.56 0.65 0.00 -0.02 0.00 0.00 33.50 33.18 2kb0 n PRO 69 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kb0 h LEU 70 N 0.00 0.06 -1.06 2.45 3.38 -1.94 -0.83 115.31 117.37 2kb0 h LEU 70 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kb0 h LEU 70 Cb 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2kb0 h LEU 70 CO 0.00 0.04 0.39 0.28 0.09 0.00 0.00 178.44 179.24 2kb0 h SER 71 N 0.07 0.94 -3.00 -0.43 0.02 -1.65 -3.34 113.55 106.16 2kb0 h SER 71 Ca 0.19 -0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.45 2kb0 h SER 71 Cb 0.66 -0.24 -0.40 0.00 0.14 0.00 0.00 62.40 62.57 2kb0 h SER 71 CO -0.01 0.77 -0.77 -0.31 -1.14 0.00 0.00 176.83 175.37 2kb0 s TYR 72 N -5.66 2.10 1.00 3.45 2.02 -0.32 -5.12 117.35 114.81 2kb0 s TYR 72 Ca -0.11 -2.62 -0.16 0.00 -0.37 0.00 0.00 57.07 53.81 2kb0 s TYR 72 Cb 0.17 -1.77 0.20 0.00 -0.40 0.00 0.00 41.96 40.15 2kb0 s TYR 72 CO 0.81 -0.73 1.24 -1.25 -1.57 0.00 0.00 175.55 174.04 2kb0 s PRO 73 N -0.22 0.40 0.00 -1.71 0.04 -1.18 -4.72 135.00 127.61 2kb0 s PRO 73 Ca 0.24 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2kb0 s PRO 73 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2kb0 s PRO 73 CO -0.11 -2.61 0.00 0.94 0.04 0.00 0.00 177.00 175.26 2kb0 n GLN 74 N -3.96 -0.89 -4.15 4.56 -0.06 -1.26 -4.91 117.38 106.71 2kb0 n GLN 74 Ca 0.13 0.85 -0.34 0.00 -2.00 0.00 0.00 57.00 55.64 2kb0 n GLN 74 Cb 0.60 -0.61 -0.10 0.00 -4.06 0.00 0.00 30.24 26.06 2kb0 n GLN 74 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2kb0 s THR 75 N 0.00 4.49 0.26 1.69 2.01 -1.26 -4.99 115.64 117.84 2kb0 s THR 75 Ca 0.00 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 2kb0 s THR 75 Cb 0.00 -3.00 0.16 0.00 0.01 0.00 0.00 72.50 69.67 2kb0 s THR 75 CO 0.00 0.49 1.82 -0.78 -0.69 0.00 0.00 174.62 175.46 2kb0 h ASP 76 N 6.53 0.88 -4.34 3.53 3.58 -1.91 -3.45 116.42 121.25 2kb0 h ASP 76 Ca -0.37 -0.14 -0.11 0.00 0.42 0.00 0.00 57.03 56.83 2kb0 h ASP 76 Cb 1.18 -0.23 -0.22 0.00 1.72 0.00 0.00 39.33 41.78 2kb0 h ASP 76 CO 0.67 0.82 -0.20 0.54 -2.88 0.00 0.00 179.24 178.19 2kb0 s VAL 77 N -5.35 0.02 -0.20 2.25 0.11 -1.24 -4.89 120.40 111.09 2kb0 s VAL 77 Ca -0.11 -0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 2kb0 s VAL 77 Cb 0.16 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 2kb0 s VAL 77 CO 0.81 -0.08 0.07 -0.36 -3.33 0.00 0.00 175.10 172.21 2kb0 s PHE 78 N -0.40 3.19 -0.15 1.54 0.40 -1.20 -3.79 117.98 117.57 2kb0 s PHE 78 Ca -0.05 -0.07 -0.02 0.00 -0.60 0.00 0.00 56.93 56.19 2kb0 s PHE 78 Cb -0.03 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 2kb0 s PHE 78 CO 0.03 -0.01 -0.09 -1.17 0.70 0.00 0.00 175.22 174.67 2kb0 s LEU 79 N 0.79 2.90 -0.05 -0.37 2.96 -1.15 -2.70 118.68 121.05 2kb0 s LEU 79 Ca 0.04 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.72 2kb0 s LEU 79 Cb -0.13 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 2kb0 s LEU 79 CO 0.02 0.14 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.30 2kb0 s VAL 80 N 0.49 1.72 -0.06 1.68 1.01 -0.98 -3.19 120.40 121.07 2kb0 s VAL 80 Ca -0.07 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2kb0 s VAL 80 Cb -0.15 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.78 2kb0 s VAL 80 CO 0.04 0.49 -0.12 0.00 0.00 0.00 0.00 175.10 175.51 2kb0 s PHE 82 N 0.59 0.56 0.07 0.00 -0.71 -1.25 -3.40 117.98 113.84 2kb0 s PHE 82 Ca -0.12 -1.07 -0.30 0.00 -1.04 0.00 0.00 56.93 54.39 2kb0 s PHE 82 Cb -0.15 -0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 41.23 2kb0 s PHE 82 CO 0.03 -0.42 0.97 0.45 -1.34 0.00 0.00 175.22 174.90 2kb0 s SER 83 N -2.94 7.44 0.40 1.98 0.15 -1.26 -3.91 113.70 115.56 2kb0 s SER 83 Ca 0.10 1.74 0.17 0.00 0.70 0.00 0.00 55.95 58.66 2kb0 s SER 83 Cb 0.08 -2.58 0.86 0.00 -1.71 0.00 0.00 66.02 62.67 2kb0 s SER 83 CO -0.08 -0.14 1.86 0.58 1.20 0.00 0.00 173.24 176.66 2kb0 h VAL 84 N 4.34 1.06 -0.34 4.45 2.07 -1.89 -2.69 116.25 123.24 2kb0 h VAL 84 Ca -0.42 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2kb0 h VAL 84 Cb 1.21 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2kb0 h VAL 84 CO 0.73 0.31 0.00 1.33 0.02 0.00 0.00 177.57 179.96 2kb0 n VAL 85 N -3.90 0.45 -3.58 2.57 0.24 -1.26 -3.66 118.33 109.18 2kb0 n VAL 85 Ca -0.02 -0.54 -0.37 0.00 -2.04 0.00 0.00 64.34 61.37 2kb0 n VAL 85 Cb 0.39 0.44 -0.09 0.00 -1.47 0.00 0.00 33.84 33.11 2kb0 n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2kb0 s SER 86 N -1.29 6.19 -0.08 -1.34 0.15 -1.02 -4.84 113.70 111.47 2kb0 s SER 86 Ca 0.33 0.20 -0.07 0.00 0.70 0.00 0.00 55.95 57.11 2kb0 s SER 86 Cb 0.18 -2.14 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 2kb0 s SER 86 CO 0.25 0.02 0.26 1.55 1.20 0.00 0.00 173.24 176.51 2kb0 h PRO 87 N 7.56 -0.14 -0.61 5.44 0.13 -1.89 -3.25 132.00 139.24 2kb0 h PRO 87 Ca -0.37 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.89 2kb0 h PRO 87 Cb 1.17 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2kb0 h PRO 87 CO 0.66 -0.01 0.42 0.66 -0.23 0.00 0.00 178.00 179.51 2kb0 h SER 88 N -1.03 0.28 0.39 1.44 4.64 -1.99 0.43 113.55 117.72 2kb0 h SER 88 Ca -0.02 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2kb0 h SER 88 Cb 0.21 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2kb0 h SER 88 CO 0.03 0.16 -0.11 0.28 -0.87 0.00 0.00 176.83 176.31 2kb0 h SER 89 N 0.31 0.00 0.05 4.97 0.02 -1.93 -0.71 113.55 116.25 2kb0 h SER 89 Ca 0.29 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2kb0 h SER 89 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2kb0 h SER 89 CO -0.07 0.11 -0.02 0.15 -1.14 0.00 0.00 176.83 175.86 2kb0 h PHE 90 N 0.00 -0.06 -0.25 3.45 3.57 -0.17 -3.00 116.94 120.48 2kb0 h PHE 90 Ca -0.00 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 2kb0 h PHE 90 Cb 0.34 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2kb0 h PHE 90 CO 0.00 0.35 -0.38 0.93 -2.23 0.00 0.00 178.31 176.99 2kb0 h GLU 91 N -0.49 0.56 -0.71 1.11 3.07 -1.43 -2.84 114.58 113.84 2kb0 h GLU 91 Ca -0.01 -0.27 0.15 0.00 -0.50 0.00 0.00 59.36 58.73 2kb0 h GLU 91 Cb 0.44 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 2kb0 h GLU 91 CO 0.01 0.85 0.48 -0.91 -1.40 0.00 0.00 179.01 178.04 2kb0 h ASN 92 N 0.47 0.31 -0.64 1.42 2.35 -1.11 0.49 115.58 118.86 2kb0 h ASN 92 Ca 0.05 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2kb0 h ASN 92 Cb 0.87 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 2kb0 h ASN 92 CO 0.07 0.16 0.28 0.58 -1.65 0.00 0.00 177.43 176.88 2kb0 h VAL 93 N 0.33 1.23 0.05 2.81 2.07 -1.36 -1.88 116.25 119.51 2kb0 h VAL 93 Ca 0.34 -0.70 -0.35 0.00 0.82 0.00 0.00 66.70 66.81 2kb0 h VAL 93 Cb 0.88 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2kb0 h VAL 93 CO -0.09 0.29 -2.07 1.17 0.02 0.00 0.00 177.57 176.88 2kb0 n LYS 94 N -4.31 0.70 -0.07 1.57 4.81 -0.08 -1.99 118.16 118.79 2kb0 n LYS 94 Ca 0.06 0.21 -0.07 0.00 -0.87 0.00 0.00 58.31 57.64 2kb0 n LYS 94 Cb 0.17 -1.67 0.11 0.00 0.02 0.00 0.00 35.03 33.65 2kb0 n LYS 94 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kb0 h GLU 95 N 0.03 0.72 0.00 1.64 5.08 -0.11 -3.30 114.58 118.65 2kb0 h GLU 95 Ca -0.44 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 57.51 2kb0 h GLU 95 Cb 2.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 2kb0 h GLU 95 CO 0.04 0.89 -1.30 1.63 -1.00 0.00 0.00 179.01 179.27 2kb0 n LYS 96 N -4.11 0.18 0.12 2.33 5.02 -0.72 -4.66 118.16 116.33 2kb0 n LYS 96 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2kb0 n LYS 96 Cb 0.43 -0.81 0.30 0.00 -0.02 0.00 0.00 35.03 34.93 2kb0 n LYS 96 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2kb0 h TRP 97 N -0.32 0.21 0.07 2.13 4.06 -1.49 -2.31 115.95 118.30 2kb0 h TRP 97 Ca -0.19 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.72 2kb0 h TRP 97 Cb 1.05 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.16 2kb0 h TRP 97 CO -0.05 0.49 -0.03 0.28 -3.56 0.00 0.00 178.44 175.57 2kb0 h VAL 98 N 0.16 1.23 -0.11 1.49 2.07 -1.48 -3.01 116.25 116.62 2kb0 h VAL 98 Ca 0.02 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 2kb0 h VAL 98 Cb 0.65 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2kb0 h VAL 98 CO 0.05 0.29 -0.26 1.55 0.02 0.00 0.00 177.57 179.22 2kb0 h PRO 99 N -0.65 0.37 -0.77 1.57 0.13 -1.72 -3.16 132.00 127.77 2kb0 h PRO 99 Ca -0.01 -0.25 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 2kb0 h PRO 99 Cb 0.55 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 2kb0 h PRO 99 CO 0.01 0.86 0.37 0.93 -0.23 0.00 0.00 178.00 179.94 2kb0 h GLU 100 N -0.07 1.10 0.00 0.86 5.08 -1.56 -2.21 114.58 117.78 2kb0 h GLU 100 Ca -0.00 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 2kb0 h GLU 100 Cb 0.86 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2kb0 h GLU 100 CO 0.06 0.85 -0.29 0.97 -1.00 0.00 0.00 179.01 179.59 2kb0 h ILE 101 N 1.09 0.90 -0.92 3.13 6.09 -1.60 -2.91 117.51 123.29 2kb0 h ILE 101 Ca 0.27 -1.15 -0.02 0.00 -1.37 0.00 0.00 64.86 62.59 2kb0 h ILE 101 Cb 0.11 1.68 -0.04 0.00 0.47 0.00 0.00 36.82 39.04 2kb0 h ILE 101 CO -0.03 0.29 0.51 0.74 -3.07 0.00 0.00 178.15 176.59 2kb0 h THR 102 N 0.00 1.26 -0.73 2.19 2.02 -1.35 -1.98 112.91 114.32 2kb0 h THR 102 Ca -0.00 -0.63 0.13 0.00 0.77 0.00 0.00 66.41 66.68 2kb0 h THR 102 Cb 0.66 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 2kb0 h THR 102 CO 0.04 0.29 0.49 0.45 0.37 0.00 0.00 175.52 177.16 2kb0 h HIS 103 N 1.28 0.51 -0.55 3.16 3.86 -1.52 -0.71 115.15 121.19 2kb0 h HIS 103 Ca 0.32 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.53 2kb0 h HIS 103 Cb 0.01 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 2kb0 h HIS 103 CO 0.01 0.21 0.26 1.25 0.86 0.00 0.00 177.93 180.52 2kb0 h HIS 104 N 0.45 0.79 0.00 2.45 6.17 -1.48 -3.48 115.15 120.05 2kb0 h HIS 104 Ca 0.35 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.40 2kb0 h HIS 104 Cb 0.75 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.43 2kb0 h HIS 104 CO -0.00 0.61 0.00 0.00 0.71 0.00 0.00 177.93 179.25 2kb0 n PRO 106 N -0.97 0.84 0.00 0.00 -0.04 -1.26 -4.36 135.00 129.21 2kb0 n PRO 106 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kb0 n PRO 106 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2kb0 n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kb0 n LYS 107 N -0.11 0.00 -3.22 0.54 5.02 -1.26 -4.79 118.16 114.34 2kb0 n LYS 107 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 2kb0 n LYS 107 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 2kb0 n LYS 107 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2kb0 n THR 108 N 0.00 -6.43 -1.64 -0.18 -2.24 -1.26 -4.72 114.28 97.81 2kb0 n THR 108 Ca 0.00 0.49 -0.53 0.00 -2.27 0.00 0.00 64.05 61.75 2kb0 n THR 108 Cb 0.00 -4.85 -0.06 0.00 -2.10 0.00 0.00 70.33 63.32 2kb0 n THR 108 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2kb0 n PRO 109 N 0.01 1.35 -4.35 -0.78 -0.02 -1.26 -4.96 135.00 124.99 2kb0 n PRO 109 Ca -0.01 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 2kb0 n PRO 109 Cb 0.55 -2.18 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 2kb0 n PRO 109 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2kb0 s PHE 110 N 1.68 2.88 -0.19 6.00 5.36 -1.26 -3.23 117.98 129.22 2kb0 s PHE 110 Ca 0.88 -0.81 -0.01 0.00 -0.96 0.00 0.00 56.93 56.03 2kb0 s PHE 110 Cb -0.93 -1.96 0.01 0.00 -0.34 0.00 0.00 43.02 39.79 2kb0 s PHE 110 CO 0.51 -0.38 -0.14 -1.17 -1.46 0.00 0.00 175.22 172.59 2kb0 s LEU 111 N 0.87 2.45 -0.24 6.12 2.96 -1.10 -3.40 118.68 126.34 2kb0 s LEU 111 Ca -0.02 -0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 2kb0 s LEU 111 Cb -0.15 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 2kb0 s LEU 111 CO 0.00 0.01 0.09 -0.76 -1.32 0.00 0.00 176.35 174.38 2kb0 s LEU 112 N 1.25 3.61 -0.11 -0.68 1.43 -1.19 -2.32 118.68 120.67 2kb0 s LEU 112 Ca 0.03 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2kb0 s LEU 112 Cb -0.14 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 2kb0 s LEU 112 CO -0.07 0.00 -0.07 -0.69 0.23 0.00 0.00 176.35 175.75 2kb0 s VAL 113 N 1.41 3.63 -0.24 -1.59 1.01 -1.03 -0.25 120.40 123.35 2kb0 s VAL 113 Ca 0.06 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2kb0 s VAL 113 Cb -0.15 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2kb0 s VAL 113 CO 0.05 0.55 0.18 -0.83 0.00 0.00 0.00 175.10 175.04 2kb0 s GLY 114 N -0.17 1.99 0.26 4.51 0.00 1.00 -3.86 107.32 111.04 2kb0 s GLY 114 Ca 0.02 -0.86 0.09 0.00 0.00 0.00 0.00 44.72 43.96 2kb0 s GLY 114 CO 0.03 0.44 0.06 -0.51 0.00 0.00 0.00 173.10 173.11 2kb0 s THR 115 N 1.10 3.77 -1.41 0.90 -4.23 -1.25 0.45 115.64 114.97 2kb0 s THR 115 Ca 0.08 -1.74 -0.10 0.00 -1.18 0.00 0.00 61.69 58.76 2kb0 s THR 115 Cb -0.14 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.72 2kb0 s THR 115 CO 0.05 -0.36 1.10 0.00 -0.54 0.00 0.00 174.62 174.87 2kb0 n GLN 116 N -0.95 -7.06 0.00 3.99 6.02 -1.19 -3.93 117.38 114.26 2kb0 n GLN 116 Ca -0.07 0.75 0.07 0.00 -0.01 0.00 0.00 57.00 57.74 2kb0 n GLN 116 Cb 0.58 -5.74 0.37 0.00 1.02 0.00 0.00 30.24 26.47 2kb0 n GLN 116 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2kb0 n ILE 117 N -4.85 0.56 0.13 5.09 -5.35 -1.25 -1.80 119.36 111.88 2kb0 n ILE 117 Ca -0.00 0.14 0.07 0.00 -0.27 0.00 0.00 62.75 62.68 2kb0 n ILE 117 Cb 0.56 -0.90 0.03 0.00 -1.74 0.00 0.00 39.64 37.58 2kb0 n ILE 117 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2kb0 h ASP 118 N 0.00 0.00 -0.19 7.28 3.32 -1.91 -3.28 116.42 121.64 2kb0 h ASP 118 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2kb0 h ASP 118 Cb 0.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2kb0 h ASP 118 CO 0.00 0.27 0.08 0.25 -1.72 0.00 0.00 179.24 178.12 2kb0 h LEU 119 N 0.00 0.31 -2.38 1.55 5.85 -1.73 -0.91 115.31 118.00 2kb0 h LEU 119 Ca -0.04 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2kb0 h LEU 119 Cb 1.24 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2kb0 h LEU 119 CO 0.03 0.31 0.08 -0.09 -0.34 0.00 0.00 178.44 178.43 2kb0 h ARG 120 N 0.35 0.00 -0.01 1.25 2.43 -1.73 0.12 114.38 116.79 2kb0 h ARG 120 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2kb0 h ARG 120 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2kb0 h ARG 120 CO -0.01 0.00 -0.37 -0.25 -1.51 0.00 0.00 179.97 177.84 2kb0 n ASP 121 N -3.80 1.38 -4.76 -3.80 8.00 -0.36 -4.79 116.55 108.42 2kb0 n ASP 121 Ca -0.01 -1.11 -0.40 0.00 0.71 0.00 0.00 54.79 53.99 2kb0 n ASP 121 Cb 0.18 0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 2kb0 n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kb0 s ASP 122 N -2.52 6.97 0.06 -2.24 2.15 0.40 -4.95 116.67 116.54 2kb0 s ASP 122 Ca 0.21 2.35 -0.20 0.00 0.43 0.00 0.00 52.55 55.34 2kb0 s ASP 122 Cb 0.19 -2.63 -0.12 0.00 -0.30 0.00 0.00 42.92 40.06 2kb0 s ASP 122 CO 0.55 -0.36 1.44 1.55 -0.17 0.00 0.00 175.17 178.18 2kb0 h PRO 123 N 3.38 0.34 0.00 4.34 0.13 -1.91 -2.92 132.00 135.36 2kb0 h PRO 123 Ca -0.48 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 2kb0 h PRO 123 Cb 1.22 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kb0 h PRO 123 CO 0.65 0.62 -0.05 0.66 -0.23 0.00 0.00 178.00 179.65 2kb0 h SER 124 N 0.04 0.00 -0.04 1.44 4.64 -1.94 -0.79 113.55 116.90 2kb0 h SER 124 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2kb0 h SER 124 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2kb0 h SER 124 CO 0.02 0.05 -0.03 0.74 -0.87 0.00 0.00 176.83 176.73 2kb0 h THR 125 N 0.00 1.36 -0.99 2.95 2.02 -1.80 0.67 112.91 117.13 2kb0 h THR 125 Ca -0.00 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.06 2kb0 h THR 125 Cb 0.10 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 2kb0 h THR 125 CO 0.01 0.30 0.65 0.40 0.37 0.00 0.00 175.52 177.26 2kb0 h ILE 126 N -0.34 1.26 -0.08 3.11 2.04 -1.20 -0.37 117.51 121.92 2kb0 h ILE 126 Ca 0.01 -0.46 -0.23 0.00 1.00 0.00 0.00 64.86 65.17 2kb0 h ILE 126 Cb 0.51 -0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2kb0 h ILE 126 CO 0.01 0.25 -0.84 -0.08 0.00 0.00 0.00 178.15 177.48 2kb0 h GLU 127 N 1.34 0.72 -0.47 2.37 4.81 -1.07 0.14 114.58 122.42 2kb0 h GLU 127 Ca 0.36 -0.66 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2kb0 h GLU 127 Cb -0.15 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2kb0 h GLU 127 CO -0.08 1.26 0.24 -0.22 -0.73 0.00 0.00 179.01 179.48 2kb0 h LYS 128 N 0.41 0.66 0.16 1.92 3.64 0.80 -1.39 116.57 122.76 2kb0 h LYS 128 Ca -0.08 -0.09 -0.30 0.00 -1.27 0.00 0.00 60.65 58.91 2kb0 h LYS 128 Cb 1.49 -0.12 0.03 0.00 -0.41 0.00 0.00 32.23 33.21 2kb0 h LYS 128 CO 0.17 0.55 -1.30 -0.07 -2.27 0.00 0.00 179.45 176.53 2kb0 h LEU 129 N 0.61 0.77 -0.12 5.20 -0.00 -1.14 -2.97 115.31 117.66 2kb0 h LEU 129 Ca 0.16 -0.76 0.03 0.00 -0.00 0.00 0.00 57.88 57.31 2kb0 h LEU 129 Cb 0.09 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.47 2kb0 h LEU 129 CO -0.02 1.57 -0.07 0.00 -0.00 0.00 0.00 178.44 179.93 2kb0 h ALA 130 N 0.33 0.04 -0.47 1.53 0.00 0.32 1.45 119.26 122.46 2kb0 h ALA 130 Ca -0.19 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2kb0 h ALA 130 Cb 1.98 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 2kb0 h ALA 130 CO 0.24 -0.52 0.22 -0.22 0.00 0.00 0.00 179.25 178.97 2kb0 h LYS 131 N -0.06 0.69 -0.04 0.00 3.64 -1.35 -3.13 116.57 116.32 2kb0 h LYS 131 Ca 0.07 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2kb0 h LYS 131 Cb 0.16 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2kb0 h LYS 131 CO -0.16 0.59 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.65 2kb0 h ASN 132 N 0.62 0.11 0.00 4.20 -0.26 -1.28 -3.47 115.58 115.49 2kb0 h ASN 132 Ca 0.16 -0.52 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 2kb0 h ASN 132 Cb 0.13 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 2kb0 h ASN 132 CO -0.02 0.60 0.00 0.29 -1.06 0.00 0.00 177.43 177.24 2kb0 n LYS 133 N -4.75 0.00 0.00 0.81 5.02 0.49 -5.09 118.16 114.63 2kb0 n LYS 133 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 2kb0 n LYS 133 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 2kb0 n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kb0 n GLN 134 N -0.07 0.00 -4.31 1.97 10.64 -0.53 -4.57 117.38 120.51 2kb0 n GLN 134 Ca 0.00 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.01 2kb0 n GLN 134 Cb 0.00 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.28 2kb0 n GLN 134 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2kb0 s LYS 135 N 2.93 1.32 1.01 2.61 -2.85 -1.26 0.13 119.74 123.63 2kb0 s LYS 135 Ca 0.00 -1.68 -0.21 0.00 -1.00 0.00 0.00 55.97 53.08 2kb0 s LYS 135 Cb 0.00 -0.41 -0.11 0.00 -2.06 0.00 0.00 37.83 35.25 2kb0 s LYS 135 CO 0.00 -0.18 -0.81 -2.30 0.10 0.00 0.00 175.35 172.16 2kb0 n PRO 136 N -0.40 -0.28 -3.49 1.78 -0.02 -1.26 -4.94 135.00 126.38 2kb0 n PRO 136 Ca -0.04 -0.07 -0.34 0.00 -2.02 0.00 0.00 63.50 61.03 2kb0 n PRO 136 Cb 0.65 -1.22 -0.05 0.00 -0.02 0.00 0.00 33.50 32.86 2kb0 n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kb0 s ILE 137 N -2.09 5.00 0.44 4.25 1.01 -1.24 -5.07 121.20 123.50 2kb0 s ILE 137 Ca 0.43 0.56 -0.10 0.00 0.00 0.00 0.00 60.65 61.55 2kb0 s ILE 137 Cb -0.07 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 2kb0 s ILE 137 CO 0.72 0.23 0.80 0.42 0.00 0.00 0.00 174.94 177.11 2kb0 s THR 138 N -1.47 4.79 0.59 2.92 -4.23 -1.26 -4.89 115.64 112.10 2kb0 s THR 138 Ca 0.36 0.59 0.33 0.00 -1.18 0.00 0.00 61.69 61.79 2kb0 s THR 138 Cb -0.14 -3.76 0.37 0.00 1.34 0.00 0.00 72.50 70.31 2kb0 s THR 138 CO 0.19 -0.63 2.27 1.55 -0.54 0.00 0.00 174.62 177.47 2kb0 h PRO 139 N 0.96 0.00 -0.62 3.99 0.13 -1.97 -2.40 132.00 132.09 2kb0 h PRO 139 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2kb0 h PRO 139 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2kb0 h PRO 139 CO 0.63 0.01 0.19 1.49 -0.23 0.00 0.00 178.00 180.09 2kb0 h GLU 140 N 0.00 0.97 -0.58 0.86 4.81 -1.98 0.23 114.58 118.89 2kb0 h GLU 140 Ca -0.00 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 2kb0 h GLU 140 Cb 0.03 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2kb0 h GLU 140 CO 0.00 0.86 0.24 1.15 -0.73 0.00 0.00 179.01 180.53 2kb0 h THR 141 N 0.89 1.21 0.02 0.32 2.02 -1.82 -2.14 112.91 113.41 2kb0 h THR 141 Ca 0.20 -0.64 -0.25 0.00 0.77 0.00 0.00 66.41 66.49 2kb0 h THR 141 Cb 0.30 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2kb0 h THR 141 CO -0.00 0.25 -1.02 0.00 0.37 0.00 0.00 175.52 175.12 2kb0 h ALA 142 N 1.43 0.26 -0.39 6.16 0.00 -1.49 -3.22 119.26 122.00 2kb0 h ALA 142 Ca 0.20 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2kb0 h ALA 142 Cb 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kb0 h ALA 142 CO -0.02 0.79 0.11 1.49 0.00 0.00 0.00 179.25 181.62 2kb0 h GLU 143 N 0.25 0.57 -0.51 0.00 4.81 -0.11 -2.33 114.58 117.27 2kb0 h GLU 143 Ca -0.11 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 58.92 2kb0 h GLU 143 Cb 1.67 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.93 2kb0 h GLU 143 CO 0.18 0.52 -0.14 0.87 -0.73 0.00 0.00 179.01 179.71 2kb0 h LYS 144 N 0.56 0.97 -0.80 1.92 1.57 -1.43 0.56 116.57 119.93 2kb0 h LYS 144 Ca 0.13 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2kb0 h LYS 144 Cb 0.19 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2kb0 h LYS 144 CO -0.01 1.03 0.35 1.25 -0.57 0.00 0.00 179.45 181.51 2kb0 h LEU 145 N 0.85 1.06 -0.00 2.94 7.12 -1.45 -1.93 115.31 123.91 2kb0 h LEU 145 Ca 0.13 -0.14 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 2kb0 h LEU 145 Cb 0.69 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2kb0 h LEU 145 CO 0.05 0.92 -0.11 0.00 -0.13 0.00 0.00 178.44 179.17 2kb0 h ALA 146 N 1.24 0.02 0.00 1.25 0.00 -1.21 -3.10 119.26 117.46 2kb0 h ALA 146 Ca 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kb0 h ALA 146 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kb0 h ALA 146 CO -0.03 -0.02 0.00 -2.13 0.00 0.00 0.00 179.25 177.07 2kb0 n ARG 147 N -4.62 0.45 -0.01 0.00 0.63 0.17 -0.91 116.66 112.36 2kb0 n ARG 147 Ca -0.09 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.89 2kb0 n ARG 147 Cb 0.43 -1.25 -0.09 0.00 0.45 0.00 0.00 32.46 31.99 2kb0 n ARG 147 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2kb0 n ASP 148 N -0.75 2.20 -1.69 6.15 8.00 -0.73 -4.52 116.55 125.21 2kb0 n ASP 148 Ca 0.05 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.39 2kb0 n ASP 148 Cb 0.02 1.48 0.13 0.00 -0.02 0.00 0.00 41.12 42.74 2kb0 n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kb0 n LEU 149 N -1.97 5.25 -2.34 0.64 4.77 -0.81 -4.90 117.00 117.63 2kb0 n LEU 149 Ca -0.04 -4.11 -0.20 0.00 -0.03 0.00 0.00 56.01 51.64 2kb0 n LEU 149 Cb 0.37 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 2kb0 n LEU 149 CO 0.26 1.49 -0.25 0.29 -1.33 0.00 0.00 177.39 177.85 2kb0 n LYS 150 N -0.99 -1.74 -2.14 3.23 5.02 -1.22 -4.93 118.16 115.39 2kb0 n LYS 150 Ca 0.44 0.97 -0.37 0.00 -2.02 0.00 0.00 58.31 57.33 2kb0 n LYS 150 Cb 1.00 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 30.41 2kb0 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kb0 s ALA 151 N -2.96 2.95 0.00 7.82 0.00 -0.09 -4.89 121.76 124.60 2kb0 s ALA 151 Ca 0.00 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 2kb0 s ALA 151 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 2kb0 s ALA 151 CO 0.00 -0.83 0.95 0.28 0.00 0.00 0.00 175.76 176.16 2kb0 h VAL 152 N 1.80 0.00 -1.46 0.00 2.07 -1.86 -3.43 116.25 113.36 2kb0 h VAL 152 Ca -0.50 -0.28 0.28 0.00 0.82 0.00 0.00 66.70 67.02 2kb0 h VAL 152 Cb 1.26 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.86 2kb0 h VAL 152 CO 0.60 0.00 0.82 -0.75 0.02 0.00 0.00 177.57 178.25 2kb0 s LYS 153 N -4.02 0.34 0.20 1.57 2.20 -1.25 -5.04 119.74 113.73 2kb0 s LYS 153 Ca -0.10 -0.15 0.11 0.00 -0.36 0.00 0.00 55.97 55.47 2kb0 s LYS 153 Cb 0.01 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2kb0 s LYS 153 CO 0.31 -0.15 -0.24 1.52 -0.36 0.00 0.00 175.35 176.44 2kb0 s TYR 154 N -2.42 2.30 -0.01 4.03 1.13 -1.26 -3.15 117.35 117.97 2kb0 s TYR 154 Ca 0.11 -0.36 0.03 0.00 -1.41 0.00 0.00 57.07 55.44 2kb0 s TYR 154 Cb 0.01 -1.12 -0.01 0.00 -1.10 0.00 0.00 41.96 39.74 2kb0 s TYR 154 CO -0.04 0.52 -0.10 0.08 -2.51 0.00 0.00 175.55 173.49 2kb0 s VAL 155 N -1.75 0.80 -0.23 -3.49 1.01 0.66 -4.95 120.40 112.45 2kb0 s VAL 155 Ca 0.22 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 2kb0 s VAL 155 Cb -0.08 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2kb0 s VAL 155 CO 0.10 0.22 0.15 -1.61 0.00 0.00 0.00 175.10 173.96 2kb0 s GLU 156 N -0.25 4.10 -0.00 2.72 2.02 -1.26 -0.00 118.70 126.03 2kb0 s GLU 156 Ca 0.04 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.80 2kb0 s GLU 156 Cb -0.04 -3.49 -0.01 0.00 0.10 0.00 0.00 34.13 30.69 2kb0 s GLU 156 CO -0.00 0.14 -0.09 0.00 0.02 0.00 0.00 175.26 175.32 2kb0 s SER 158 N -0.32 5.86 0.22 0.00 0.15 -1.25 -3.16 113.70 115.20 2kb0 s SER 158 Ca 0.03 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 55.00 2kb0 s SER 158 Cb -0.04 -2.07 0.20 0.00 -1.71 0.00 0.00 66.02 62.40 2kb0 s SER 158 CO -0.00 -0.68 1.56 0.00 1.20 0.00 0.00 173.24 175.32 2kb0 h ALA 159 N 8.58 0.81 -0.45 5.45 0.00 -1.91 -0.14 119.26 131.59 2kb0 h ALA 159 Ca -0.25 -0.49 0.13 0.00 0.00 0.00 0.00 54.91 54.30 2kb0 h ALA 159 Cb 1.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2kb0 h ALA 159 CO 0.87 0.68 0.42 -0.07 0.00 0.00 0.00 179.25 181.15 2kb0 h LEU 160 N 0.35 0.00 -9.09 0.00 3.38 -1.98 -3.40 115.31 104.58 2kb0 h LEU 160 Ca 0.01 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 2kb0 h LEU 160 Cb 1.03 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 2kb0 h LEU 160 CO 0.09 0.00 -0.73 0.42 0.09 0.00 0.00 178.44 178.31 2kb0 s THR 161 N -4.73 2.02 -1.76 0.22 -4.23 -0.99 -4.90 115.64 101.27 2kb0 s THR 161 Ca -0.05 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.20 2kb0 s THR 161 Cb 0.17 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.76 2kb0 s THR 161 CO 0.61 -0.45 0.44 0.00 -0.54 0.00 0.00 174.62 174.68 2kb0 n GLN 162 N -0.53 0.50 -0.01 3.99 1.13 -1.26 -2.68 117.38 118.51 2kb0 n GLN 162 Ca -0.06 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.13 2kb0 n GLN 162 Cb 0.61 -1.06 0.49 0.00 0.11 0.00 0.00 30.24 30.39 2kb0 n GLN 162 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kb0 n LYS 163 N -0.32 1.71 -0.11 -1.09 5.02 -1.24 -3.77 118.16 118.36 2kb0 n LYS 163 Ca 0.00 -1.03 -0.21 0.00 -2.02 0.00 0.00 58.31 55.05 2kb0 n LYS 163 Cb 0.03 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 2kb0 n LYS 163 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kb0 n GLY 164 N 1.18 -0.79 0.32 0.72 0.00 -0.10 -3.83 105.19 102.69 2kb0 n GLY 164 Ca 0.18 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 2kb0 n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kb0 h LEU 165 N -1.00 1.04 -2.20 0.99 3.38 -1.80 -2.28 115.31 113.45 2kb0 h LEU 165 Ca -0.36 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.41 2kb0 h LEU 165 Cb 1.25 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2kb0 h LEU 165 CO -0.22 0.98 0.04 0.11 0.09 0.00 0.00 178.44 179.44 2kb0 h LYS 166 N 1.05 0.00 0.01 1.13 1.57 -1.76 0.91 116.57 119.48 2kb0 h LYS 166 Ca 0.23 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2kb0 h LYS 166 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2kb0 h LYS 166 CO -0.00 0.00 -0.01 -0.97 -0.57 0.00 0.00 179.45 177.90 2kb0 h ASN 167 N 0.00 -0.01 1.09 0.86 -0.73 -1.52 -3.27 115.58 112.00 2kb0 h ASN 167 Ca 0.02 -0.78 0.00 0.00 1.87 0.00 0.00 56.30 57.41 2kb0 h ASN 167 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.69 2kb0 h ASN 167 CO -0.00 0.81 -0.12 1.33 -0.37 0.00 0.00 177.43 179.07 2kb0 n VAL 168 N -4.70 0.24 -0.03 2.57 0.24 -1.04 -3.86 118.33 111.75 2kb0 n VAL 168 Ca -0.09 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 2kb0 n VAL 168 Cb 0.39 -0.40 -0.11 0.00 -1.47 0.00 0.00 33.84 32.24 2kb0 n VAL 168 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2kb0 h PHE 169 N 0.00 -0.01 -0.82 6.34 3.57 0.76 -2.54 116.94 124.25 2kb0 h PHE 169 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2kb0 h PHE 169 Cb 0.61 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2kb0 h PHE 169 CO 0.00 0.66 0.54 -0.44 -2.23 0.00 0.00 178.31 176.84 2kb0 h ASP 170 N -0.69 0.92 -0.05 0.41 3.32 -1.68 -1.80 116.42 116.86 2kb0 h ASP 170 Ca -0.00 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2kb0 h ASP 170 Cb 0.67 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2kb0 h ASP 170 CO 0.00 0.66 -0.13 -0.08 -1.72 0.00 0.00 179.24 177.97 2kb0 h GLU 171 N 1.09 0.36 -0.26 3.56 4.81 -1.67 -2.49 114.58 119.98 2kb0 h GLU 171 Ca 0.30 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2kb0 h GLU 171 Cb -0.10 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2kb0 h GLU 171 CO -0.07 0.49 0.14 0.00 -0.73 0.00 0.00 179.01 178.84 2kb0 h ALA 172 N 1.53 1.76 -0.71 2.92 0.00 -0.87 -2.03 119.26 121.86 2kb0 h ALA 172 Ca 0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2kb0 h ALA 172 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2kb0 h ALA 172 CO 0.03 0.21 0.17 0.82 0.00 0.00 0.00 179.25 180.48 2kb0 h ILE 173 N 0.36 1.26 -0.86 0.00 2.04 -1.34 -2.78 117.51 116.18 2kb0 h ILE 173 Ca 0.09 -0.97 0.13 0.00 1.00 0.00 0.00 64.86 65.11 2kb0 h ILE 173 Cb 0.02 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 36.54 2kb0 h ILE 173 CO -0.02 0.37 0.48 0.25 0.00 0.00 0.00 178.15 179.23 2kb0 h LEU 174 N 1.07 0.63 -1.48 1.44 5.85 -1.42 0.10 115.31 121.50 2kb0 h LEU 174 Ca 0.22 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 2kb0 h LEU 174 Cb 0.37 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2kb0 h LEU 174 CO 0.00 0.31 0.15 0.00 -0.34 0.00 0.00 178.44 178.56 2kb0 h ALA 175 N 1.52 1.60 -0.83 1.25 0.00 -1.52 -2.56 119.26 118.73 2kb0 h ALA 175 Ca 0.45 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.37 2kb0 h ALA 175 Cb 0.54 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2kb0 h ALA 175 CO -0.31 0.32 0.46 0.00 0.00 0.00 0.00 179.25 179.72 2kb0 h ALA 176 N 1.67 1.19 -0.37 0.00 0.00 -0.96 0.61 119.26 121.40 2kb0 h ALA 176 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2kb0 h ALA 176 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2kb0 h ALA 176 CO -0.01 0.06 0.14 -0.07 0.00 0.00 0.00 179.25 179.36 2kb0 h LEU 177 N 0.75 0.48 0.00 0.00 3.38 -1.48 -3.46 115.31 114.98 2kb0 h LEU 177 Ca 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2kb0 h LEU 177 Cb 0.42 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kb0 h LEU 177 CO -0.27 0.45 0.00 -0.62 0.09 0.00 0.00 178.44 178.09