#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 0.78 -4.57 0.03 4.15 -2.00 -3.44 115.11 110.06 2kb0 h GLN 2 Ca 0.00 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.15 2kb0 h GLN 2 Cb 0.00 -0.16 -0.15 0.00 0.21 0.00 0.00 27.48 27.38 2kb0 h GLN 2 CO 0.00 0.56 -0.69 -0.08 -1.93 0.00 0.00 178.83 176.69 2kb0 s THR 3 N -5.57 0.59 -0.19 2.39 -1.32 -1.26 -4.42 115.64 105.86 2kb0 s THR 3 Ca -0.10 -1.91 -0.01 0.00 -1.21 0.00 0.00 61.69 58.46 2kb0 s THR 3 Cb 0.17 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.51 2kb0 s THR 3 CO 0.77 -0.90 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.53 2kb0 s ILE 4 N -3.69 2.77 -0.15 5.08 -1.09 -1.20 -5.04 121.20 117.87 2kb0 s ILE 4 Ca 0.11 -0.71 -0.18 0.00 -2.23 0.00 0.00 60.65 57.64 2kb0 s ILE 4 Cb 0.06 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 2kb0 s ILE 4 CO -0.06 0.48 0.50 -0.54 -1.23 0.00 0.00 174.94 174.09 2kb0 s LYS 5 N 1.29 4.29 -0.03 2.79 1.02 -1.26 -3.00 119.74 124.83 2kb0 s LYS 5 Ca 0.04 0.45 -0.00 0.00 0.02 0.00 0.00 55.97 56.47 2kb0 s LYS 5 Cb -0.14 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.72 2kb0 s LYS 5 CO -0.06 0.04 0.02 0.00 -0.92 0.00 0.00 175.35 174.43 2kb0 s VAL 7 N 1.21 3.23 -0.07 0.00 1.01 -1.20 -2.31 120.40 122.27 2kb0 s VAL 7 Ca -0.07 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2kb0 s VAL 7 Cb -0.13 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2kb0 s VAL 7 CO -0.02 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 2kb0 s VAL 8 N -0.46 2.50 -0.07 2.92 1.01 -1.20 -2.75 120.40 122.35 2kb0 s VAL 8 Ca 0.06 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 2kb0 s VAL 8 Cb -0.12 -1.96 0.04 0.00 0.00 0.00 0.00 36.38 34.33 2kb0 s VAL 8 CO 0.02 0.56 0.41 0.54 0.00 0.00 0.00 175.10 176.63 2kb0 s VAL 9 N -0.15 0.03 0.12 2.92 0.11 -1.17 -4.42 120.40 117.83 2kb0 s VAL 9 Ca -0.03 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 58.81 2kb0 s VAL 9 Cb -0.14 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 2kb0 s VAL 9 CO 0.04 -0.13 -0.08 -0.83 -3.33 0.00 0.00 175.10 170.77 2kb0 s GLY 10 N -0.78 0.88 -0.46 6.54 0.00 -1.26 -1.21 107.32 111.03 2kb0 s GLY 10 Ca -0.09 -1.39 -0.26 0.00 0.00 0.00 0.00 44.72 42.99 2kb0 s GLY 10 CO 0.04 -1.49 0.96 -0.35 0.00 0.00 0.00 173.10 172.26 2kb0 s ASP 11 N -3.04 6.53 -1.07 1.64 2.15 -0.98 -4.27 116.67 117.62 2kb0 s ASP 11 Ca 0.13 0.19 -0.21 0.00 0.43 0.00 0.00 52.55 53.09 2kb0 s ASP 11 Cb 0.04 -2.47 0.02 0.00 -0.30 0.00 0.00 42.92 40.21 2kb0 s ASP 11 CO -0.03 -1.07 0.68 0.61 -0.17 0.00 0.00 175.17 175.19 2kb0 n GLY 12 N 4.89 -1.02 3.65 2.66 0.00 -1.26 -4.84 105.19 109.27 2kb0 n GLY 12 Ca 0.07 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.34 3.60 0.20 4.61 0.00 -1.26 -4.92 121.76 120.66 2kb0 s ALA 13 Ca 0.33 -0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.28 2kb0 s ALA 13 Cb -0.17 -3.25 0.09 0.00 0.00 0.00 0.00 23.12 19.80 2kb0 s ALA 13 CO 0.93 -0.81 1.46 -0.39 0.00 0.00 0.00 175.76 176.94 2kb0 h VAL 14 N 5.34 1.57 -0.69 0.00 -1.51 -1.99 -3.23 116.25 115.74 2kb0 h VAL 14 Ca -0.26 -2.72 -0.44 0.00 -1.23 0.00 0.00 66.70 62.06 2kb0 h VAL 14 Cb 1.11 2.47 -0.26 0.00 -2.13 0.00 0.00 31.29 32.48 2kb0 h VAL 14 CO 0.85 0.78 0.05 0.61 -1.23 0.00 0.00 177.57 178.63 2kb0 n GLY 15 N 0.76 5.51 0.36 5.19 0.00 -1.26 -4.70 105.19 111.04 2kb0 n GLY 15 Ca -0.01 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.14 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 1.56 1.14 -0.75 1.61 3.64 -1.97 -2.30 116.57 119.50 2kb0 h LYS 16 Ca 0.41 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.67 2kb0 h LYS 16 Cb 1.54 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 2kb0 h LYS 16 CO 0.87 0.75 0.29 1.79 -2.27 0.00 0.00 179.45 180.88 2kb0 h THR 17 N 1.17 1.26 0.00 1.00 1.35 -1.89 -2.09 112.91 113.71 2kb0 h THR 17 Ca 0.32 -0.83 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 2kb0 h THR 17 Cb -0.13 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 66.67 2kb0 h THR 17 CO -0.07 0.33 -0.11 0.00 -0.25 0.00 0.00 175.52 175.42 2kb0 h LEU 19 N 0.00 0.98 -0.57 0.00 5.85 -1.13 -2.17 115.31 118.27 2kb0 h LEU 19 Ca -0.00 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 2kb0 h LEU 19 Cb 0.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2kb0 h LEU 19 CO 0.01 0.88 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.90 2kb0 h LEU 20 N 1.02 1.00 -0.67 2.25 3.38 -1.46 -2.97 115.31 117.85 2kb0 h LEU 20 Ca 0.24 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2kb0 h LEU 20 Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2kb0 h LEU 20 CO -0.02 1.08 0.34 0.40 0.09 0.00 0.00 178.44 180.32 2kb0 h ILE 21 N 0.90 1.22 -0.69 1.22 1.08 -1.42 -0.48 117.51 119.34 2kb0 h ILE 21 Ca 0.16 -0.61 0.07 0.00 -0.39 0.00 0.00 64.86 64.09 2kb0 h ILE 21 Cb 0.58 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 2kb0 h ILE 21 CO 0.03 0.25 0.46 -1.28 -0.69 0.00 0.00 178.15 176.92 2kb0 h SER 22 N 0.93 0.61 0.00 1.72 0.87 -1.25 0.24 113.55 116.67 2kb0 h SER 22 Ca 0.23 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2kb0 h SER 22 Cb 0.10 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2kb0 h SER 22 CO -0.03 0.40 -0.01 0.22 -0.53 0.00 0.00 176.83 176.88 2kb0 h TYR 23 N 0.70 0.00 -0.71 2.24 3.20 -1.31 -3.27 116.97 117.82 2kb0 h TYR 23 Ca 0.30 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.19 2kb0 h TYR 23 Cb 0.28 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 2kb0 h TYR 23 CO -0.00 0.98 0.47 1.79 -1.64 0.00 0.00 178.16 179.76 2kb0 h THR 24 N -1.00 1.16 0.00 1.81 1.35 -0.88 -3.43 112.91 111.91 2kb0 h THR 24 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2kb0 h THR 24 Cb 0.97 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2kb0 h THR 24 CO -0.00 0.17 0.00 0.35 -0.25 0.00 0.00 175.52 175.79 2kb0 n THR 25 N -4.44 0.00 -1.34 6.82 -2.24 0.81 -5.08 114.28 108.82 2kb0 n THR 25 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2kb0 n THR 25 Cb 0.07 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2kb0 n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2kb0 n ASN 26 N 0.00 0.00 -4.58 3.42 5.03 -1.23 -4.88 115.26 113.02 2kb0 n ASN 26 Ca 0.00 -0.62 -0.39 0.00 0.87 0.00 0.00 54.58 54.44 2kb0 n ASN 26 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.66 2kb0 n ASN 26 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2kb0 s LYS 27 N 0.00 3.87 -0.05 3.52 1.02 -1.26 -4.94 119.74 121.90 2kb0 s LYS 27 Ca 0.00 -0.24 -0.07 0.00 0.02 0.00 0.00 55.97 55.68 2kb0 s LYS 27 Cb 0.00 -3.70 -0.29 0.00 -0.52 0.00 0.00 37.83 33.33 2kb0 s LYS 27 CO 0.00 -0.29 0.65 0.35 -0.92 0.00 0.00 175.35 175.14 2kb0 h PHE 28 N 8.33 0.58 0.00 3.18 3.57 -1.91 -3.30 116.94 127.38 2kb0 h PHE 28 Ca -0.33 -0.42 -0.02 0.00 3.53 0.00 0.00 57.97 60.73 2kb0 h PHE 28 Cb 1.17 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 2kb0 h PHE 28 CO 0.74 1.60 -0.12 -1.35 -2.23 0.00 0.00 178.31 176.96 2kb0 h PRO 29 N 0.09 0.00 -6.37 6.41 0.11 -1.92 -3.46 132.00 126.86 2kb0 h PRO 29 Ca -0.34 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.33 2kb0 h PRO 29 Cb 2.07 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 33.00 2kb0 h PRO 29 CO 0.15 0.12 -0.68 0.43 -0.21 0.00 0.00 178.00 177.81 2kb0 n SER 30 N -3.98 0.23 -0.60 -2.05 7.64 -1.25 -4.65 113.62 108.97 2kb0 n SER 30 Ca -0.02 -0.90 0.47 0.00 1.01 0.00 0.00 58.87 59.43 2kb0 n SER 30 Cb 0.20 -1.13 0.77 0.00 -1.01 0.00 0.00 64.21 63.04 2kb0 n SER 30 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2kb0 h GLU 31 N -0.89 0.01 -5.08 1.43 5.08 -1.94 -3.33 114.58 109.87 2kb0 h GLU 31 Ca -0.46 -0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.25 2kb0 h GLU 31 Cb 0.99 -0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.90 2kb0 h GLU 31 CO 0.53 0.01 -0.86 1.52 -1.00 0.00 0.00 179.01 179.21 2kb0 s TYR 32 N -5.01 2.43 -0.42 4.33 1.13 -1.26 -5.10 117.35 113.45 2kb0 s TYR 32 Ca -0.06 -1.16 -0.15 0.00 -1.41 0.00 0.00 57.07 54.28 2kb0 s TYR 32 Cb 0.28 -1.67 0.03 0.00 -1.10 0.00 0.00 41.96 39.50 2kb0 s TYR 32 CO 0.87 -0.54 0.34 0.14 -2.51 0.00 0.00 175.55 173.85 2kb0 s VAL 33 N 0.79 5.23 0.96 -3.49 -7.23 -1.25 -5.07 120.40 110.33 2kb0 s VAL 33 Ca -0.09 -0.67 -0.13 0.00 -1.81 0.00 0.00 61.98 59.28 2kb0 s VAL 33 Cb -0.16 -3.98 0.04 0.00 0.56 0.00 0.00 36.38 32.85 2kb0 s VAL 33 CO -0.00 -0.37 0.39 -2.65 -0.31 0.00 0.00 175.10 172.16 2kb0 n PRO 34 N 5.24 -0.38 -2.79 4.82 -0.02 -1.26 -4.89 135.00 135.72 2kb0 n PRO 34 Ca -0.11 -0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 2kb0 n PRO 34 Cb 0.47 -1.85 0.01 0.00 -0.02 0.00 0.00 33.50 32.11 2kb0 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb0 n ALA 35 N -3.66 5.48 -3.05 3.55 0.00 -1.26 -4.95 120.51 116.62 2kb0 n ALA 35 Ca 0.06 -4.67 -0.13 0.00 0.00 0.00 0.00 53.44 48.71 2kb0 n ALA 35 Cb 0.54 -2.42 -0.14 0.00 0.00 0.00 0.00 19.45 17.43 2kb0 n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kb0 s VAL 36 N -2.65 -0.01 -0.29 0.00 0.11 -1.26 -5.02 120.40 111.28 2kb0 s VAL 36 Ca 0.35 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 2kb0 s VAL 36 Cb 0.09 -0.07 0.02 0.00 -1.53 0.00 0.00 36.38 34.90 2kb0 s VAL 36 CO 0.04 0.01 0.61 0.49 -3.33 0.00 0.00 175.10 172.92 2kb0 n PHE 37 N 3.26 0.01 -2.22 1.54 3.72 -1.26 -5.03 117.46 117.47 2kb0 n PHE 37 Ca -0.15 -0.03 -0.41 0.00 -0.05 0.00 0.00 57.45 56.81 2kb0 n PHE 37 Cb 0.58 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.09 2kb0 n PHE 37 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kb0 s ASP 38 N -0.25 6.92 0.91 4.37 1.01 -1.26 -4.99 116.67 123.38 2kb0 s ASP 38 Ca 0.03 2.55 -0.10 0.00 0.71 0.00 0.00 52.55 55.73 2kb0 s ASP 38 Cb 0.02 -2.64 0.14 0.00 1.01 0.00 0.00 42.92 41.45 2kb0 s ASP 38 CO 0.03 -0.43 1.13 0.20 0.21 0.00 0.00 175.17 176.31 2kb0 s ASN 39 N -0.52 3.06 -0.09 0.27 0.01 -1.26 -5.01 114.94 111.40 2kb0 s ASN 39 Ca 0.48 2.06 0.00 0.00 -0.71 0.00 0.00 52.86 54.69 2kb0 s ASN 39 Cb -0.37 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 38.73 2kb0 s ASN 39 CO 0.48 -2.99 -0.08 -0.31 -1.51 0.00 0.00 177.10 172.69 2kb0 s TYR 40 N -2.69 2.91 -0.20 2.20 2.02 -1.26 -5.06 117.35 115.27 2kb0 s TYR 40 Ca 0.66 -0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 57.15 2kb0 s TYR 40 Cb -0.22 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.54 2kb0 s TYR 40 CO 0.58 0.17 0.01 0.00 -1.57 0.00 0.00 175.55 174.74 2kb0 s ALA 41 N -0.40 3.10 -0.02 3.71 0.00 -1.26 -3.53 121.76 123.35 2kb0 s ALA 41 Ca 0.06 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.12 2kb0 s ALA 41 Cb -0.12 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 2kb0 s ALA 41 CO 0.02 -0.08 -0.15 0.08 0.00 0.00 0.00 175.76 175.63 2kb0 s VAL 42 N 0.88 1.21 0.23 0.00 1.01 -1.05 -5.05 120.40 117.63 2kb0 s VAL 42 Ca 0.01 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2kb0 s VAL 42 Cb -0.14 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 35.14 2kb0 s VAL 42 CO 0.02 0.35 0.65 0.42 0.00 0.00 0.00 175.10 176.53 2kb0 s THR 43 N -0.22 4.74 0.13 3.92 -4.23 -1.26 -1.42 115.64 117.30 2kb0 s THR 43 Ca 0.03 0.92 0.05 0.00 -1.18 0.00 0.00 61.69 61.51 2kb0 s THR 43 Cb -0.07 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 2kb0 s THR 43 CO 0.00 0.06 -0.12 0.68 -0.54 0.00 0.00 174.62 174.70 2kb0 s VAL 44 N -1.68 1.24 -0.02 2.29 -7.23 0.10 -4.82 120.40 110.27 2kb0 s VAL 44 Ca 0.45 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 2kb0 s VAL 44 Cb -0.13 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.16 2kb0 s VAL 44 CO 0.20 -0.57 -0.12 -0.04 -0.31 0.00 0.00 175.10 174.26 2kb0 s MET 45 N -3.12 1.16 0.10 4.82 -1.94 -1.26 0.13 119.30 119.19 2kb0 s MET 45 Ca 0.12 -0.42 0.06 0.00 -1.71 0.00 0.00 55.69 53.73 2kb0 s MET 45 Cb -0.02 -1.08 -0.03 0.00 2.01 0.00 0.00 34.83 35.71 2kb0 s MET 45 CO 0.02 0.20 -0.14 0.96 -0.01 0.00 0.00 175.02 176.04 2kb0 s ILE 46 N -0.01 1.25 -0.27 2.53 -4.36 -0.55 -4.70 121.20 115.09 2kb0 s ILE 46 Ca -0.00 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 2kb0 s ILE 46 Cb -0.08 -1.36 0.00 0.00 1.25 0.00 0.00 42.46 42.27 2kb0 s ILE 46 CO 0.00 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 175.46 2kb0 n GLY 47 N 0.83 0.25 1.52 6.27 0.00 -1.26 0.34 105.19 113.13 2kb0 n GLY 47 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2kb0 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kb0 n GLY 48 N -0.02 0.57 3.74 -0.02 0.00 -1.26 -5.05 105.19 103.15 2kb0 n GLY 48 Ca -0.03 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 2kb0 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb0 s GLU 49 N -0.89 2.90 0.09 1.61 2.02 1.03 -5.08 118.70 120.39 2kb0 s GLU 49 Ca 0.00 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 2kb0 s GLU 49 Cb 0.00 -2.75 -0.06 0.00 0.10 0.00 0.00 34.13 31.42 2kb0 s GLU 49 CO 0.00 0.61 1.20 -1.25 0.02 0.00 0.00 175.26 175.85 2kb0 s PRO 50 N -1.87 4.45 0.07 0.39 0.04 -1.26 -1.48 135.00 135.34 2kb0 s PRO 50 Ca 0.23 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 2kb0 s PRO 50 Cb -0.12 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 2kb0 s PRO 50 CO 0.15 -0.21 0.07 0.71 0.04 0.00 0.00 177.00 177.75 2kb0 s TYR 51 N 0.78 0.36 -0.04 0.56 2.02 0.12 -4.93 117.35 116.22 2kb0 s TYR 51 Ca 0.57 -0.86 0.05 0.00 -0.37 0.00 0.00 57.07 56.47 2kb0 s TYR 51 Cb -0.30 -0.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.99 2kb0 s TYR 51 CO 0.31 -0.46 -0.20 0.99 -1.57 0.00 0.00 175.55 174.62 2kb0 s THR 52 N -3.90 2.53 -0.16 -0.71 2.01 -1.26 -0.72 115.64 113.43 2kb0 s THR 52 Ca 0.06 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.16 2kb0 s THR 52 Cb 0.07 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.65 2kb0 s THR 52 CO -0.10 0.58 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.98 2kb0 s LEU 53 N -0.55 2.11 -0.21 4.42 2.96 -0.50 -3.28 118.68 123.63 2kb0 s LEU 53 Ca 0.08 -0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 2kb0 s LEU 53 Cb -0.11 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2kb0 s LEU 53 CO 0.01 0.03 0.05 -0.83 -1.32 0.00 0.00 176.35 174.29 2kb0 s GLY 54 N 1.10 1.80 -0.25 7.98 0.00 -1.16 -2.53 107.32 114.26 2kb0 s GLY 54 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 44.72 43.66 2kb0 s GLY 54 CO -0.08 0.30 0.13 -2.27 0.00 0.00 0.00 173.10 171.17 2kb0 s LEU 55 N 1.04 3.83 -0.16 0.66 2.96 -1.23 -3.47 118.68 122.30 2kb0 s LEU 55 Ca 0.04 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2kb0 s LEU 55 Cb -0.14 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2kb0 s LEU 55 CO 0.03 0.01 -0.02 0.12 -1.32 0.00 0.00 176.35 175.17 2kb0 s PHE 56 N 1.39 3.06 0.09 5.38 5.36 -0.98 -4.30 117.98 127.98 2kb0 s PHE 56 Ca 0.06 -0.26 0.09 0.00 -0.96 0.00 0.00 56.93 55.85 2kb0 s PHE 56 Cb -0.15 -1.99 -0.04 0.00 -0.34 0.00 0.00 43.02 40.51 2kb0 s PHE 56 CO 0.06 -0.03 -0.20 0.34 -1.46 0.00 0.00 175.22 173.93 2kb0 s ASP 57 N 0.44 3.74 0.77 6.13 2.15 -1.26 -3.23 116.67 125.41 2kb0 s ASP 57 Ca -0.02 -0.54 -0.11 0.00 0.43 0.00 0.00 52.55 52.30 2kb0 s ASP 57 Cb -0.14 -0.51 0.06 0.00 -0.30 0.00 0.00 42.92 42.03 2kb0 s ASP 57 CO 0.02 0.21 1.10 0.42 -0.17 0.00 0.00 175.17 176.76 2kb0 s THR 58 N -1.04 3.16 0.09 1.71 -4.23 -1.26 -5.02 115.64 109.05 2kb0 s THR 58 Ca 0.16 0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 61.03 2kb0 s THR 58 Cb -0.10 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 2kb0 s THR 58 CO 0.08 -0.47 0.09 0.00 -0.54 0.00 0.00 174.62 173.78 2kb0 s ALA 59 N -2.78 0.28 0.06 3.99 0.00 -1.26 -5.06 121.76 116.99 2kb0 s ALA 59 Ca 0.63 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 2kb0 s ALA 59 Cb -0.18 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 2kb0 s ALA 59 CO 0.54 -0.47 1.20 0.78 0.00 0.00 0.00 175.76 177.81 2kb0 h GLY 60 N 2.90 -1.94 -4.24 0.00 0.00 -2.02 -3.47 103.07 94.30 2kb0 h GLY 60 Ca -0.34 0.99 0.00 0.00 0.00 0.00 0.00 47.33 47.98 2kb0 h GLY 60 CO 0.60 -0.61 -0.99 -0.18 0.00 0.00 0.00 176.54 175.36 2kb0 n GLN 61 N -3.81 -5.33 0.00 4.80 7.27 -1.26 -5.05 117.38 114.00 2kb0 n GLN 61 Ca 0.00 3.86 0.00 0.00 0.07 0.00 0.00 57.00 60.94 2kb0 n GLN 61 Cb 0.10 -4.27 0.00 0.00 2.41 0.00 0.00 30.24 28.48 2kb0 n GLN 61 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2kb0 n GLU 62 N 0.35 0.00 -0.03 3.69 2.13 -1.26 -4.94 120.64 120.58 2kb0 n GLU 62 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 2kb0 n GLU 62 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.73 2kb0 n GLU 62 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2kb0 n ASP 63 N -0.15 0.57 0.00 4.31 5.68 -1.26 -3.75 116.55 121.95 2kb0 n ASP 63 Ca 0.00 -2.02 0.07 0.00 -0.50 0.00 0.00 54.79 52.34 2kb0 n ASP 63 Cb 0.00 -0.19 0.39 0.00 -1.14 0.00 0.00 41.12 40.18 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 -0.24 0.00 -3.55 2.11 4.02 -1.26 -4.84 117.16 113.40 2kb0 n TYR 64 Ca 0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.70 2kb0 n TYR 64 Cb 0.12 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.52 2kb0 n TYR 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2kb0 n ASP 65 N -0.79 -2.87 -2.70 7.72 8.00 -1.25 -3.79 116.55 120.88 2kb0 n ASP 65 Ca 0.10 -0.66 -0.14 0.00 0.71 0.00 0.00 54.79 54.81 2kb0 n ASP 65 Cb 0.05 -4.81 0.01 0.00 -0.02 0.00 0.00 41.12 36.34 2kb0 n ASP 65 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kb0 n ARG 66 N -4.37 -0.76 -2.28 -1.24 5.12 -1.26 -4.75 116.66 107.12 2kb0 n ARG 66 Ca -0.21 0.80 -0.42 0.00 -1.93 0.00 0.00 57.85 56.08 2kb0 n ARG 66 Cb 0.64 -1.08 -0.03 0.00 -1.16 0.00 0.00 32.46 30.84 2kb0 n ARG 66 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2kb0 s LEU 67 N -1.25 4.28 -0.07 0.55 2.96 -1.25 -4.93 118.68 118.98 2kb0 s LEU 67 Ca 0.13 1.99 -0.15 0.00 -0.22 0.00 0.00 54.13 55.88 2kb0 s LEU 67 Cb -0.01 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 43.01 2kb0 s LEU 67 CO 0.30 -0.73 0.59 0.03 -1.32 0.00 0.00 176.35 175.22 2kb0 h ARG 68 N 8.06 -0.23 -1.58 1.98 3.08 -1.95 -3.28 114.38 120.47 2kb0 h ARG 68 Ca -0.35 0.02 0.46 0.00 0.07 0.00 0.00 59.98 60.17 2kb0 h ARG 68 Cb 1.16 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.20 2kb0 h ARG 68 CO 0.92 0.08 1.34 -1.35 -1.07 0.00 0.00 179.97 179.89 2kb0 h PRO 69 N -0.98 0.00 -2.29 0.04 0.11 -2.01 -0.07 132.00 126.80 2kb0 h PRO 69 Ca -0.02 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.45 2kb0 h PRO 69 Cb 0.42 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.14 2kb0 h PRO 69 CO 0.04 0.00 -0.34 1.28 -0.21 0.00 0.00 178.00 178.77 2kb0 n LEU 70 N -3.64 4.86 -3.98 2.35 4.77 -1.23 -5.02 117.00 115.11 2kb0 n LEU 70 Ca 0.35 -5.59 -0.14 0.00 -0.03 0.00 0.00 56.01 50.61 2kb0 n LEU 70 Cb 1.81 -0.69 -0.13 0.00 -2.33 0.00 0.00 43.42 42.08 2kb0 n LEU 70 CO 0.36 2.24 -0.39 -0.44 -1.33 0.00 0.00 177.39 177.83 2kb0 s SER 71 N -2.95 0.57 -0.42 -1.43 0.01 -0.04 -4.87 113.70 104.57 2kb0 s SER 71 Ca 0.45 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.51 2kb0 s SER 71 Cb 0.24 -0.01 0.20 0.00 0.21 0.00 0.00 66.02 66.66 2kb0 s SER 71 CO -0.11 -0.06 0.42 -1.22 0.41 0.00 0.00 173.24 172.68 2kb0 n TYR 72 N 2.38 -0.45 -0.12 2.43 4.01 -1.26 -4.97 117.16 119.18 2kb0 n TYR 72 Ca -0.17 -3.46 0.12 0.00 -0.16 0.00 0.00 57.90 54.24 2kb0 n TYR 72 Cb 0.57 -0.01 0.49 0.00 -0.31 0.00 0.00 39.34 40.08 2kb0 n TYR 72 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2kb0 h PRO 73 N 5.02 0.43 -5.46 -0.72 0.11 -2.00 -3.39 132.00 125.98 2kb0 h PRO 73 Ca 0.19 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 65.62 2kb0 h PRO 73 Cb 0.89 -0.10 -0.26 0.00 0.11 0.00 0.00 31.00 31.64 2kb0 h PRO 73 CO 0.43 0.28 -0.76 -1.14 -0.21 0.00 0.00 178.00 176.60 2kb0 s GLN 74 N -5.42 3.27 0.05 1.05 0.74 -1.26 -5.06 119.66 113.04 2kb0 s GLN 74 Ca -0.08 -0.68 0.09 0.00 0.05 0.00 0.00 55.36 54.74 2kb0 s GLN 74 Cb 0.20 -2.61 -0.03 0.00 1.10 0.00 0.00 33.01 31.67 2kb0 s GLN 74 CO 0.76 0.28 -0.25 0.95 -0.55 0.00 0.00 175.29 176.47 2kb0 s THR 75 N 0.19 2.28 0.27 -0.34 -4.23 -1.26 -5.02 115.64 107.52 2kb0 s THR 75 Ca -0.07 -1.39 0.03 0.00 -1.18 0.00 0.00 61.69 59.08 2kb0 s THR 75 Cb -0.15 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.81 2kb0 s THR 75 CO 0.05 0.34 1.67 0.44 -0.54 0.00 0.00 174.62 176.57 2kb0 h ASP 76 N 4.66 0.40 -3.62 3.99 3.32 -1.99 -3.44 116.42 119.73 2kb0 h ASP 76 Ca -0.47 -0.16 -0.32 0.00 0.02 0.00 0.00 57.03 56.09 2kb0 h ASP 76 Cb 1.15 -0.11 -0.32 0.00 0.22 0.00 0.00 39.33 40.27 2kb0 h ASP 76 CO 0.44 0.75 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.27 2kb0 s VAL 77 N -4.23 0.21 -0.22 -1.35 1.01 -1.23 -4.54 120.40 110.05 2kb0 s VAL 77 Ca -0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 2kb0 s VAL 77 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 2kb0 s VAL 77 CO 0.79 0.12 -0.03 0.12 0.00 0.00 0.00 175.10 176.10 2kb0 s PHE 78 N 0.60 2.98 -0.06 5.22 5.36 -1.25 -3.26 117.98 127.56 2kb0 s PHE 78 Ca -0.06 -0.77 0.02 0.00 -0.96 0.00 0.00 56.93 55.17 2kb0 s PHE 78 Cb -0.09 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 2kb0 s PHE 78 CO -0.01 -0.45 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.68 2kb0 s LEU 79 N 1.34 2.89 -0.05 6.12 1.43 -1.11 -3.39 118.68 125.91 2kb0 s LEU 79 Ca 0.04 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2kb0 s LEU 79 Cb -0.14 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2kb0 s LEU 79 CO -0.01 0.34 -0.22 -0.69 0.23 0.00 0.00 176.35 176.00 2kb0 s VAL 80 N -0.67 1.80 -0.08 -1.59 1.01 -1.22 -3.04 120.40 116.61 2kb0 s VAL 80 Ca 0.10 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2kb0 s VAL 80 Cb -0.11 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2kb0 s VAL 80 CO 0.01 0.51 -0.13 0.00 0.00 0.00 0.00 175.10 175.49 2kb0 s PHE 82 N 0.80 0.67 0.08 0.00 -0.71 -1.25 -2.33 117.98 115.24 2kb0 s PHE 82 Ca -0.12 -1.12 -0.14 0.00 -1.04 0.00 0.00 56.93 54.51 2kb0 s PHE 82 Cb -0.15 -0.41 -0.06 0.00 -1.21 0.00 0.00 43.02 41.19 2kb0 s PHE 82 CO 0.02 -0.47 0.47 0.45 -1.34 0.00 0.00 175.22 174.35 2kb0 s SER 83 N -2.98 6.81 0.00 1.98 0.15 -1.26 -2.70 113.70 115.69 2kb0 s SER 83 Ca 0.16 0.99 0.22 0.00 0.70 0.00 0.00 55.95 58.03 2kb0 s SER 83 Cb 0.07 -2.26 -0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2kb0 s SER 83 CO -0.04 0.21 1.09 0.55 1.20 0.00 0.00 173.24 176.25 2kb0 n VAL 84 N 1.25 0.00 0.42 4.45 3.14 -1.24 -4.16 118.33 122.20 2kb0 n VAL 84 Ca -0.09 -0.28 0.12 0.00 -2.96 0.00 0.00 64.34 61.13 2kb0 n VAL 84 Cb 0.52 1.27 0.09 0.00 -1.06 0.00 0.00 33.84 34.66 2kb0 n VAL 84 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 2kb0 h VAL 85 N 2.54 0.00 -3.00 1.55 -1.51 -1.89 -3.22 116.25 110.72 2kb0 h VAL 85 Ca 0.00 -0.65 -0.63 0.00 -1.23 0.00 0.00 66.70 64.20 2kb0 h VAL 85 Cb 0.76 1.16 -0.09 0.00 -2.13 0.00 0.00 31.29 30.99 2kb0 h VAL 85 CO 0.00 0.00 -0.42 -0.44 -1.23 0.00 0.00 177.57 175.48 2kb0 s SER 86 N -4.54 6.39 -0.08 4.19 0.01 -1.26 -4.73 113.70 113.68 2kb0 s SER 86 Ca 0.04 0.46 -0.17 0.00 1.31 0.00 0.00 55.95 57.59 2kb0 s SER 86 Cb 0.12 -2.12 -0.13 0.00 0.21 0.00 0.00 66.02 64.11 2kb0 s SER 86 CO 0.76 0.27 0.62 1.55 0.41 0.00 0.00 173.24 176.84 2kb0 h PRO 87 N 5.80 -0.16 -0.72 12.44 0.13 -1.88 -3.24 132.00 144.37 2kb0 h PRO 87 Ca -0.48 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.79 2kb0 h PRO 87 Cb 1.19 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2kb0 h PRO 87 CO 0.67 0.23 0.48 0.77 -0.23 0.00 0.00 178.00 179.92 2kb0 h SER 88 N -0.95 0.42 0.26 1.44 0.02 -1.99 0.40 113.55 113.15 2kb0 h SER 88 Ca -0.02 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2kb0 h SER 88 Cb 0.47 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2kb0 h SER 88 CO 0.03 0.23 -0.09 0.28 -1.14 0.00 0.00 176.83 176.14 2kb0 h SER 89 N 0.46 0.00 0.01 3.07 0.02 -1.91 -0.72 113.55 114.48 2kb0 h SER 89 Ca 0.34 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2kb0 h SER 89 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2kb0 h SER 89 CO -0.11 0.09 -0.00 0.15 -1.14 0.00 0.00 176.83 175.81 2kb0 h PHE 90 N 0.00 -0.01 -0.39 3.45 3.57 -0.22 -3.15 116.94 120.19 2kb0 h PHE 90 Ca -0.00 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2kb0 h PHE 90 Cb 0.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2kb0 h PHE 90 CO 0.00 0.50 -0.19 0.93 -2.23 0.00 0.00 178.31 177.32 2kb0 h GLU 91 N -0.53 0.75 -0.86 1.11 5.08 -1.37 -2.76 114.58 116.00 2kb0 h GLU 91 Ca -0.00 -0.28 0.19 0.00 -1.00 0.00 0.00 59.36 58.27 2kb0 h GLU 91 Cb 0.52 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 2kb0 h GLU 91 CO 0.00 0.88 0.57 -0.91 -1.00 0.00 0.00 179.01 178.56 2kb0 h ASN 92 N 0.66 0.37 -0.28 1.42 2.35 -1.15 0.52 115.58 119.48 2kb0 h ASN 92 Ca 0.10 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2kb0 h ASN 92 Cb 0.68 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2kb0 h ASN 92 CO 0.05 0.16 0.02 0.58 -1.65 0.00 0.00 177.43 176.59 2kb0 h VAL 93 N 0.38 1.20 0.09 2.81 2.07 -1.44 -1.17 116.25 120.18 2kb0 h VAL 93 Ca 0.44 -0.80 -0.35 0.00 0.82 0.00 0.00 66.70 66.81 2kb0 h VAL 93 Cb 1.12 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2kb0 h VAL 93 CO -0.15 0.28 -1.98 1.17 0.02 0.00 0.00 177.57 176.91 2kb0 n LYS 94 N -4.28 0.73 -0.03 1.57 4.81 0.62 -1.50 118.16 120.08 2kb0 n LYS 94 Ca 0.02 0.26 -0.06 0.00 -0.87 0.00 0.00 58.31 57.66 2kb0 n LYS 94 Cb 0.24 -1.71 0.14 0.00 0.02 0.00 0.00 35.03 33.72 2kb0 n LYS 94 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2kb0 h GLU 95 N 0.05 0.61 0.00 1.64 4.81 -0.08 -3.30 114.58 118.32 2kb0 h GLU 95 Ca -0.41 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 58.45 2kb0 h GLU 95 Cb 2.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.37 2kb0 h GLU 95 CO 0.07 0.82 -1.23 1.17 -0.73 0.00 0.00 179.01 179.12 2kb0 n LYS 96 N -4.10 0.20 -0.06 1.92 4.81 -0.45 -4.70 118.16 115.79 2kb0 n LYS 96 Ca -0.00 0.08 -0.08 0.00 -0.87 0.00 0.00 58.31 57.44 2kb0 n LYS 96 Cb 0.44 -0.83 0.10 0.00 0.02 0.00 0.00 35.03 34.75 2kb0 n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2kb0 h TRP 97 N -0.34 0.81 0.12 5.64 4.06 -1.49 -1.92 115.95 122.84 2kb0 h TRP 97 Ca -0.18 -0.20 -0.01 0.00 2.06 0.00 0.00 58.89 60.56 2kb0 h TRP 97 Cb 0.99 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 2kb0 h TRP 97 CO -0.06 0.91 -0.06 0.28 -3.56 0.00 0.00 178.44 175.95 2kb0 h VAL 98 N 0.61 0.97 -0.08 1.49 2.07 -1.34 -2.14 116.25 117.83 2kb0 h VAL 98 Ca 0.08 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 2kb0 h VAL 98 Cb 0.78 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2kb0 h VAL 98 CO 0.06 0.09 -0.55 1.55 0.02 0.00 0.00 177.57 178.74 2kb0 h PRO 99 N -0.33 0.52 -0.02 1.57 0.13 -1.73 -3.28 132.00 128.86 2kb0 h PRO 99 Ca -0.02 -0.45 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2kb0 h PRO 99 Cb 0.27 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 2kb0 h PRO 99 CO 0.03 1.08 -0.23 0.93 -0.23 0.00 0.00 178.00 179.58 2kb0 h GLU 100 N 0.11 0.03 0.00 0.86 5.08 -1.42 -2.31 114.58 116.93 2kb0 h GLU 100 Ca -0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2kb0 h GLU 100 Cb 1.21 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kb0 h GLU 100 CO 0.11 0.26 -0.04 0.97 -1.00 0.00 0.00 179.01 179.31 2kb0 h ILE 101 N 0.03 0.54 -0.82 3.13 6.09 -1.44 -1.84 117.51 123.20 2kb0 h ILE 101 Ca 0.00 -0.19 0.11 0.00 -1.37 0.00 0.00 64.86 63.41 2kb0 h ILE 101 Cb 0.43 1.12 -0.06 0.00 0.47 0.00 0.00 36.82 38.78 2kb0 h ILE 101 CO 0.03 0.04 0.53 0.00 -3.07 0.00 0.00 178.15 175.68 2kb0 h THR 102 N 0.00 0.91 -0.89 2.19 1.03 -1.55 0.60 112.91 115.20 2kb0 h THR 102 Ca -0.00 -0.24 0.23 0.00 -0.01 0.00 0.00 66.41 66.38 2kb0 h THR 102 Cb 0.12 0.15 -0.05 0.00 -1.07 0.00 0.00 68.15 67.29 2kb0 h THR 102 CO 0.01 0.13 0.61 0.45 -0.01 0.00 0.00 175.52 176.70 2kb0 h HIS 103 N 0.71 0.32 -0.01 0.00 3.86 -1.51 0.75 115.15 119.27 2kb0 h HIS 103 Ca 0.39 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2kb0 h HIS 103 Cb 0.53 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.90 2kb0 h HIS 103 CO -0.00 0.08 -0.40 0.72 0.86 0.00 0.00 177.93 179.19 2kb0 n HIS 104 N -4.42 0.00 -1.15 2.45 -0.00 0.17 -5.06 115.22 107.21 2kb0 n HIS 104 Ca 0.19 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.03 2kb0 n HIS 104 Cb 0.80 -0.10 -0.05 0.00 -0.00 0.00 0.00 29.99 30.64 2kb0 n HIS 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb0 n PRO 106 N -3.62 0.96 -0.12 0.00 -0.04 -1.26 -4.34 135.00 126.59 2kb0 n PRO 106 Ca -0.03 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 2kb0 n PRO 106 Cb 0.60 -1.20 0.46 0.00 -0.04 0.00 0.00 33.50 33.32 2kb0 n PRO 106 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2kb0 h LYS 107 N 0.07 0.50 -6.23 0.54 1.57 -1.99 -3.42 116.57 107.61 2kb0 h LYS 107 Ca 0.00 -0.03 -0.58 0.00 -1.87 0.00 0.00 60.65 58.17 2kb0 h LYS 107 Cb 0.77 -0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.85 2kb0 h LYS 107 CO 0.00 0.33 -0.70 -0.08 -0.57 0.00 0.00 179.45 178.43 2kb0 s THR 108 N -5.48 3.04 0.55 -0.16 -1.32 -1.26 -5.11 115.64 105.90 2kb0 s THR 108 Ca -0.08 -2.10 -0.21 0.00 -1.21 0.00 0.00 61.69 58.09 2kb0 s THR 108 Cb 0.20 -2.61 -0.05 0.00 -1.51 0.00 0.00 72.50 68.53 2kb0 s THR 108 CO 0.76 -0.37 1.28 -2.16 -2.21 0.00 0.00 174.62 171.92 2kb0 s PRO 109 N -3.55 3.17 -0.18 7.08 0.04 -1.26 -4.97 135.00 135.33 2kb0 s PRO 109 Ca 0.30 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.35 2kb0 s PRO 109 Cb -0.06 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2kb0 s PRO 109 CO 0.18 -1.10 -0.05 0.12 0.04 0.00 0.00 177.00 176.18 2kb0 s PHE 110 N -1.42 2.97 -0.13 0.56 5.36 -1.26 -3.89 117.98 120.17 2kb0 s PHE 110 Ca 0.72 -0.57 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 2kb0 s PHE 110 Cb -0.36 -2.01 -0.00 0.00 -0.34 0.00 0.00 43.02 40.31 2kb0 s PHE 110 CO 0.41 -0.25 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.23 2kb0 s LEU 111 N 0.81 2.41 -0.29 6.12 1.43 -1.22 -2.08 118.68 125.86 2kb0 s LEU 111 Ca -0.01 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.54 2kb0 s LEU 111 Cb -0.15 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2kb0 s LEU 111 CO 0.02 0.13 0.10 -0.22 0.23 0.00 0.00 176.35 176.61 2kb0 s LEU 112 N 0.53 3.84 -0.09 1.79 2.96 -1.19 -3.40 118.68 123.11 2kb0 s LEU 112 Ca -0.11 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.29 2kb0 s LEU 112 Cb -0.16 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 2kb0 s LEU 112 CO 0.04 -0.15 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.12 2kb0 s VAL 113 N 1.57 3.29 -0.28 1.68 1.01 -1.16 -2.28 120.40 124.22 2kb0 s VAL 113 Ca 0.04 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 2kb0 s VAL 113 Cb -0.17 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2kb0 s VAL 113 CO 0.04 0.56 0.41 -0.83 0.00 0.00 0.00 175.10 175.29 2kb0 s GLY 114 N -0.34 1.87 0.10 4.51 0.00 -0.45 -3.94 107.32 109.07 2kb0 s GLY 114 Ca 0.04 -0.83 0.10 0.00 0.00 0.00 0.00 44.72 44.02 2kb0 s GLY 114 CO 0.02 1.06 -0.24 -1.59 0.00 0.00 0.00 173.10 172.36 2kb0 s THR 115 N 2.15 2.45 0.00 0.90 2.01 -1.10 0.09 115.64 122.14 2kb0 s THR 115 Ca 0.16 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.62 2kb0 s THR 115 Cb -0.16 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.29 2kb0 s THR 115 CO 0.10 0.19 0.00 1.67 -0.69 0.00 0.00 174.62 175.89 2kb0 n GLN 116 N 1.16 0.00 0.00 4.92 7.27 -1.22 -3.65 117.38 125.85 2kb0 n GLN 116 Ca -0.17 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.27 2kb0 n GLN 116 Cb 0.53 -3.07 0.00 0.00 2.41 0.00 0.00 30.24 30.10 2kb0 n GLN 116 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 2kb0 n ILE 117 N -2.78 0.00 0.00 1.69 -5.35 -1.25 -3.50 119.36 108.17 2kb0 n ILE 117 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2kb0 n ILE 117 Cb 0.00 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 2kb0 n ILE 117 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kb0 n ASP 118 N 0.00 0.00 -0.19 7.28 -0.08 -1.26 -3.95 116.55 118.36 2kb0 n ASP 118 Ca 0.00 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.46 2kb0 n ASP 118 Cb 0.00 0.00 0.54 0.00 2.34 0.00 0.00 41.12 44.00 2kb0 n ASP 118 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2kb0 h LEU 119 N 0.00 0.34 -1.17 -2.67 5.85 -2.00 1.45 115.31 117.11 2kb0 h LEU 119 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2kb0 h LEU 119 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2kb0 h LEU 119 CO 0.00 0.15 0.22 0.08 -0.34 0.00 0.00 178.44 178.55 2kb0 h ARG 120 N 0.35 0.00 -2.16 1.25 0.11 -1.72 -0.69 114.38 111.52 2kb0 h ARG 120 Ca 0.41 0.00 -0.72 0.00 0.10 0.00 0.00 59.98 59.77 2kb0 h ARG 120 Cb 1.07 0.00 -0.33 0.00 1.11 0.00 0.00 29.97 31.82 2kb0 h ARG 120 CO -0.13 0.00 0.36 -0.25 0.10 0.00 0.00 179.97 180.05 2kb0 n ASP 121 N -2.20 6.26 -3.64 0.08 8.00 0.50 -4.90 116.55 120.64 2kb0 n ASP 121 Ca -0.01 -3.71 -0.27 0.00 0.71 0.00 0.00 54.79 51.50 2kb0 n ASP 121 Cb 0.24 -0.90 -0.16 0.00 -0.02 0.00 0.00 41.12 40.28 2kb0 n ASP 121 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kb0 s ASP 122 N -2.17 2.81 0.33 -2.24 1.11 -0.27 -5.02 116.67 111.23 2kb0 s ASP 122 Ca 0.45 -0.85 0.12 0.00 0.18 0.00 0.00 52.55 52.45 2kb0 s ASP 122 Cb 0.27 -0.40 1.00 0.00 1.07 0.00 0.00 42.92 44.85 2kb0 s ASP 122 CO -0.18 -0.35 1.70 -0.65 1.18 0.00 0.00 175.17 176.86 2kb0 h PRO 123 N 8.34 0.44 -0.88 8.23 0.11 -1.91 0.19 132.00 146.52 2kb0 h PRO 123 Ca -0.16 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.96 2kb0 h PRO 123 Cb 1.11 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 2kb0 h PRO 123 CO 0.34 0.29 0.57 0.77 -0.21 0.00 0.00 178.00 179.76 2kb0 h SER 124 N 0.45 0.95 -0.04 -2.05 0.02 -1.96 0.50 113.55 111.43 2kb0 h SER 124 Ca 0.69 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.61 2kb0 h SER 124 Cb 1.47 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 2kb0 h SER 124 CO -0.53 0.65 -0.05 0.74 -1.14 0.00 0.00 176.83 176.50 2kb0 h THR 125 N 1.11 1.41 -0.82 -2.27 2.02 -1.01 -2.53 112.91 110.83 2kb0 h THR 125 Ca 0.35 -1.30 0.13 0.00 0.77 0.00 0.00 66.41 66.37 2kb0 h THR 125 Cb -0.00 2.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 2kb0 h THR 125 CO -0.12 0.35 0.53 0.40 0.37 0.00 0.00 175.52 177.06 2kb0 h ILE 126 N -0.40 0.85 -0.18 3.11 2.04 -0.76 -0.98 117.51 121.19 2kb0 h ILE 126 Ca 0.00 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 2kb0 h ILE 126 Cb 0.59 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2kb0 h ILE 126 CO 0.01 0.11 0.01 -0.08 0.00 0.00 0.00 178.15 178.20 2kb0 h GLU 127 N 0.61 0.32 -0.90 2.37 4.81 0.14 0.25 114.58 122.18 2kb0 h GLU 127 Ca 0.40 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 2kb0 h GLU 127 Cb 0.68 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 2kb0 h GLU 127 CO -0.16 0.51 0.59 0.87 -0.73 0.00 0.00 179.01 180.10 2kb0 h LYS 128 N 0.08 1.11 -0.02 1.92 1.57 -0.78 -1.47 116.57 118.98 2kb0 h LYS 128 Ca 0.05 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 2kb0 h LYS 128 Cb 0.36 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2kb0 h LYS 128 CO 0.01 0.74 -0.84 -0.07 -0.57 0.00 0.00 179.45 178.71 2kb0 h LEU 129 N 1.14 0.36 -0.89 2.94 3.38 -1.09 -3.21 115.31 117.94 2kb0 h LEU 129 Ca 0.35 -0.27 0.14 0.00 0.09 0.00 0.00 57.88 58.19 2kb0 h LEU 129 Cb -0.01 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.54 2kb0 h LEU 129 CO -0.10 1.05 0.50 0.00 0.09 0.00 0.00 178.44 179.97 2kb0 h ALA 130 N 0.93 1.35 -0.72 1.53 0.00 0.59 0.19 119.26 123.13 2kb0 h ALA 130 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kb0 h ALA 130 Cb 1.45 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2kb0 h ALA 130 CO 0.14 -0.00 0.47 0.87 0.00 0.00 0.00 179.25 180.72 2kb0 h LYS 131 N 0.73 0.96 -0.20 0.00 1.57 -1.50 -0.22 116.57 117.90 2kb0 h LYS 131 Ca 0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2kb0 h LYS 131 Cb 0.61 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2kb0 h LYS 131 CO -0.33 0.64 0.00 0.09 -0.57 0.00 0.00 179.45 179.28 2kb0 n ASN 132 N -4.42 1.86 -3.89 0.86 3.02 0.35 -4.92 115.26 108.12 2kb0 n ASN 132 Ca 0.08 -1.75 -0.31 0.00 -0.03 0.00 0.00 54.58 52.57 2kb0 n ASN 132 Cb 0.04 -0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.10 2kb0 n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2kb0 n LYS 133 N 0.45 -4.77 -0.13 3.52 5.02 0.41 -4.86 118.16 117.80 2kb0 n LYS 133 Ca 0.16 0.55 -0.25 0.00 -2.02 0.00 0.00 58.31 56.75 2kb0 n LYS 133 Cb 0.36 -5.39 -0.09 0.00 -0.02 0.00 0.00 35.03 29.89 2kb0 n LYS 133 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kb0 n GLN 134 N -4.49 0.57 -0.93 1.97 1.13 -0.98 -5.02 117.38 109.64 2kb0 n GLN 134 Ca 0.04 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 2kb0 n GLN 134 Cb 0.52 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.37 2kb0 n GLN 134 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kb0 n LYS 135 N -4.31 -2.53 -1.90 -1.09 5.02 -1.26 -4.91 118.16 107.18 2kb0 n LYS 135 Ca -0.44 1.93 -0.35 0.00 -2.02 0.00 0.00 58.31 57.43 2kb0 n LYS 135 Cb 0.79 -2.31 0.04 0.00 -0.02 0.00 0.00 35.03 33.52 2kb0 n LYS 135 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kb0 s PRO 136 N -4.75 2.88 0.02 1.97 0.04 -1.26 -4.81 135.00 129.08 2kb0 s PRO 136 Ca 0.00 1.63 -0.13 0.00 0.04 0.00 0.00 61.00 62.53 2kb0 s PRO 136 Cb 0.00 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2kb0 s PRO 136 CO 0.00 -1.24 0.41 0.42 0.04 0.00 0.00 177.00 176.63 2kb0 s ILE 137 N -1.93 5.04 0.46 0.56 -1.09 -1.22 -5.07 121.20 117.95 2kb0 s ILE 137 Ca 0.72 0.74 -0.13 0.00 -2.23 0.00 0.00 60.65 59.76 2kb0 s ILE 137 Cb -0.25 -3.69 -0.07 0.00 -1.58 0.00 0.00 42.46 36.87 2kb0 s ILE 137 CO 0.36 0.51 0.87 0.42 -1.23 0.00 0.00 174.94 175.86 2kb0 s THR 138 N -1.16 4.69 0.50 2.92 -4.23 -1.26 -4.90 115.64 112.20 2kb0 s THR 138 Ca 0.26 0.84 0.21 0.00 -1.18 0.00 0.00 61.69 61.82 2kb0 s THR 138 Cb -0.16 -3.74 0.27 0.00 1.34 0.00 0.00 72.50 70.21 2kb0 s THR 138 CO 0.14 -0.64 2.12 1.55 -0.54 0.00 0.00 174.62 177.26 2kb0 h PRO 139 N 0.98 0.00 -0.63 3.99 0.13 -1.97 -2.28 132.00 132.22 2kb0 h PRO 139 Ca -0.47 0.00 -0.06 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 0.07 0.17 0.93 -0.23 0.00 0.00 178.00 179.56 2kb0 h GLU 140 N 0.00 0.97 -0.39 0.86 5.08 -1.99 0.12 114.58 119.24 2kb0 h GLU 140 Ca -0.00 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2kb0 h GLU 140 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kb0 h GLU 140 CO 0.01 0.85 -0.04 1.15 -1.00 0.00 0.00 179.01 179.98 2kb0 h THR 141 N 0.94 1.23 0.01 1.13 2.02 -1.80 -2.60 112.91 113.84 2kb0 h THR 141 Ca 0.20 -0.96 -0.21 0.00 0.77 0.00 0.00 66.41 66.21 2kb0 h THR 141 Cb 0.31 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2kb0 h THR 141 CO -0.00 0.33 -0.93 0.00 0.37 0.00 0.00 175.52 175.29 2kb0 h ALA 142 N 1.36 0.43 -0.44 6.16 0.00 -1.38 -3.23 119.26 122.16 2kb0 h ALA 142 Ca 0.12 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2kb0 h ALA 142 Cb 0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2kb0 h ALA 142 CO 0.02 0.88 0.22 1.49 0.00 0.00 0.00 179.25 181.87 2kb0 h GLU 143 N 0.15 0.61 -0.41 0.00 4.81 -0.41 -1.83 114.58 117.50 2kb0 h GLU 143 Ca -0.06 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2kb0 h GLU 143 Cb 1.57 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 2kb0 h GLU 143 CO 0.15 0.46 0.01 0.87 -0.73 0.00 0.00 179.01 179.78 2kb0 h LYS 144 N 0.61 0.66 -0.98 1.92 1.57 -1.51 -2.49 116.57 116.35 2kb0 h LYS 144 Ca 0.16 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2kb0 h LYS 144 Cb 0.05 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 2kb0 h LYS 144 CO -0.02 0.67 0.65 1.25 -0.57 0.00 0.00 179.45 181.42 2kb0 h LEU 145 N 0.62 1.11 -0.36 2.94 5.85 -1.42 -1.33 115.31 122.73 2kb0 h LEU 145 Ca 0.13 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2kb0 h LEU 145 Cb 0.37 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2kb0 h LEU 145 CO 0.01 0.79 -0.07 0.00 -0.34 0.00 0.00 178.44 178.83 2kb0 h ALA 146 N 1.37 0.49 0.00 1.25 0.00 -1.40 -2.50 119.26 118.48 2kb0 h ALA 146 Ca 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kb0 h ALA 146 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2kb0 h ALA 146 CO -0.09 0.32 0.00 0.54 0.00 0.00 0.00 179.25 180.02 2kb0 n ARG 147 N -4.42 0.94 0.07 0.00 1.74 -0.91 -2.08 116.66 111.98 2kb0 n ARG 147 Ca -0.02 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.03 2kb0 n ARG 147 Cb 0.33 -1.11 -0.07 0.00 -1.02 0.00 0.00 32.46 30.58 2kb0 n ARG 147 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2kb0 h ASP 148 N 0.00 0.00 0.00 0.55 3.32 -0.78 -3.45 116.42 116.06 2kb0 h ASP 148 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kb0 h ASP 148 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kb0 h ASP 148 CO 0.00 0.78 0.00 0.18 -1.72 0.00 0.00 179.24 178.48 2kb0 n LEU 149 N -3.19 0.00 -2.74 1.55 4.77 -1.18 -5.04 117.00 111.18 2kb0 n LEU 149 Ca -0.04 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.90 2kb0 n LEU 149 Cb 0.88 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.03 2kb0 n LEU 149 CO 0.44 0.00 0.09 0.29 -1.33 0.00 0.00 177.39 176.88 2kb0 n LYS 150 N 0.00 1.40 -1.86 3.23 5.02 -1.25 -5.11 118.16 119.60 2kb0 n LYS 150 Ca 0.00 -2.92 -0.41 0.00 -2.02 0.00 0.00 58.31 52.95 2kb0 n LYS 150 Cb 0.00 -1.03 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.58 3.64 -0.09 7.82 0.00 -0.89 -4.71 121.76 124.96 2kb0 s ALA 151 Ca 0.24 1.50 -0.07 0.00 0.00 0.00 0.00 51.96 53.63 2kb0 s ALA 151 Cb 0.40 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 2kb0 s ALA 151 CO -0.03 -0.94 0.25 0.28 0.00 0.00 0.00 175.76 175.33 2kb0 h VAL 152 N 3.22 0.20 -2.32 0.00 2.07 -1.76 -3.46 116.25 114.20 2kb0 h VAL 152 Ca -0.48 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 65.93 2kb0 h VAL 152 Cb 1.23 0.36 -0.20 0.00 -1.52 0.00 0.00 31.29 31.16 2kb0 h VAL 152 CO 0.72 0.06 0.02 -0.75 0.02 0.00 0.00 177.57 177.65 2kb0 s LYS 153 N -2.11 0.85 0.17 1.57 2.47 -1.25 -5.08 119.74 116.36 2kb0 s LYS 153 Ca -0.04 0.36 0.10 0.00 -1.56 0.00 0.00 55.97 54.83 2kb0 s LYS 153 Cb -0.00 0.40 -0.04 0.00 -1.46 0.00 0.00 37.83 36.73 2kb0 s LYS 153 CO 0.14 -0.21 -0.22 1.52 0.16 0.00 0.00 175.35 176.73 2kb0 s TYR 154 N -0.70 2.09 0.06 4.03 1.13 -1.26 -3.20 117.35 119.49 2kb0 s TYR 154 Ca -0.08 -0.40 -0.06 0.00 -1.41 0.00 0.00 57.07 55.12 2kb0 s TYR 154 Cb -0.03 -1.05 -0.01 0.00 -1.10 0.00 0.00 41.96 39.77 2kb0 s TYR 154 CO 0.06 0.40 0.12 0.14 -2.51 0.00 0.00 175.55 173.75 2kb0 s VAL 155 N -1.69 0.15 -0.19 -3.49 -7.23 -0.97 -4.99 120.40 101.99 2kb0 s VAL 155 Ca 0.17 -1.23 -0.07 0.00 -1.81 0.00 0.00 61.98 59.04 2kb0 s VAL 155 Cb -0.08 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 2kb0 s VAL 155 CO 0.08 -0.68 0.06 -1.61 -0.31 0.00 0.00 175.10 172.64 2kb0 s GLU 156 N -3.28 3.90 -0.08 4.82 2.02 -1.26 -1.34 118.70 123.48 2kb0 s GLU 156 Ca 0.01 -0.38 0.04 0.00 0.02 0.00 0.00 54.97 54.66 2kb0 s GLU 156 Cb 0.03 -3.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.03 2kb0 s GLU 156 CO -0.08 0.19 -0.22 0.00 0.02 0.00 0.00 175.26 175.17 2kb0 s SER 158 N 0.27 5.22 0.41 0.00 0.15 -1.25 -3.43 113.70 115.07 2kb0 s SER 158 Ca -0.14 -1.08 0.16 0.00 0.70 0.00 0.00 55.95 55.59 2kb0 s SER 158 Cb -0.16 -1.85 0.89 0.00 -1.71 0.00 0.00 66.02 63.19 2kb0 s SER 158 CO 0.07 -0.29 1.89 0.00 1.20 0.00 0.00 173.24 176.11 2kb0 h ALA 159 N 8.20 1.42 -0.93 5.45 0.00 -1.93 -2.48 119.26 128.99 2kb0 h ALA 159 Ca -0.25 -0.27 0.22 0.00 0.00 0.00 0.00 54.91 54.62 2kb0 h ALA 159 Cb 1.09 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2kb0 h ALA 159 CO 0.60 0.36 0.62 1.25 0.00 0.00 0.00 179.25 182.08 2kb0 h LEU 160 N 0.00 0.35 -8.60 0.00 5.85 -1.92 -3.40 115.31 107.59 2kb0 h LEU 160 Ca -0.00 0.04 -0.47 0.00 0.84 0.00 0.00 57.88 58.29 2kb0 h LEU 160 Cb 0.55 -0.02 -0.20 0.00 0.37 0.00 0.00 40.66 41.36 2kb0 h LEU 160 CO 0.04 0.13 -0.79 -0.89 -0.34 0.00 0.00 178.44 176.59 2kb0 s THR 161 N -5.37 1.44 -1.53 1.05 2.01 -0.94 -4.96 115.64 107.35 2kb0 s THR 161 Ca -0.08 -1.57 0.00 0.00 0.31 0.00 0.00 61.69 60.35 2kb0 s THR 161 Cb 0.23 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 71.29 2kb0 s THR 161 CO 0.78 -0.24 0.00 0.00 -0.69 0.00 0.00 174.62 174.47 2kb0 n GLN 162 N 0.88 0.00 0.00 4.92 6.02 -1.26 -2.96 117.38 124.98 2kb0 n GLN 162 Ca -0.18 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.86 2kb0 n GLN 162 Cb 0.55 -0.99 0.28 0.00 1.02 0.00 0.00 30.24 31.11 2kb0 n GLN 162 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2kb0 n LYS 163 N -0.14 0.73 -0.13 -1.09 4.81 -1.24 -3.02 118.16 118.08 2kb0 n LYS 163 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 2kb0 n LYS 163 Cb 0.00 -1.20 -0.10 0.00 0.02 0.00 0.00 35.03 33.75 2kb0 n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kb0 n GLY 164 N 0.32 -0.50 0.27 3.14 0.00 -1.15 -3.94 105.19 103.33 2kb0 n GLY 164 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 0.88 -1.90 0.99 4.07 -1.85 -2.71 115.31 113.79 2kb0 h LEU 165 Ca -0.61 -0.34 -0.02 0.00 0.08 0.00 0.00 57.88 57.00 2kb0 h LEU 165 Cb 1.53 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 2kb0 h LEU 165 CO -0.37 1.08 -0.08 0.11 -1.08 0.00 0.00 178.44 178.10 2kb0 h LYS 166 N 0.73 0.00 0.00 1.13 1.57 -1.77 0.77 116.57 119.01 2kb0 h LYS 166 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2kb0 h LYS 166 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2kb0 h LYS 166 CO 0.07 0.08 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.08 2kb0 h ASN 167 N 0.00 0.03 0.81 0.86 2.35 -1.64 -3.27 115.58 114.71 2kb0 h ASN 167 Ca -0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 2kb0 h ASN 167 Cb 0.15 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2kb0 h ASN 167 CO 0.01 0.92 0.00 1.33 -1.65 0.00 0.00 177.43 178.04 2kb0 n VAL 168 N -4.63 0.60 -0.03 2.81 0.24 -1.05 -3.36 118.33 112.92 2kb0 n VAL 168 Ca -0.10 0.11 -0.15 0.00 -2.04 0.00 0.00 64.34 62.16 2kb0 n VAL 168 Cb 0.45 -0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 31.91 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 0.38 -0.70 6.34 3.57 -0.90 -2.59 116.94 123.04 2kb0 h PHE 169 Ca 0.00 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.36 2kb0 h PHE 169 Cb 0.40 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2kb0 h PHE 169 CO 0.00 0.91 0.44 -0.44 -2.23 0.00 0.00 178.31 176.99 2kb0 h ASP 170 N -0.25 0.72 0.04 0.41 3.32 -1.63 -1.67 116.42 117.36 2kb0 h ASP 170 Ca -0.02 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 2kb0 h ASP 170 Cb 0.95 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2kb0 h ASP 170 CO 0.06 0.50 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.48 2kb0 h GLU 171 N 0.85 0.36 -0.10 3.56 5.08 -1.67 -2.62 114.58 120.04 2kb0 h GLU 171 Ca 0.28 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2kb0 h GLU 171 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2kb0 h GLU 171 CO -0.11 0.60 0.04 0.00 -1.00 0.00 0.00 179.01 178.54 2kb0 h ALA 172 N 1.41 1.88 -0.55 3.43 0.00 -0.89 -2.27 119.26 122.26 2kb0 h ALA 172 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kb0 h ALA 172 Cb 0.64 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kb0 h ALA 172 CO 0.05 0.10 0.16 0.82 0.00 0.00 0.00 179.25 180.38 2kb0 h ILE 173 N 0.14 1.24 -0.66 0.00 1.08 -1.23 -2.56 117.51 115.52 2kb0 h ILE 173 Ca 0.04 -0.82 0.09 0.00 -0.39 0.00 0.00 64.86 63.78 2kb0 h ILE 173 Cb 0.03 0.73 -0.07 0.00 -3.07 0.00 0.00 36.82 34.44 2kb0 h ILE 173 CO -0.00 0.30 0.29 -0.07 -0.69 0.00 0.00 178.15 177.98 2kb0 h LEU 174 N 0.77 0.34 -0.99 1.44 3.38 -1.49 -0.48 115.31 118.28 2kb0 h LEU 174 Ca 0.18 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 2kb0 h LEU 174 Cb 0.30 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2kb0 h LEU 174 CO -0.00 0.20 0.03 0.00 0.09 0.00 0.00 178.44 178.75 2kb0 h ALA 175 N 1.42 1.17 -0.42 1.53 0.00 -1.52 -2.64 119.26 118.80 2kb0 h ALA 175 Ca 0.33 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2kb0 h ALA 175 Cb 0.38 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2kb0 h ALA 175 CO -0.29 0.55 0.12 0.00 0.00 0.00 0.00 179.25 179.63 2kb0 h ALA 176 N 1.31 0.48 -0.69 0.00 0.00 -0.69 -1.41 119.26 118.27 2kb0 h ALA 176 Ca 0.15 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2kb0 h ALA 176 Cb 0.40 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2kb0 h ALA 176 CO 0.01 -0.27 0.19 1.25 0.00 0.00 0.00 179.25 180.43 2kb0 h LEU 177 N 0.27 1.01 0.00 0.00 5.85 -1.25 -3.46 115.31 117.74 2kb0 h LEU 177 Ca 0.20 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kb0 h LEU 177 Cb 0.21 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2kb0 h LEU 177 CO -0.23 0.96 0.00 -0.62 -0.34 0.00 0.00 178.44 178.21