#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjr s ALA 2 N 0.00 0.57 -0.39 0.00 0.00 -1.26 -2.21 121.76 118.47 1bjr s ALA 2 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 1bjr s ALA 2 Cb 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1bjr s ALA 2 CO 0.00 -0.48 0.53 -1.14 0.00 0.00 0.00 175.76 174.68 1bjr s GLN 3 N 2.03 3.44 0.20 0.00 0.74 0.46 -4.92 119.66 121.61 1bjr s GLN 3 Ca 0.05 -0.32 -0.28 0.00 0.05 0.00 0.00 55.36 54.86 1bjr s GLN 3 Cb -0.12 -3.87 -0.08 0.00 1.10 0.00 0.00 33.01 30.03 1bjr s GLN 3 CO -0.05 -0.77 0.88 -0.08 -0.55 0.00 0.00 175.29 174.72 1bjr s THR 4 N 2.46 4.22 -0.90 -0.34 -1.32 -1.26 -0.16 115.64 118.34 1bjr s THR 4 Ca 0.19 1.95 -0.04 0.00 -1.21 0.00 0.00 61.69 62.58 1bjr s THR 4 Cb -0.15 -4.26 0.00 0.00 -1.51 0.00 0.00 72.50 66.58 1bjr s THR 4 CO 0.15 0.49 0.78 0.59 -2.21 0.00 0.00 174.62 174.41 1bjr n ASN 5 N 1.66 -3.73 -4.85 8.08 5.03 -1.13 -4.95 115.26 115.37 1bjr n ASN 5 Ca -0.03 -0.40 -0.34 0.00 0.87 0.00 0.00 54.58 54.68 1bjr n ASN 5 Cb 0.48 -3.71 -0.06 0.00 -1.02 0.00 0.00 39.78 35.47 1bjr n ASN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bjr s ALA 6 N -3.24 3.50 0.60 5.41 0.00 -0.18 -5.02 121.76 122.83 1bjr s ALA 6 Ca 0.23 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 1bjr s ALA 6 Cb -0.10 -2.58 -0.12 0.00 0.00 0.00 0.00 23.12 20.32 1bjr s ALA 6 CO 0.51 0.43 0.05 -2.30 0.00 0.00 0.00 175.76 174.46 1bjr n PRO 7 N 0.23 0.16 -0.16 0.00 -0.02 -1.26 -4.73 135.00 129.21 1bjr n PRO 7 Ca -0.01 0.07 -0.05 0.00 -2.02 0.00 0.00 63.50 61.49 1bjr n PRO 7 Cb 0.52 -1.28 0.04 0.00 -0.02 0.00 0.00 33.50 32.76 1bjr n PRO 7 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1bjr h TRP 8 N -0.11 0.47 0.00 6.00 5.08 -1.91 -2.99 115.95 122.50 1bjr h TRP 8 Ca -0.43 0.02 -0.07 0.00 1.08 0.00 0.00 58.89 59.49 1bjr h TRP 8 Cb 1.41 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 27.42 1bjr h TRP 8 CO 0.26 0.24 -0.33 0.78 -1.28 0.00 0.00 178.44 178.12 1bjr h GLY 9 N 0.50 0.00 0.77 11.11 0.00 -1.92 -0.92 103.07 112.61 1bjr h GLY 9 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1bjr h GLY 9 CO -0.13 0.00 -0.09 1.41 0.00 0.00 0.00 176.54 177.72 1bjr h LEU 10 N 0.00 -0.22 -1.81 3.11 3.38 -1.87 -2.52 115.31 115.38 1bjr h LEU 10 Ca -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1bjr h LEU 10 Cb 0.74 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1bjr h LEU 10 CO 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.62 1bjr h ALA 11 N 0.25 1.85 0.00 1.53 0.00 -1.44 -1.80 119.26 119.65 1bjr h ALA 11 Ca -0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1bjr h ALA 11 Cb 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1bjr h ALA 11 CO 0.04 0.12 -0.53 -0.09 0.00 0.00 0.00 179.25 178.79 1bjr h ARG 12 N 0.11 0.00 0.00 0.00 9.65 -1.11 -2.98 114.38 120.05 1bjr h ARG 12 Ca 0.03 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1bjr h ARG 12 Cb 0.09 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 1bjr h ARG 12 CO 0.00 0.53 -0.24 0.82 2.80 0.00 0.00 179.97 183.88 1bjr h ILE 13 N 0.00 0.49 -0.29 1.20 5.03 -0.87 -3.18 117.51 119.90 1bjr h ILE 13 Ca -0.01 -1.34 0.00 0.00 -0.12 0.00 0.00 64.86 63.39 1bjr h ILE 13 Cb 1.02 1.96 0.00 0.00 -3.03 0.00 0.00 36.82 36.77 1bjr h ILE 13 CO 0.07 0.24 0.00 -1.54 -0.68 0.00 0.00 178.15 176.24 1bjr n SER 14 N -3.27 3.86 -4.14 1.72 3.41 -1.15 -0.91 113.62 113.15 1bjr n SER 14 Ca 0.01 -2.89 -0.11 0.00 -0.26 0.00 0.00 58.87 55.63 1bjr n SER 14 Cb 0.52 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1bjr n SER 14 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bjr s SER 15 N -1.76 1.01 0.04 4.04 0.15 -1.13 -4.71 113.70 111.34 1bjr s SER 15 Ca 0.41 -0.91 0.22 0.00 0.70 0.00 0.00 55.95 56.37 1bjr s SER 15 Cb 0.32 0.09 -0.16 0.00 -1.71 0.00 0.00 66.02 64.56 1bjr s SER 15 CO 0.10 -0.43 0.78 1.07 1.20 0.00 0.00 173.24 175.96 1bjr n THR 16 N 0.28 0.17 -4.42 6.45 5.66 -1.26 -4.92 114.28 116.25 1bjr n THR 16 Ca -0.15 -0.39 -0.22 0.00 -3.05 0.00 0.00 64.05 60.24 1bjr n THR 16 Cb 0.60 0.08 -0.10 0.00 -1.55 0.00 0.00 70.33 69.35 1bjr n THR 16 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1bjr s SER 17 N -4.39 3.10 0.78 1.09 1.04 -1.26 -5.09 113.70 108.97 1bjr s SER 17 Ca -0.02 -1.05 -0.10 0.00 0.48 0.00 0.00 55.95 55.27 1bjr s SER 17 Cb 0.13 -0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.12 1bjr s SER 17 CO 0.85 -0.09 1.13 -2.16 0.98 0.00 0.00 173.24 173.95 1bjr s PRO 18 N -3.59 1.90 0.00 4.02 0.05 -1.26 -4.34 135.00 131.78 1bjr s PRO 18 Ca 0.27 -0.13 0.00 0.00 0.05 0.00 0.00 61.00 61.19 1bjr s PRO 18 Cb -0.02 -2.04 0.00 0.00 0.05 0.00 0.00 34.50 32.49 1bjr s PRO 18 CO 0.11 -1.54 0.00 0.41 0.05 0.00 0.00 177.00 176.03 1bjr n GLY 19 N -3.20 0.80 3.89 0.56 0.00 -1.26 -5.03 105.19 100.94 1bjr n GLY 19 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1bjr n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bjr s THR 20 N -3.18 4.80 0.00 2.61 -4.23 -1.26 -5.02 115.64 109.35 1bjr s THR 20 Ca 0.00 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1bjr s THR 20 Cb 0.00 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1bjr s THR 20 CO 0.00 -0.98 0.21 -1.54 -0.54 0.00 0.00 174.62 171.77 1bjr n SER 21 N -2.45 0.43 -4.67 3.99 3.41 -1.26 -4.79 113.62 108.28 1bjr n SER 21 Ca 0.03 -0.76 -0.35 0.00 -0.26 0.00 0.00 58.87 57.53 1bjr n SER 21 Cb 0.55 0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 64.64 1bjr n SER 21 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1bjr s THR 22 N -0.24 4.39 -0.26 6.66 2.01 -1.26 -1.01 115.64 125.93 1bjr s THR 22 Ca 0.00 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 61.69 1bjr s THR 22 Cb 0.00 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 1bjr s THR 22 CO 0.00 0.58 0.16 -0.47 -0.69 0.00 0.00 174.62 174.20 1bjr s TYR 23 N -0.66 3.22 -0.17 4.92 5.04 0.78 -4.48 117.35 126.01 1bjr s TYR 23 Ca 0.11 0.06 -0.05 0.00 -2.44 0.00 0.00 57.07 54.74 1bjr s TYR 23 Cb -0.12 -2.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.85 1bjr s TYR 23 CO 0.02 -0.12 0.01 0.71 -1.34 0.00 0.00 175.55 174.83 1bjr s TYR 24 N 1.48 3.13 0.10 4.97 2.02 -1.26 -0.40 117.35 127.38 1bjr s TYR 24 Ca 0.07 -0.13 -0.25 0.00 -0.37 0.00 0.00 57.07 56.38 1bjr s TYR 24 Cb -0.15 -2.01 0.07 0.00 -0.40 0.00 0.00 41.96 39.47 1bjr s TYR 24 CO 0.08 0.05 0.63 1.52 -1.57 0.00 0.00 175.55 176.25 1bjr s TYR 25 N 0.36 -0.57 0.30 2.71 1.13 -0.94 -4.66 117.35 115.68 1bjr s TYR 25 Ca -0.01 0.55 -0.29 0.00 -1.41 0.00 0.00 57.07 55.91 1bjr s TYR 25 Cb -0.13 0.52 -0.10 0.00 -1.10 0.00 0.00 41.96 41.15 1bjr s TYR 25 CO 0.02 -0.78 1.23 0.34 -2.51 0.00 0.00 175.55 173.85 1bjr s ASP 26 N -2.31 6.97 0.32 -0.18 2.15 -1.26 -1.90 116.67 120.46 1bjr s ASP 26 Ca -0.02 2.50 0.24 0.00 0.43 0.00 0.00 52.55 55.69 1bjr s ASP 26 Cb -0.01 -2.64 1.14 0.00 -0.30 0.00 0.00 42.92 41.12 1bjr s ASP 26 CO -0.06 -0.39 1.72 1.05 -0.17 0.00 0.00 175.17 177.31 1bjr h GLU 27 N 3.77 0.00 -0.20 4.34 9.09 -2.01 -1.62 114.58 127.95 1bjr h GLU 27 Ca -0.48 0.00 0.03 0.00 0.05 0.00 0.00 59.36 58.96 1bjr h GLU 27 Cb 1.22 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.31 1bjr h GLU 27 CO 0.67 0.00 0.14 0.66 0.05 0.00 0.00 179.01 180.53 1bjr h SER 28 N 0.00 0.12 -6.84 3.06 4.64 -2.00 -3.46 113.55 109.07 1bjr h SER 28 Ca 0.00 -0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1bjr h SER 28 Cb 0.17 -0.03 -0.27 0.00 -0.31 0.00 0.00 62.40 61.96 1bjr h SER 28 CO 0.00 0.08 -0.84 0.00 -0.87 0.00 0.00 176.83 175.20 1bjr n ALA 29 N -2.54 -1.22 -1.20 5.18 0.00 -0.61 -1.45 120.51 118.66 1bjr n ALA 29 Ca 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1bjr n ALA 29 Cb 0.18 -3.09 -0.03 0.00 0.00 0.00 0.00 19.45 16.51 1bjr n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bjr n GLY 30 N -1.24 0.91 3.76 0.00 0.00 -1.26 -0.59 105.19 106.77 1bjr n GLY 30 Ca 0.09 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1bjr n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bjr s GLN 31 N -2.59 4.31 0.00 1.61 -0.21 -0.53 -2.59 119.66 119.66 1bjr s GLN 31 Ca 0.00 2.25 0.00 0.00 0.02 0.00 0.00 55.36 57.63 1bjr s GLN 31 Cb 0.00 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.91 1bjr s GLN 31 CO 0.00 -0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.27 1bjr n GLY 32 N 1.56 2.77 3.95 3.09 0.00 -1.26 -4.84 105.19 110.45 1bjr n GLY 32 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1bjr n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bjr s SER 33 N -1.34 6.31 -0.01 1.61 1.04 -1.07 -0.53 113.70 119.71 1bjr s SER 33 Ca 0.00 0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.83 1bjr s SER 33 Cb 0.00 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 1bjr s SER 33 CO 0.00 -0.23 -0.13 0.00 0.98 0.00 0.00 173.24 173.86 1bjr s VAL 35 N -0.32 1.79 -0.28 0.00 1.01 0.95 -1.09 120.40 122.46 1bjr s VAL 35 Ca 0.05 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1bjr s VAL 35 Cb -0.05 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1bjr s VAL 35 CO -0.00 0.50 0.54 -0.31 0.00 0.00 0.00 175.10 175.82 1bjr s TYR 36 N 1.10 3.25 -0.42 5.22 1.51 -0.40 -0.90 117.35 126.70 1bjr s TYR 36 Ca -0.02 0.59 -0.14 0.00 -1.01 0.00 0.00 57.07 56.49 1bjr s TYR 36 Cb -0.14 -2.78 0.04 0.00 -0.11 0.00 0.00 41.96 38.96 1bjr s TYR 36 CO -0.06 -0.34 0.31 0.08 -1.11 0.00 0.00 175.55 174.43 1bjr s VAL 37 N 2.37 5.07 -0.26 0.71 1.01 0.09 -1.53 120.40 127.86 1bjr s VAL 37 Ca 0.22 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1bjr s VAL 37 Cb -0.15 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1bjr s VAL 37 CO 0.10 -0.38 0.54 -0.63 0.00 0.00 0.00 175.10 174.73 1bjr s ILE 38 N 1.63 5.05 0.00 2.22 1.01 -1.04 -2.50 121.20 127.56 1bjr s ILE 38 Ca 0.04 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1bjr s ILE 38 Cb -0.21 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1bjr s ILE 38 CO 0.08 0.07 0.00 -0.67 0.00 0.00 0.00 174.94 174.42 1bjr n ASP 39 N 5.59 0.00 0.20 3.58 2.03 -0.06 -4.49 116.55 123.40 1bjr n ASP 39 Ca -0.03 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.42 1bjr n ASP 39 Cb 0.49 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 41.48 1bjr n ASP 39 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bjr h THR 40 N 0.00 0.00 0.00 5.18 1.35 -1.83 0.19 112.91 117.80 1bjr h THR 40 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1bjr h THR 40 Cb 0.00 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1bjr h THR 40 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1bjr n GLY 41 N 0.02 0.62 2.86 5.82 0.00 -1.26 -4.06 105.19 109.18 1bjr n GLY 41 Ca 0.01 -2.29 -0.16 0.00 0.00 0.00 0.00 46.02 43.58 1bjr n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bjr s ILE 42 N -0.63 0.22 -0.97 -0.61 1.01 -1.26 -3.30 121.20 115.66 1bjr s ILE 42 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.42 1bjr s ILE 42 Cb 0.00 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.21 1bjr s ILE 42 CO 0.00 0.13 1.64 -0.70 0.00 0.00 0.00 174.94 176.01 1bjr s GLU 43 N 0.67 3.19 0.63 2.79 2.12 -1.26 -4.57 118.70 122.27 1bjr s GLU 43 Ca -0.07 -0.80 0.42 0.00 0.36 0.00 0.00 54.97 54.88 1bjr s GLU 43 Cb -0.10 -5.24 2.16 0.00 0.26 0.00 0.00 34.13 31.21 1bjr s GLU 43 CO -0.01 -2.66 2.27 0.00 -0.54 0.00 0.00 175.26 174.31 1bjr h ALA 44 N 10.38 1.00 -0.01 6.30 0.00 -1.97 -1.80 119.26 133.16 1bjr h ALA 44 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1bjr h ALA 44 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1bjr h ALA 44 CO 1.34 0.00 -0.09 -1.13 0.00 0.00 0.00 179.25 179.38 1bjr n SER 45 N -3.05 0.88 -4.68 0.00 3.41 -1.26 -4.67 113.62 104.25 1bjr n SER 45 Ca -0.02 -1.02 -0.42 0.00 -0.26 0.00 0.00 58.87 57.15 1bjr n SER 45 Cb 0.12 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1bjr n SER 45 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1bjr s HIS 46 N -2.25 1.95 0.46 7.33 2.46 -0.68 -4.86 115.29 119.69 1bjr s HIS 46 Ca 0.34 -0.01 0.40 0.00 0.47 0.00 0.00 55.06 56.25 1bjr s HIS 46 Cb 0.20 -4.09 2.12 0.00 -0.13 0.00 0.00 32.58 30.68 1bjr s HIS 46 CO 0.42 -4.61 2.22 -1.35 -2.47 0.00 0.00 174.74 168.95 1bjr h PRO 47 N 9.25 0.00 0.00 2.88 0.11 -1.91 -0.17 132.00 142.16 1bjr h PRO 47 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1bjr h PRO 47 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1bjr h PRO 47 CO 0.94 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.66 1bjr h GLU 48 N 0.00 0.00 0.00 1.05 4.39 -1.97 -2.40 114.58 115.66 1bjr h GLU 48 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bjr h GLU 48 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1bjr h GLU 48 CO 0.00 0.00 -1.08 1.19 -1.16 0.00 0.00 179.01 177.96 1bjr n PHE 49 N -2.90 0.76 -3.88 4.33 3.72 -0.08 -0.91 117.46 118.49 1bjr n PHE 49 Ca -0.01 0.22 -0.30 0.00 -0.05 0.00 0.00 57.45 57.30 1bjr n PHE 49 Cb 0.15 -0.83 0.01 0.00 -0.94 0.00 0.00 39.48 37.87 1bjr n PHE 49 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1bjr n GLU 50 N -2.51 -4.70 -1.00 -1.08 1.02 -0.90 -0.87 120.64 110.60 1bjr n GLU 50 Ca 0.00 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 1bjr n GLU 50 Cb 0.53 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 1bjr n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bjr n GLY 51 N -1.55 0.51 0.46 0.62 0.00 -1.26 -4.91 105.19 99.06 1bjr n GLY 51 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1bjr n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjr n ARG 52 N -2.88 1.13 -4.10 1.61 1.74 -0.05 -4.95 116.66 109.15 1bjr n ARG 52 Ca 0.00 -0.92 -0.28 0.00 -0.77 0.00 0.00 57.85 55.88 1bjr n ARG 52 Cb 0.01 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 29.90 1bjr n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bjr s ALA 53 N -2.50 3.45 -0.28 7.54 0.00 -1.26 -0.66 121.76 128.05 1bjr s ALA 53 Ca 0.18 -1.16 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 1bjr s ALA 53 Cb 0.18 -1.29 0.12 0.00 0.00 0.00 0.00 23.12 22.13 1bjr s ALA 53 CO 0.58 0.61 0.89 -1.14 0.00 0.00 0.00 175.76 176.71 1bjr s GLN 54 N -2.70 0.51 -0.12 0.00 0.74 -0.04 -4.86 119.66 113.19 1bjr s GLN 54 Ca 0.29 0.82 -0.30 0.00 0.05 0.00 0.00 55.36 56.22 1bjr s GLN 54 Cb -0.11 0.13 -0.01 0.00 1.10 0.00 0.00 33.01 34.12 1bjr s GLN 54 CO 0.21 -0.10 1.07 -1.64 -0.55 0.00 0.00 175.29 174.29 1bjr s MET 55 N 1.22 4.37 -0.01 1.67 -1.94 -1.26 0.20 119.30 123.54 1bjr s MET 55 Ca -0.07 1.47 0.03 0.00 -1.71 0.00 0.00 55.69 55.41 1bjr s MET 55 Cb -0.04 -3.57 -0.05 0.00 2.01 0.00 0.00 34.83 33.17 1bjr s MET 55 CO -0.14 -0.42 0.06 1.55 -0.01 0.00 0.00 175.02 176.06 1bjr n VAL 56 N 4.73 0.05 -3.64 -6.03 3.14 0.05 -4.87 118.33 111.77 1bjr n VAL 56 Ca 0.10 -0.09 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 1bjr n VAL 56 Cb 0.47 0.11 -0.07 0.00 -1.06 0.00 0.00 33.84 33.29 1bjr n VAL 56 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1bjr s LYS 57 N -2.20 0.59 0.11 1.45 2.47 -0.76 -5.00 119.74 116.40 1bjr s LYS 57 Ca -0.01 0.70 0.07 0.00 -1.56 0.00 0.00 55.97 55.17 1bjr s LYS 57 Cb 0.02 0.29 -0.04 0.00 -1.46 0.00 0.00 37.83 36.64 1bjr s LYS 57 CO 0.14 -0.07 -0.18 0.99 0.16 0.00 0.00 175.35 176.39 1bjr s THR 58 N 0.27 1.59 -0.34 3.43 2.01 -1.26 0.62 115.64 121.96 1bjr s THR 58 Ca 0.02 -1.59 0.16 0.00 0.31 0.00 0.00 61.69 60.59 1bjr s THR 58 Cb -0.05 -1.53 0.54 0.00 0.01 0.00 0.00 72.50 71.47 1bjr s THR 58 CO -0.04 -0.18 1.44 -1.22 -0.69 0.00 0.00 174.62 173.93 1bjr n TYR 59 N 0.90 1.03 -4.52 4.92 4.01 -0.86 -4.95 117.16 117.68 1bjr n TYR 59 Ca -0.18 -0.80 -0.26 0.00 -0.16 0.00 0.00 57.90 56.51 1bjr n TYR 59 Cb 0.55 -0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 39.20 1bjr n TYR 59 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1bjr s TYR 60 N -2.52 1.80 0.26 -0.72 2.02 -1.26 -5.04 117.35 111.89 1bjr s TYR 60 Ca 0.41 -1.25 0.17 0.00 -0.37 0.00 0.00 57.07 56.03 1bjr s TYR 60 Cb 0.32 -1.18 0.72 0.00 -0.40 0.00 0.00 41.96 41.42 1bjr s TYR 60 CO 0.11 -0.26 1.77 1.88 -1.57 0.00 0.00 175.55 177.48 1bjr h TYR 61 N 1.79 0.00 -4.27 2.71 0.05 -2.00 -3.43 116.97 111.82 1bjr h TYR 61 Ca -0.36 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 57.73 1bjr h TYR 61 Cb 1.27 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.74 1bjr h TYR 61 CO 1.45 0.39 -0.84 0.45 -1.05 0.00 0.00 178.16 178.55 1bjr s SER 62 N -6.58 3.44 -0.06 3.88 0.15 -1.26 -5.00 113.70 108.27 1bjr s SER 62 Ca -0.01 -0.37 0.12 0.00 0.70 0.00 0.00 55.95 56.39 1bjr s SER 62 Cb 0.12 -0.64 0.45 0.00 -1.71 0.00 0.00 66.02 64.24 1bjr s SER 62 CO 0.70 0.31 1.32 -1.54 1.20 0.00 0.00 173.24 175.23 1bjr n SER 63 N 2.51 3.07 -4.93 5.45 3.41 -1.26 -4.85 113.62 117.00 1bjr n SER 63 Ca -0.17 -2.22 -0.24 0.00 -0.26 0.00 0.00 58.87 55.98 1bjr n SER 63 Cb 0.52 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1bjr n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bjr s ARG 64 N -1.66 3.35 -0.54 4.33 1.04 -1.26 -4.62 118.95 119.59 1bjr s ARG 64 Ca 0.32 -0.73 -0.24 0.00 -1.04 0.00 0.00 55.73 54.04 1bjr s ARG 64 Cb 0.20 -2.87 0.04 0.00 -2.04 0.00 0.00 34.95 30.28 1bjr s ARG 64 CO 0.17 0.47 0.94 0.34 -0.04 0.00 0.00 175.30 177.18 1bjr s ASP 65 N -3.59 6.35 -0.11 -2.89 2.15 -1.26 -4.74 116.67 112.58 1bjr s ASP 65 Ca 0.34 -0.32 0.15 0.00 0.43 0.00 0.00 52.55 53.15 1bjr s ASP 65 Cb -0.10 -2.44 0.50 0.00 -0.30 0.00 0.00 42.92 40.59 1bjr s ASP 65 CO 0.28 -1.21 1.42 0.61 -0.17 0.00 0.00 175.17 176.09 1bjr n GLY 66 N 5.10 3.37 0.79 2.66 0.00 -1.26 -4.51 105.19 111.35 1bjr n GLY 66 Ca 0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 1bjr n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bjr n ASN 67 N 0.14 1.30 0.00 1.61 2.85 -1.26 -4.83 115.26 115.08 1bjr n ASN 67 Ca 0.19 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 1bjr n ASN 67 Cb 0.76 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.34 1bjr n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1bjr n GLY 68 N 2.94 1.60 0.10 8.20 0.00 -1.26 -4.91 105.19 111.85 1bjr n GLY 68 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1bjr n GLY 68 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1bjr h HIS 69 N 0.00 -0.28 -0.96 1.61 6.17 -1.95 -1.73 115.15 118.00 1bjr h HIS 69 Ca 0.00 0.00 0.35 0.00 0.71 0.00 0.00 60.37 61.43 1bjr h HIS 69 Cb 0.00 0.11 -0.18 0.00 2.52 0.00 0.00 27.41 29.86 1bjr h HIS 69 CO 0.00 -0.14 0.33 0.41 0.71 0.00 0.00 177.93 179.24 1bjr n GLY 70 N -1.12 -0.94 0.31 5.26 0.00 -1.26 -0.92 105.19 106.53 1bjr n GLY 70 Ca -0.03 0.84 -0.07 0.00 0.00 0.00 0.00 46.02 46.76 1bjr n GLY 70 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bjr h THR 71 N 0.00 1.26 0.05 2.61 2.02 -1.47 -0.06 112.91 117.31 1bjr h THR 71 Ca 0.73 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1bjr h THR 71 Cb 1.80 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1bjr h THR 71 CO -0.80 0.35 -0.02 -0.74 0.37 0.00 0.00 175.52 174.68 1bjr h HIS 72 N 1.01 -0.06 0.20 3.16 6.17 -0.11 -0.82 115.15 124.70 1bjr h HIS 72 Ca 0.22 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.30 1bjr h HIS 72 Cb 0.33 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.26 1bjr h HIS 72 CO 0.03 0.07 -0.19 0.00 0.71 0.00 0.00 177.93 178.55 1bjr h ALA 74 N 0.33 1.51 0.02 0.00 0.00 -0.90 -1.17 119.26 119.06 1bjr h ALA 74 Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1bjr h ALA 74 Cb 0.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1bjr h ALA 74 CO -0.03 -0.13 -0.98 0.78 0.00 0.00 0.00 179.25 178.89 1bjr h GLY 75 N 0.00 0.07 2.00 0.00 0.00 0.11 -2.33 103.07 102.93 1bjr h GLY 75 Ca 0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1bjr h GLY 75 CO -0.00 0.15 -0.48 -0.84 0.00 0.00 0.00 176.54 175.37 1bjr h THR 76 N 0.03 1.18 0.18 4.70 2.02 -0.72 -1.60 112.91 118.70 1bjr h THR 76 Ca -0.03 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.40 1bjr h THR 76 Cb 1.69 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 1bjr h THR 76 CO 0.14 0.47 -0.08 0.58 0.37 0.00 0.00 175.52 176.99 1bjr h VAL 77 N 0.00 0.82 0.00 3.16 2.07 -1.50 0.08 116.25 120.87 1bjr h VAL 77 Ca -0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1bjr h VAL 77 Cb 0.94 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1bjr h VAL 77 CO 0.06 0.21 -0.16 0.61 0.02 0.00 0.00 177.57 178.31 1bjr n GLY 78 N 0.52 -0.74 3.72 2.17 0.00 -0.88 -0.47 105.19 109.52 1bjr n GLY 78 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1bjr n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bjr s SER 79 N -0.32 3.69 0.22 1.61 1.04 -0.64 -4.53 113.70 114.77 1bjr s SER 79 Ca 0.00 1.67 -0.02 0.00 0.48 0.00 0.00 55.95 58.09 1bjr s SER 79 Cb 0.00 -2.34 0.22 0.00 0.10 0.00 0.00 66.02 64.01 1bjr s SER 79 CO 0.00 -2.53 1.61 -0.09 0.98 0.00 0.00 173.24 173.21 1bjr h ARG 80 N -1.47 0.60 0.01 4.02 2.43 -1.30 -1.34 114.38 117.32 1bjr h ARG 80 Ca -0.47 -0.28 -0.36 0.00 -0.81 0.00 0.00 59.98 58.05 1bjr h ARG 80 Cb 1.27 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 1bjr h ARG 80 CO 0.52 0.87 -2.26 2.41 -1.51 0.00 0.00 179.97 179.99 1bjr n THR 81 N -4.05 1.49 0.84 0.20 -1.04 -1.26 -4.55 114.28 105.90 1bjr n THR 81 Ca -0.01 -0.75 0.09 0.00 -2.04 0.00 0.00 64.05 61.33 1bjr n THR 81 Cb 0.49 -0.94 -0.07 0.00 -1.82 0.00 0.00 70.33 68.00 1bjr n THR 81 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bjr n TYR 82 N -3.01 0.00 -3.22 -1.42 4.01 -1.25 -4.71 117.16 107.57 1bjr n TYR 82 Ca -0.34 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.04 1bjr n TYR 82 Cb 1.09 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.06 1bjr n TYR 82 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bjr s GLY 83 N -2.49 2.59 0.00 2.72 0.00 -0.51 -4.18 107.32 105.47 1bjr s GLY 83 Ca 0.10 0.05 -0.22 0.00 0.00 0.00 0.00 44.72 44.65 1bjr s GLY 83 CO 0.64 0.41 1.23 -2.08 0.00 0.00 0.00 173.10 173.29 1bjr h VAL 84 N 2.97 1.41 -3.42 1.40 2.07 -0.85 -3.38 116.25 116.45 1bjr h VAL 84 Ca -0.48 -1.52 -0.72 0.00 0.82 0.00 0.00 66.70 64.79 1bjr h VAL 84 Cb 1.20 2.22 -0.34 0.00 -1.52 0.00 0.00 31.29 32.84 1bjr h VAL 84 CO 0.65 0.43 -0.08 0.00 0.02 0.00 0.00 177.57 178.59 1bjr s ALA 85 N -3.88 4.16 -1.02 1.67 0.00 0.38 -4.93 121.76 118.15 1bjr s ALA 85 Ca -0.15 -3.70 0.08 0.00 0.00 0.00 0.00 51.96 48.18 1bjr s ALA 85 Cb 0.03 -2.91 0.33 0.00 0.00 0.00 0.00 23.12 20.57 1bjr s ALA 85 CO 0.75 -2.16 1.24 1.63 0.00 0.00 0.00 175.76 177.22 1bjr n LYS 86 N 2.68 0.00 -0.14 0.00 5.02 -1.14 -1.87 118.16 122.70 1bjr n LYS 86 Ca 0.19 0.36 0.03 0.00 -2.02 0.00 0.00 58.31 56.87 1bjr n LYS 86 Cb 0.38 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.93 1bjr n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bjr n LYS 87 N -1.49 1.10 -1.63 1.97 5.02 0.25 -4.69 118.16 118.68 1bjr n LYS 87 Ca 0.02 -1.43 -0.29 0.00 -2.02 0.00 0.00 58.31 54.58 1bjr n LYS 87 Cb 0.09 -0.89 0.11 0.00 -0.02 0.00 0.00 35.03 34.31 1bjr n LYS 87 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1bjr s THR 88 N -1.03 2.45 -0.18 -0.18 -1.32 -0.78 -3.82 115.64 110.78 1bjr s THR 88 Ca 0.09 0.14 -0.08 0.00 -1.21 0.00 0.00 61.69 60.63 1bjr s THR 88 Cb 0.08 -2.95 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1bjr s THR 88 CO 0.01 -0.19 0.10 -1.58 -2.21 0.00 0.00 174.62 170.75 1bjr s GLN 89 N -5.30 3.97 -0.17 7.08 2.00 -0.53 -4.92 119.66 121.79 1bjr s GLN 89 Ca 0.62 -0.27 -0.04 0.00 -2.00 0.00 0.00 55.36 53.68 1bjr s GLN 89 Cb -0.14 -3.28 -0.02 0.00 0.80 0.00 0.00 33.01 30.37 1bjr s GLN 89 CO 0.53 0.36 -0.04 -0.51 -0.50 0.00 0.00 175.29 175.13 1bjr s LEU 90 N 0.15 3.17 -0.13 3.68 1.43 0.17 -0.04 118.68 127.11 1bjr s LEU 90 Ca 0.07 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1bjr s LEU 90 Cb -0.12 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1bjr s LEU 90 CO -0.00 0.14 -0.19 -0.36 0.23 0.00 0.00 176.35 176.16 1bjr s PHE 91 N 0.56 2.69 -0.14 0.29 0.08 -0.08 -0.86 117.98 120.51 1bjr s PHE 91 Ca -0.03 -1.04 -0.15 0.00 0.12 0.00 0.00 56.93 55.84 1bjr s PHE 91 Cb -0.14 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.46 1bjr s PHE 91 CO 0.03 -0.44 0.34 0.20 -0.10 0.00 0.00 175.22 175.25 1bjr s GLY 92 N 0.57 2.27 -0.26 4.36 0.00 0.13 -0.73 107.32 113.66 1bjr s GLY 92 Ca -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1bjr s GLY 92 CO 0.04 0.45 -0.00 0.14 0.00 0.00 0.00 173.10 173.72 1bjr s VAL 93 N 0.30 1.36 -0.86 1.40 1.01 -1.04 -0.77 120.40 121.81 1bjr s VAL 93 Ca 0.19 -1.30 -0.21 0.00 0.00 0.00 0.00 61.98 60.66 1bjr s VAL 93 Cb -0.14 -1.78 0.09 0.00 0.00 0.00 0.00 36.38 34.56 1bjr s VAL 93 CO 0.06 -0.28 1.15 -0.75 0.00 0.00 0.00 175.10 175.28 1bjr s LYS 94 N 1.44 3.43 -0.01 2.72 2.20 0.20 -0.88 119.74 128.84 1bjr s LYS 94 Ca -0.00 -1.28 0.20 0.00 -0.36 0.00 0.00 55.97 54.52 1bjr s LYS 94 Cb -0.18 -4.76 -0.25 0.00 -1.51 0.00 0.00 37.83 31.13 1bjr s LYS 94 CO -0.10 -1.89 0.68 1.33 -0.36 0.00 0.00 175.35 175.01 1bjr n VAL 95 N 5.93 0.00 -4.42 4.02 0.24 0.47 -2.04 118.33 122.54 1bjr n VAL 95 Ca 0.16 -0.19 -0.35 0.00 -2.04 0.00 0.00 64.34 61.92 1bjr n VAL 95 Cb 0.48 0.65 -0.10 0.00 -1.47 0.00 0.00 33.84 33.41 1bjr n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1bjr s LEU 96 N -3.46 3.49 0.00 1.34 1.43 -0.15 -4.50 118.68 116.83 1bjr s LEU 96 Ca 0.02 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1bjr s LEU 96 Cb 0.14 -1.80 0.16 0.00 0.03 0.00 0.00 46.19 44.71 1bjr s LEU 96 CO 0.81 0.37 0.74 -0.90 0.23 0.00 0.00 176.35 177.60 1bjr n ASP 97 N 2.11 -0.67 0.00 2.29 5.68 0.11 -4.15 116.55 121.93 1bjr n ASP 97 Ca -0.18 -1.13 0.06 0.00 -0.50 0.00 0.00 54.79 53.05 1bjr n ASP 97 Cb 0.53 -0.61 0.35 0.00 -1.14 0.00 0.00 41.12 40.25 1bjr n ASP 97 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1bjr n ASP 98 N -3.78 0.00 -0.01 -1.12 8.00 -1.26 -1.11 116.55 117.28 1bjr n ASP 98 Ca 0.10 -0.12 0.09 0.00 0.71 0.00 0.00 54.79 55.57 1bjr n ASP 98 Cb 0.35 -0.16 -0.14 0.00 -0.02 0.00 0.00 41.12 41.16 1bjr n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1bjr n ASN 99 N -1.16 0.77 0.00 -2.24 3.02 -1.26 -4.08 115.26 110.30 1bjr n ASN 99 Ca 0.08 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1bjr n ASN 99 Cb 0.08 1.69 0.00 0.00 -0.61 0.00 0.00 39.78 40.93 1bjr n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bjr n GLY 100 N 1.44 1.43 3.47 7.41 0.00 -0.26 -5.09 105.19 113.59 1bjr n GLY 100 Ca -0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1bjr n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bjr s SER 101 N -2.03 3.31 0.06 1.61 1.04 -1.26 -4.81 113.70 111.63 1bjr s SER 101 Ca 0.00 -1.12 -0.26 0.00 0.48 0.00 0.00 55.95 55.05 1bjr s SER 101 Cb 0.00 -0.26 0.07 0.00 0.10 0.00 0.00 66.02 65.93 1bjr s SER 101 CO 0.00 -0.15 0.65 -0.83 0.98 0.00 0.00 173.24 173.89 1bjr s GLY 102 N -3.50 -0.59 0.66 7.32 0.00 -1.26 0.06 107.32 110.01 1bjr s GLY 102 Ca 0.30 0.87 -0.11 0.00 0.00 0.00 0.00 44.72 45.78 1bjr s GLY 102 CO 0.14 0.49 1.04 1.20 0.00 0.00 0.00 173.10 175.98 1bjr s GLN 103 N -2.68 3.27 0.18 2.90 -0.21 -1.26 -4.99 119.66 116.87 1bjr s GLN 103 Ca -0.03 0.86 -0.11 0.00 0.02 0.00 0.00 55.36 56.10 1bjr s GLN 103 Cb -0.01 -2.03 0.08 0.00 1.00 0.00 0.00 33.01 32.05 1bjr s GLN 103 CO -0.04 -0.83 1.70 1.88 -2.12 0.00 0.00 175.29 175.88 1bjr h TYR 104 N -0.50 1.04 -0.44 0.91 0.05 -2.00 -2.86 116.97 113.17 1bjr h TYR 104 Ca -0.44 -0.12 0.01 0.00 0.05 0.00 0.00 58.73 58.24 1bjr h TYR 104 Cb 1.20 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 1bjr h TYR 104 CO 0.64 0.86 0.29 0.66 -1.05 0.00 0.00 178.16 179.56 1bjr h SER 105 N 0.91 0.48 -0.02 3.88 4.64 -1.98 0.00 113.55 121.46 1bjr h SER 105 Ca 0.20 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1bjr h SER 105 Cb 0.33 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1bjr h SER 105 CO -0.00 0.34 0.00 1.07 -0.87 0.00 0.00 176.83 177.37 1bjr n THR 106 N -4.47 0.02 0.00 2.95 5.66 -1.08 -1.81 114.28 115.54 1bjr n THR 106 Ca 0.04 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1bjr n THR 106 Cb 0.09 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 1bjr n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bjr n ILE 107 N -0.63 0.00 -0.02 1.09 3.06 -0.76 -2.16 119.36 119.95 1bjr n ILE 107 Ca 0.19 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.28 1bjr n ILE 107 Cb 0.15 0.15 -0.09 0.00 0.54 0.00 0.00 39.64 40.39 1bjr n ILE 107 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1bjr h ILE 108 N 0.00 1.37 -0.78 9.51 2.04 -1.11 -1.97 117.51 126.56 1bjr h ILE 108 Ca 0.00 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 1bjr h ILE 108 Cb 0.18 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1bjr h ILE 108 CO 0.00 0.57 0.43 0.00 0.00 0.00 0.00 178.15 179.15 1bjr h ALA 109 N 0.44 1.00 -0.42 1.87 0.00 -1.38 -2.29 119.26 118.49 1bjr h ALA 109 Ca -0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1bjr h ALA 109 Cb 1.23 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1bjr h ALA 109 CO 0.12 0.51 0.03 0.78 0.00 0.00 0.00 179.25 180.69 1bjr h GLY 110 N 1.08 0.71 0.97 0.00 0.00 -1.41 0.61 103.07 105.02 1bjr h GLY 110 Ca 0.27 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1bjr h GLY 110 CO -0.04 0.40 0.10 -0.33 0.00 0.00 0.00 176.54 176.66 1bjr h MET 111 N 0.63 0.77 -0.03 4.80 2.07 -1.16 -2.99 114.93 119.02 1bjr h MET 111 Ca 0.13 -0.19 -0.09 0.00 -2.07 0.00 0.00 59.70 57.47 1bjr h MET 111 Cb 0.34 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 1bjr h MET 111 CO 0.01 0.77 -0.42 -0.44 1.07 0.00 0.00 176.91 177.89 1bjr h ASP 112 N 0.64 0.07 -0.74 1.22 3.32 -1.03 -2.83 116.42 117.07 1bjr h ASP 112 Ca 0.15 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1bjr h ASP 112 Cb 0.36 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1bjr h ASP 112 CO 0.01 0.49 0.24 0.15 -1.72 0.00 0.00 179.24 178.40 1bjr h PHE 113 N 0.06 1.18 -0.49 4.55 3.04 -0.83 -2.91 116.94 121.55 1bjr h PHE 113 Ca 0.00 -0.12 -0.11 0.00 3.98 0.00 0.00 57.97 61.72 1bjr h PHE 113 Cb 0.78 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 1bjr h PHE 113 CO 0.00 0.93 -0.14 0.28 -2.02 0.00 0.00 178.31 177.36 1bjr h VAL 114 N 1.09 1.27 -0.81 1.41 2.07 -1.36 0.85 116.25 120.76 1bjr h VAL 114 Ca 0.24 -1.28 0.18 0.00 0.82 0.00 0.00 66.70 66.66 1bjr h VAL 114 Cb 0.30 1.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 1bjr h VAL 114 CO -0.01 0.44 0.29 0.00 0.02 0.00 0.00 177.57 178.31 1bjr h ALA 115 N 1.00 1.18 0.14 1.67 0.00 -1.30 -2.02 119.26 119.92 1bjr h ALA 115 Ca 0.13 0.16 -0.34 0.00 0.00 0.00 0.00 54.91 54.86 1bjr h ALA 115 Cb 0.69 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1bjr h ALA 115 CO 0.05 -0.32 -1.74 0.66 0.00 0.00 0.00 179.25 177.90 1bjr h SER 116 N 0.35 0.47 -0.66 0.00 4.64 -1.50 -3.38 113.55 113.46 1bjr h SER 116 Ca 0.48 -0.77 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1bjr h SER 116 Cb 0.85 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 1bjr h SER 116 CO -0.51 1.66 0.40 -0.78 -0.87 0.00 0.00 176.83 176.73 1bjr h ASP 117 N 0.08 0.80 0.16 4.97 3.58 -0.48 -2.96 116.42 122.56 1bjr h ASP 117 Ca -0.33 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 1bjr h ASP 117 Cb 2.06 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.91 1bjr h ASP 117 CO 0.15 0.61 -0.03 0.07 -2.88 0.00 0.00 179.24 177.16 1bjr h LYS 118 N 0.92 0.00 0.00 0.28 -0.00 -1.56 -1.91 116.57 114.30 1bjr h LYS 118 Ca 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.84 1bjr h LYS 118 Cb -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.18 1bjr h LYS 118 CO -0.05 0.03 -0.26 -0.91 -0.00 0.00 0.00 179.45 178.27 1bjr h ASN 119 N 0.00 0.00 -0.52 7.07 -0.26 -1.76 -2.81 115.58 117.30 1bjr h ASN 119 Ca -0.00 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.43 1bjr h ASN 119 Cb 0.12 0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 37.19 1bjr h ASN 119 CO 0.00 0.26 -0.06 -0.46 -1.06 0.00 0.00 177.43 176.12 1bjr n ASN 120 N -4.02 3.46 -4.14 5.81 0.23 -0.72 -4.94 115.26 110.94 1bjr n ASN 120 Ca -0.02 -3.78 -0.28 0.00 -0.53 0.00 0.00 54.58 49.97 1bjr n ASN 120 Cb 0.33 -0.64 -0.17 0.00 -2.08 0.00 0.00 39.78 37.22 1bjr n ASN 120 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1bjr s ARG 121 N -3.38 2.29 -1.04 -3.83 1.81 -1.06 -5.08 118.95 108.66 1bjr s ARG 121 Ca 0.49 -0.67 -0.23 0.00 -1.72 0.00 0.00 55.73 53.60 1bjr s ARG 121 Cb 0.42 -1.83 0.03 0.00 -0.45 0.00 0.00 34.95 33.12 1bjr s ARG 121 CO 0.01 0.17 1.61 1.21 -0.68 0.00 0.00 175.30 177.61 1bjr s ASN 122 N 0.32 6.21 -0.57 0.23 2.47 -1.26 -4.83 114.94 117.51 1bjr s ASN 122 Ca -0.13 -1.42 0.05 0.00 0.42 0.00 0.00 52.86 51.78 1bjr s ASN 122 Cb -0.15 -2.57 0.19 0.00 -1.45 0.00 0.00 41.25 37.27 1bjr s ASN 122 CO 0.05 -1.78 0.49 0.00 -3.72 0.00 0.00 177.10 172.14 1bjr h PRO 124 N 5.12 0.00 -0.01 0.00 0.13 -1.67 -2.63 132.00 132.93 1bjr h PRO 124 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1bjr h PRO 124 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1bjr h PRO 124 CO 0.60 0.10 -0.39 1.63 -0.23 0.00 0.00 178.00 179.71 1bjr n LYS 125 N -4.22 0.70 0.00 0.86 4.01 0.31 -5.00 118.16 114.82 1bjr n LYS 125 Ca -0.03 -0.46 0.00 0.00 -0.51 0.00 0.00 58.31 57.31 1bjr n LYS 125 Cb 0.18 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 1bjr n LYS 125 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1bjr n GLY 126 N 1.39 2.56 2.97 0.72 0.00 -0.99 -4.42 105.19 107.42 1bjr n GLY 126 Ca 0.10 -2.11 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 1bjr n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bjr s VAL 127 N -1.96 0.95 0.16 1.61 1.01 -1.26 -1.50 120.40 119.42 1bjr s VAL 127 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 61.98 61.74 1bjr s VAL 127 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1bjr s VAL 127 CO 0.00 0.32 -0.25 -0.69 0.00 0.00 0.00 175.10 174.48 1bjr s VAL 128 N 0.88 2.30 -0.09 2.92 1.01 -0.25 -1.61 120.40 125.56 1bjr s VAL 128 Ca -0.11 -1.90 0.03 0.00 0.00 0.00 0.00 61.98 60.00 1bjr s VAL 128 Cb -0.15 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1bjr s VAL 128 CO 0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 175.10 174.90 1bjr s ALA 129 N -1.38 1.83 -0.22 5.51 0.00 0.24 -1.28 121.76 126.45 1bjr s ALA 129 Ca 0.17 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 1bjr s ALA 129 Cb -0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1bjr s ALA 129 CO 0.08 0.21 -0.03 0.45 0.00 0.00 0.00 175.76 176.47 1bjr s SER 130 N 0.49 4.39 -0.58 0.00 0.15 -0.58 -0.82 113.70 116.75 1bjr s SER 130 Ca -0.17 -0.37 0.04 0.00 0.70 0.00 0.00 55.95 56.15 1bjr s SER 130 Cb -0.17 -1.76 0.15 0.00 -1.71 0.00 0.00 66.02 62.53 1bjr s SER 130 CO 0.07 -0.02 0.35 -0.76 1.20 0.00 0.00 173.24 174.07 1bjr s LEU 131 N 1.49 4.25 -1.28 3.45 1.02 -0.23 -2.50 118.68 124.88 1bjr s LEU 131 Ca 0.06 -3.30 -0.10 0.00 0.02 0.00 0.00 54.13 50.81 1bjr s LEU 131 Cb -0.14 -1.54 0.17 0.00 0.02 0.00 0.00 46.19 44.70 1bjr s LEU 131 CO -0.02 -0.18 1.85 -1.20 0.02 0.00 0.00 176.35 176.81 1bjr n SER 132 N 2.71 5.09 -3.91 2.29 7.64 -1.26 -1.98 113.62 124.20 1bjr n SER 132 Ca 0.12 -3.10 -0.09 0.00 1.01 0.00 0.00 58.87 56.81 1bjr n SER 132 Cb 0.34 -1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.01 1bjr n SER 132 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1bjr s LEU 133 N 0.00 0.17 0.00 -3.43 2.34 -1.26 -4.95 118.68 111.55 1bjr s LEU 133 Ca 0.40 -0.76 0.00 0.00 0.06 0.00 0.00 54.13 53.83 1bjr s LEU 133 Cb 0.09 2.03 0.00 0.00 -0.56 0.00 0.00 46.19 47.75 1bjr s LEU 133 CO 0.00 -1.16 0.00 0.61 -1.06 0.00 0.00 176.35 174.75 1bjr n GLY 134 N -0.38 2.32 0.00 -3.48 0.00 -1.26 -4.50 105.19 97.89 1bjr n GLY 134 Ca -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1bjr n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjr n GLY 135 N -1.33 1.48 3.56 -0.02 0.00 -1.26 -4.99 105.19 102.63 1bjr n GLY 135 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1bjr n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjr n GLY 136 N 0.00 -1.04 3.67 -0.02 0.00 -1.26 -0.51 105.19 106.02 1bjr n GLY 136 Ca 0.00 -0.67 -0.46 0.00 0.00 0.00 0.00 46.02 44.89 1bjr n GLY 136 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bjr n TYR 137 N -3.70 2.30 -3.71 1.61 9.36 -0.52 -2.86 117.16 119.64 1bjr n TYR 137 Ca 0.10 0.22 -0.15 0.00 3.32 0.00 0.00 57.90 61.39 1bjr n TYR 137 Cb 0.52 -2.57 -0.15 0.00 -0.63 0.00 0.00 39.34 36.52 1bjr n TYR 137 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1bjr s SER 138 N 1.40 0.26 0.47 2.98 0.15 -1.26 -4.84 113.70 112.86 1bjr s SER 138 Ca 0.81 0.35 0.28 0.00 0.70 0.00 0.00 55.95 58.09 1bjr s SER 138 Cb -0.67 0.28 0.84 0.00 -1.71 0.00 0.00 66.02 64.76 1bjr s SER 138 CO 0.40 -0.20 1.79 -1.28 1.20 0.00 0.00 173.24 175.15 1bjr h SER 139 N 7.78 0.00 0.29 5.45 0.87 -1.98 -1.94 113.55 124.01 1bjr h SER 139 Ca -0.28 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.95 1bjr h SER 139 Cb 1.13 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.12 1bjr h SER 139 CO 0.28 0.00 -1.43 0.28 -0.53 0.00 0.00 176.83 175.44 1bjr h SER 140 N 0.00 0.81 -0.56 6.23 0.02 -1.98 -1.96 113.55 116.11 1bjr h SER 140 Ca 0.00 -0.85 -0.08 0.00 -0.84 0.00 0.00 61.79 60.02 1bjr h SER 140 Cb 0.75 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1bjr h SER 140 CO 0.00 1.66 0.04 0.58 -1.14 0.00 0.00 176.83 177.97 1bjr h VAL 141 N 0.16 1.26 -0.31 2.27 2.07 -1.91 -0.52 116.25 119.27 1bjr h VAL 141 Ca -0.23 -1.06 -0.14 0.00 0.82 0.00 0.00 66.70 66.08 1bjr h VAL 141 Cb 2.12 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1bjr h VAL 141 CO 0.26 0.39 -0.36 0.78 0.02 0.00 0.00 177.57 178.66 1bjr h ASN 142 N 0.92 0.85 -0.71 0.57 4.21 -1.44 -2.69 115.58 117.29 1bjr h ASN 142 Ca 0.17 -0.49 0.05 0.00 1.21 0.00 0.00 56.30 57.25 1bjr h ASN 142 Cb 0.48 -0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 37.39 1bjr h ASN 142 CO 0.02 1.17 0.42 0.28 -1.29 0.00 0.00 177.43 178.02 1bjr h SER 143 N 0.56 0.65 -0.46 5.81 0.02 -1.25 -1.22 113.55 117.65 1bjr h SER 143 Ca 0.04 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1bjr h SER 143 Cb 0.95 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1bjr h SER 143 CO 0.09 0.42 -0.04 0.00 -1.14 0.00 0.00 176.83 176.16 1bjr h ALA 144 N 1.35 0.95 -0.05 3.77 0.00 -0.93 -2.09 119.26 122.26 1bjr h ALA 144 Ca 0.31 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1bjr h ALA 144 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1bjr h ALA 144 CO -0.16 0.62 -0.63 0.00 0.00 0.00 0.00 179.25 179.09 1bjr h ALA 145 N 1.12 0.85 -0.73 0.00 0.00 -1.33 -1.76 119.26 117.41 1bjr h ALA 145 Ca 0.15 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1bjr h ALA 145 Cb 0.55 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1bjr h ALA 145 CO 0.03 0.75 0.24 0.00 0.00 0.00 0.00 179.25 180.27 1bjr h ALA 146 N 1.21 0.96 -0.49 0.00 0.00 -1.04 0.27 119.26 120.17 1bjr h ALA 146 Ca -0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1bjr h ALA 146 Cb 1.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1bjr h ALA 146 CO 0.09 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.97 1bjr h ARG 147 N 1.08 0.87 0.11 0.00 3.08 -1.28 0.14 114.38 118.37 1bjr h ARG 147 Ca 0.24 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1bjr h ARG 147 Cb 0.29 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1bjr h ARG 147 CO -0.01 0.91 -0.05 1.25 -1.07 0.00 0.00 179.97 181.00 1bjr h LEU 148 N 0.73 -0.12 -0.42 3.04 5.85 -1.08 0.28 115.31 123.58 1bjr h LEU 148 Ca 0.14 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1bjr h LEU 148 Cb 0.52 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1bjr h LEU 148 CO 0.03 0.01 0.08 -0.61 -0.34 0.00 0.00 178.44 177.62 1bjr h GLN 149 N -0.26 0.21 -0.01 1.25 5.75 -0.90 -1.35 115.11 119.80 1bjr h GLN 149 Ca -0.02 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1bjr h GLN 149 Cb 0.21 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.71 1bjr h GLN 149 CO 0.02 0.14 0.00 0.77 -2.65 0.00 0.00 178.83 177.11 1bjr h SER 150 N 0.22 0.02 0.32 -0.69 0.02 -0.53 -0.66 113.55 112.25 1bjr h SER 150 Ca 0.20 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1bjr h SER 150 Cb 0.25 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1bjr h SER 150 CO -0.27 0.02 0.00 -1.54 -1.14 0.00 0.00 176.83 173.90 1bjr n SER 151 N -4.53 0.00 0.00 3.07 3.41 0.96 -4.82 113.62 111.71 1bjr n SER 151 Ca -0.03 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1bjr n SER 151 Cb 0.10 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1bjr n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bjr n GLY 152 N 0.21 1.62 3.16 5.00 0.00 -0.26 -5.10 105.19 109.82 1bjr n GLY 152 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1bjr n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bjr s VAL 153 N -2.00 1.97 -0.48 1.61 1.01 -1.17 -4.59 120.40 116.75 1bjr s VAL 153 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 1bjr s VAL 153 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1bjr s VAL 153 CO 0.00 0.53 1.52 -0.32 0.00 0.00 0.00 175.10 176.83 1bjr s MET 154 N 0.79 3.33 -0.38 2.72 1.75 -0.64 -4.09 119.30 122.79 1bjr s MET 154 Ca -0.08 0.79 -0.15 0.00 -1.25 0.00 0.00 55.69 55.00 1bjr s MET 154 Cb -0.16 -4.13 0.00 0.00 2.84 0.00 0.00 34.83 33.39 1bjr s MET 154 CO -0.01 -1.88 0.33 0.08 -0.65 0.00 0.00 175.02 172.90 1bjr s VAL 155 N 6.29 5.21 -0.19 10.11 1.01 -1.26 0.83 120.40 142.39 1bjr s VAL 155 Ca 0.61 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1bjr s VAL 155 Cb -0.14 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1bjr s VAL 155 CO 0.29 -0.21 0.04 0.00 0.00 0.00 0.00 175.10 175.22 1bjr s ALA 156 N 1.88 3.29 0.08 5.51 0.00 -0.00 0.37 121.76 132.89 1bjr s ALA 156 Ca 0.08 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1bjr s ALA 156 Cb -0.18 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 1bjr s ALA 156 CO 0.11 0.09 -0.17 0.14 0.00 0.00 0.00 175.76 175.93 1bjr s VAL 157 N 0.54 1.40 0.44 0.00 -7.23 0.22 -1.07 120.40 114.71 1bjr s VAL 157 Ca 0.02 -1.39 -0.24 0.00 -1.81 0.00 0.00 61.98 58.56 1bjr s VAL 157 Cb -0.13 -1.30 -0.08 0.00 0.56 0.00 0.00 36.38 35.44 1bjr s VAL 157 CO 0.01 -0.12 1.25 0.00 -0.31 0.00 0.00 175.10 175.93 1bjr s ALA 158 N -1.18 3.08 0.19 1.32 0.00 -0.84 0.45 121.76 124.78 1bjr s ALA 158 Ca 0.02 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.16 1bjr s ALA 158 Cb -0.10 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.64 1bjr s ALA 158 CO 0.03 -0.81 1.44 0.00 0.00 0.00 0.00 175.76 176.42 1bjr h ALA 159 N 2.28 0.65 0.00 0.00 0.00 -0.28 -3.41 119.26 118.50 1bjr h ALA 159 Ca -0.50 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1bjr h ALA 159 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1bjr h ALA 159 CO 0.61 0.96 0.00 0.41 0.00 0.00 0.00 179.25 181.23 1bjr n GLY 160 N 0.77 3.70 1.64 0.00 0.00 -1.26 -4.67 105.19 105.37 1bjr n GLY 160 Ca -0.02 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 1bjr n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bjr n ASN 161 N 0.00 4.93 -0.03 1.61 4.13 -1.26 -1.43 115.26 123.21 1bjr n ASN 161 Ca 0.00 -2.75 0.07 0.00 1.68 0.00 0.00 54.58 53.58 1bjr n ASN 161 Cb 0.00 -0.88 -0.08 0.00 -1.54 0.00 0.00 39.78 37.28 1bjr n ASN 161 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bjr n ASN 162 N 0.34 0.77 -3.89 6.41 3.02 -0.66 -4.73 115.26 116.52 1bjr n ASN 162 Ca 0.22 -0.89 -0.27 0.00 -0.03 0.00 0.00 54.58 53.61 1bjr n ASN 162 Cb 0.71 0.96 0.01 0.00 -0.61 0.00 0.00 39.78 40.85 1bjr n ASN 162 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1bjr n ASN 163 N -1.27 -2.45 -2.68 6.41 5.15 0.52 -4.92 115.26 116.02 1bjr n ASN 163 Ca 0.03 -0.87 -0.14 0.00 -0.60 0.00 0.00 54.58 53.00 1bjr n ASN 163 Cb 0.24 -3.61 -0.05 0.00 -0.53 0.00 0.00 39.78 35.83 1bjr n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bjr n ALA 164 N -4.46 0.24 -2.09 5.20 0.00 -1.26 -4.93 120.51 113.21 1bjr n ALA 164 Ca -0.14 -1.43 -0.42 0.00 0.00 0.00 0.00 53.44 51.45 1bjr n ALA 164 Cb 0.61 1.16 -0.03 0.00 0.00 0.00 0.00 19.45 21.18 1bjr n ALA 164 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bjr s ASP 165 N -2.78 6.74 0.00 0.00 -1.08 -1.26 -2.03 116.67 116.26 1bjr s ASP 165 Ca 0.28 2.39 0.13 0.00 -0.52 0.00 0.00 52.55 54.83 1bjr s ASP 165 Cb 0.01 -2.58 0.61 0.00 -1.46 0.00 0.00 42.92 39.50 1bjr s ASP 165 CO 0.20 -0.73 1.37 0.00 0.52 0.00 0.00 175.17 176.53 1bjr n ALA 166 N 4.32 1.69 0.30 3.66 0.00 0.34 -3.25 120.51 127.57 1bjr n ALA 166 Ca 0.13 -0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.69 1bjr n ALA 166 Cb 0.41 -1.21 0.97 0.00 0.00 0.00 0.00 19.45 19.63 1bjr n ALA 166 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1bjr h ARG 167 N 0.00 0.00 -0.62 0.00 0.11 -1.91 -1.88 114.38 110.08 1bjr h ARG 167 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bjr h ARG 167 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1bjr h ARG 167 CO 0.00 0.03 0.00 0.09 0.10 0.00 0.00 179.97 180.19 1bjr n ASN 168 N -3.43 3.72 -4.39 0.08 5.03 -1.20 -4.79 115.26 110.28 1bjr n ASN 168 Ca -0.02 -2.22 -0.31 0.00 0.87 0.00 0.00 54.58 52.90 1bjr n ASN 168 Cb 0.13 -0.48 -0.14 0.00 -1.02 0.00 0.00 39.78 38.27 1bjr n ASN 168 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1bjr s TYR 169 N -1.55 2.46 0.00 3.10 2.02 -0.71 -1.44 117.35 121.23 1bjr s TYR 169 Ca 0.42 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 1bjr s TYR 169 Cb 0.25 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 40.33 1bjr s TYR 169 CO 0.23 0.13 0.00 0.43 -1.57 0.00 0.00 175.55 174.77 1bjr n SER 170 N 1.99 0.00 0.01 2.29 7.64 0.33 -1.74 113.62 124.13 1bjr n SER 170 Ca -0.16 0.00 0.23 0.00 1.01 0.00 0.00 58.87 59.94 1bjr n SER 170 Cb 0.52 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.42 1bjr n SER 170 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1bjr h PRO 171 N 0.00 0.00 -0.76 1.43 0.11 -1.87 -0.32 132.00 130.59 1bjr h PRO 171 Ca 0.00 0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.28 1bjr h PRO 171 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.00 1bjr h PRO 171 CO 0.00 0.00 0.21 0.00 -0.21 0.00 0.00 178.00 178.00 1bjr h ALA 172 N 1.37 1.02 0.00 -0.75 0.00 -1.77 -0.63 119.26 118.50 1bjr h ALA 172 Ca 0.27 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1bjr h ALA 172 Cb 1.44 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1bjr h ALA 172 CO -0.00 -0.33 0.00 -1.13 0.00 0.00 0.00 179.25 177.79 1bjr n SER 173 N -5.14 0.01 -4.63 0.00 3.41 -0.13 -4.73 113.62 102.41 1bjr n SER 173 Ca 0.15 0.50 -0.43 0.00 -0.26 0.00 0.00 58.87 58.84 1bjr n SER 173 Cb 0.48 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 1bjr n SER 173 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1bjr s GLU 174 N -3.00 3.69 0.57 4.33 2.56 -0.25 -4.85 118.70 121.74 1bjr s GLU 174 Ca 0.12 2.12 0.34 0.00 0.00 0.00 0.00 54.97 57.55 1bjr s GLU 174 Cb 0.16 -4.19 1.66 0.00 2.00 0.00 0.00 34.13 33.75 1bjr s GLU 174 CO 0.45 -1.45 2.11 -1.35 -0.56 0.00 0.00 175.26 174.45 1bjr h PRO 175 N 12.16 0.00 0.00 4.30 0.11 -1.88 -3.12 132.00 143.57 1bjr h PRO 175 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1bjr h PRO 175 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1bjr h PRO 175 CO 0.97 0.05 -0.67 -1.13 -0.21 0.00 0.00 178.00 177.01 1bjr n SER 176 N -3.28 0.62 -4.67 -2.05 3.41 -1.26 -4.90 113.62 101.48 1bjr n SER 176 Ca -0.01 -0.35 -0.24 0.00 -0.26 0.00 0.00 58.87 58.01 1bjr n SER 176 Cb 0.23 0.45 0.11 0.00 -0.26 0.00 0.00 64.21 64.74 1bjr n SER 176 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1bjr s VAL 177 N -3.04 2.15 -0.44 -3.33 -7.23 -1.18 -4.97 120.40 102.37 1bjr s VAL 177 Ca 0.09 -0.57 -0.15 0.00 -1.81 0.00 0.00 61.98 59.55 1bjr s VAL 177 Cb 0.17 -2.58 0.05 0.00 0.56 0.00 0.00 36.38 34.57 1bjr s VAL 177 CO 0.74 0.00 0.33 0.00 -0.31 0.00 0.00 175.10 175.87 1bjr s THR 179 N 1.64 5.12 -0.19 0.00 2.01 -1.26 0.73 115.64 123.69 1bjr s THR 179 Ca 0.04 0.73 -0.03 0.00 0.31 0.00 0.00 61.69 62.74 1bjr s THR 179 Cb -0.21 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1bjr s THR 179 CO 0.08 0.12 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.39 1bjr s VAL 180 N 2.16 3.43 0.45 3.82 1.01 0.17 -1.64 120.40 129.80 1bjr s VAL 180 Ca 0.18 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1bjr s VAL 180 Cb -0.16 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1bjr s VAL 180 CO 0.09 0.45 0.62 -0.83 0.00 0.00 0.00 175.10 175.43 1bjr s GLY 181 N 1.11 1.92 0.08 4.51 0.00 -0.91 0.44 107.32 114.47 1bjr s GLY 181 Ca 0.01 -1.65 0.07 0.00 0.00 0.00 0.00 44.72 43.16 1bjr s GLY 181 CO -0.01 -1.43 -0.12 0.00 0.00 0.00 0.00 173.10 171.54 1bjr s ALA 182 N -2.44 2.85 0.17 3.20 0.00 -1.26 -1.66 121.76 122.62 1bjr s ALA 182 Ca 0.56 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 51.35 1bjr s ALA 182 Cb -0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1bjr s ALA 182 CO 0.34 0.62 -0.12 -1.54 0.00 0.00 0.00 175.76 175.06 1bjr s SER 183 N -1.98 2.14 0.47 0.00 1.04 0.03 -0.82 113.70 114.59 1bjr s SER 183 Ca 0.19 -1.00 0.06 0.00 0.48 0.00 0.00 55.95 55.67 1bjr s SER 183 Cb -0.11 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.00 1bjr s SER 183 CO 0.11 -0.25 0.46 -0.90 0.98 0.00 0.00 173.24 173.64 1bjr n ASP 184 N -0.23 2.26 -0.24 7.02 5.68 -0.26 -1.12 116.55 129.66 1bjr n ASP 184 Ca -0.10 -2.51 0.15 0.00 -0.50 0.00 0.00 54.79 51.84 1bjr n ASP 184 Cb 0.60 -0.14 0.45 0.00 -1.14 0.00 0.00 41.12 40.89 1bjr n ASP 184 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1bjr h ARG 185 N 0.00 0.53 -0.66 0.11 2.43 -1.88 -2.35 114.38 112.55 1bjr h ARG 185 Ca -0.27 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 1bjr h ARG 185 Cb 1.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1bjr h ARG 185 CO 0.42 0.35 0.01 0.66 -1.51 0.00 0.00 179.97 179.90 1bjr n TYR 186 N -4.54 1.77 -3.19 2.20 4.01 -1.26 -4.53 117.16 111.62 1bjr n TYR 186 Ca 0.18 -0.63 -0.23 0.00 -0.16 0.00 0.00 57.90 57.06 1bjr n TYR 186 Cb 0.57 -0.46 0.05 0.00 -0.31 0.00 0.00 39.34 39.18 1bjr n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1bjr n ASP 187 N 0.49 -6.13 -4.65 7.72 8.00 -0.88 -4.90 116.55 116.19 1bjr n ASP 187 Ca 0.24 -0.36 -0.32 0.00 0.71 0.00 0.00 54.79 55.06 1bjr n ASP 187 Cb 1.06 -4.92 -0.09 0.00 -0.02 0.00 0.00 41.12 37.14 1bjr n ASP 187 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1bjr s ARG 188 N -5.88 2.67 0.27 -1.24 0.52 -1.26 -1.15 118.95 112.88 1bjr s ARG 188 Ca 0.38 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 1bjr s ARG 188 Cb -0.17 -2.60 -0.13 0.00 0.52 0.00 0.00 34.95 32.58 1bjr s ARG 188 CO 0.47 0.61 1.39 -2.13 0.02 0.00 0.00 175.30 175.66 1bjr n ARG 189 N 1.37 2.12 -1.81 3.54 0.63 -0.82 -1.10 116.66 120.59 1bjr n ARG 189 Ca -0.14 0.75 -0.39 0.00 -0.92 0.00 0.00 57.85 57.15 1bjr n ARG 189 Cb 0.53 -2.39 0.03 0.00 0.45 0.00 0.00 32.46 31.07 1bjr n ARG 189 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1bjr s SER 190 N 0.13 5.53 0.35 6.15 0.01 0.00 -4.71 113.70 121.17 1bjr s SER 190 Ca 0.64 2.80 0.03 0.00 1.31 0.00 0.00 55.95 60.73 1bjr s SER 190 Cb -0.61 -2.64 0.65 0.00 0.21 0.00 0.00 66.02 63.63 1bjr s SER 190 CO 0.53 -1.40 2.00 0.77 0.41 0.00 0.00 173.24 175.55 1bjr h SER 191 N 1.80 0.73 1.45 2.44 4.64 -1.90 -2.48 113.55 120.22 1bjr h SER 191 Ca -0.51 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1bjr h SER 191 Cb 1.29 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1bjr h SER 191 CO 0.59 0.51 -0.26 2.19 -0.87 0.00 0.00 176.83 178.99 1bjr h PHE 192 N 0.85 0.00 -3.08 4.77 -5.15 -1.90 -3.42 116.94 109.00 1bjr h PHE 192 Ca 0.26 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.50 1bjr h PHE 192 Cb -0.01 0.00 0.07 0.00 0.22 0.00 0.00 35.95 36.23 1bjr h PHE 192 CO -0.00 0.00 0.91 0.45 -2.00 0.00 0.00 178.31 177.67 1bjr s SER 193 N -5.07 6.43 0.80 -0.68 0.15 -0.94 -0.36 113.70 114.03 1bjr s SER 193 Ca 0.07 2.86 -0.11 0.00 0.70 0.00 0.00 55.95 59.47 1bjr s SER 193 Cb 0.10 -2.62 0.07 0.00 -1.71 0.00 0.00 66.02 61.86 1bjr s SER 193 CO 0.67 -0.90 1.09 0.20 1.20 0.00 0.00 173.24 175.50 1bjr s ASN 194 N 0.76 4.45 0.00 5.45 0.02 -0.52 -3.86 114.94 121.25 1bjr s ASN 194 Ca 0.67 1.40 0.00 0.00 -1.02 0.00 0.00 52.86 53.91 1bjr s ASN 194 Cb -0.47 -2.15 0.00 0.00 0.02 0.00 0.00 41.25 38.65 1bjr s ASN 194 CO 0.41 -2.01 0.00 0.00 0.02 0.00 0.00 177.10 175.52 1bjr n TYR 195 N -3.47 -0.02 0.00 2.20 0.18 -0.86 -4.78 117.16 110.42 1bjr n TYR 195 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 1bjr n TYR 195 Cb 0.56 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 1bjr n TYR 195 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1bjr n GLY 196 N 0.00 3.18 0.06 -7.48 0.00 -1.26 -0.51 105.19 99.19 1bjr n GLY 196 Ca 0.00 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.18 1bjr n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bjr n SER 197 N 0.00 0.36 0.21 1.61 3.41 -1.24 -2.86 113.62 115.12 1bjr n SER 197 Ca 0.00 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1bjr n SER 197 Cb 0.00 -0.66 0.38 0.00 -0.26 0.00 0.00 64.21 63.68 1bjr n SER 197 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1bjr h VAL 198 N 0.00 0.57 -4.10 -3.33 3.04 -1.88 -3.45 116.25 107.11 1bjr h VAL 198 Ca 0.00 -1.27 -0.53 0.00 -1.01 0.00 0.00 66.70 63.88 1bjr h VAL 198 Cb 0.38 1.87 0.12 0.00 -2.01 0.00 0.00 31.29 31.66 1bjr h VAL 198 CO 0.00 0.25 0.48 -0.76 -1.01 0.00 0.00 177.57 176.53 1bjr s LEU 199 N -6.70 3.66 -0.08 3.16 1.02 -1.13 -4.62 118.68 113.99 1bjr s LEU 199 Ca 0.01 2.44 0.07 0.00 0.02 0.00 0.00 54.13 56.67 1bjr s LEU 199 Cb 0.10 -4.59 -0.10 0.00 0.02 0.00 0.00 46.19 41.62 1bjr s LEU 199 CO 0.65 -1.65 0.02 0.47 0.02 0.00 0.00 176.35 175.87 1bjr n ASP 200 N -1.60 2.94 -3.46 2.29 9.92 -0.65 -4.68 116.55 121.30 1bjr n ASP 200 Ca 0.14 -0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.27 1bjr n ASP 200 Cb 0.49 0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 41.60 1bjr n ASP 200 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1bjr s ILE 201 N -2.20 0.01 0.05 0.53 1.10 -1.23 -4.75 121.20 114.71 1bjr s ILE 201 Ca -0.05 -0.09 0.08 0.00 -0.51 0.00 0.00 60.65 60.08 1bjr s ILE 201 Cb 0.03 -1.02 -0.03 0.00 0.15 0.00 0.00 42.46 41.58 1bjr s ILE 201 CO 0.34 -0.05 -0.22 -0.36 -2.11 0.00 0.00 174.94 172.53 1bjr s PHE 202 N -3.55 2.44 0.18 3.50 0.40 -0.54 -2.13 117.98 118.27 1bjr s PHE 202 Ca 0.00 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1bjr s PHE 202 Cb -0.01 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 1bjr s PHE 202 CO -0.11 0.21 0.04 0.20 0.70 0.00 0.00 175.22 176.27 1bjr s GLY 203 N -1.44 1.29 0.00 4.36 0.00 -0.66 -1.06 107.32 109.81 1bjr s GLY 203 Ca 0.13 -1.63 -0.30 0.00 0.00 0.00 0.00 44.72 42.92 1bjr s GLY 203 CO 0.04 -1.50 1.74 -4.14 0.00 0.00 0.00 173.10 169.25 1bjr s PRO 204 N -3.99 4.17 0.00 2.90 0.02 -1.26 -0.79 135.00 136.05 1bjr s PRO 204 Ca 0.28 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1bjr s PRO 204 Cb 0.07 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 30.65 1bjr s PRO 204 CO 0.06 -0.85 0.30 0.41 -0.33 0.00 0.00 177.00 176.59 1bjr n GLY 205 N 4.21 -0.15 3.33 0.52 0.00 -0.27 -3.22 105.19 109.61 1bjr n GLY 205 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1bjr n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bjr s THR 206 N -0.09 3.33 -1.06 2.61 2.01 -1.17 0.16 115.64 121.42 1bjr s THR 206 Ca 0.00 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 1bjr s THR 206 Cb 0.00 -2.50 -0.06 0.00 0.01 0.00 0.00 72.50 69.95 1bjr s THR 206 CO 0.00 0.44 0.90 -0.24 -0.69 0.00 0.00 174.62 175.04 1bjr n SER 207 N 4.53 -6.42 -4.46 3.53 2.88 -1.22 -4.72 113.62 107.74 1bjr n SER 207 Ca -0.18 -0.75 -0.41 0.00 -1.33 0.00 0.00 58.87 56.19 1bjr n SER 207 Cb 0.51 -4.97 -0.11 0.00 -0.75 0.00 0.00 64.21 58.89 1bjr n SER 207 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1bjr s ILE 208 N -3.40 5.06 -0.11 2.46 -1.09 -0.28 -4.85 121.20 118.99 1bjr s ILE 208 Ca 0.46 -0.56 -0.25 0.00 -2.23 0.00 0.00 60.65 58.06 1bjr s ILE 208 Cb -0.07 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.04 1bjr s ILE 208 CO 0.76 -0.18 0.80 -0.22 -1.23 0.00 0.00 174.94 174.87 1bjr s LEU 209 N 1.66 4.25 0.00 2.97 2.96 -1.26 -1.94 118.68 127.32 1bjr s LEU 209 Ca 0.05 1.24 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 1bjr s LEU 209 Cb -0.18 -3.22 0.00 0.00 0.50 0.00 0.00 46.19 43.29 1bjr s LEU 209 CO 0.09 -0.28 0.00 -0.24 -1.32 0.00 0.00 176.35 174.60 1bjr n SER 210 N 4.54 0.00 -4.79 3.68 2.88 -0.15 -4.88 113.62 114.90 1bjr n SER 210 Ca 0.03 -0.78 -0.35 0.00 -1.33 0.00 0.00 58.87 56.44 1bjr n SER 210 Cb 0.50 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 1bjr n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1bjr s THR 211 N -2.31 3.57 0.15 2.46 -4.23 -1.26 -1.35 115.64 112.66 1bjr s THR 211 Ca 0.00 1.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.55 1bjr s THR 211 Cb 0.00 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 1bjr s THR 211 CO 0.00 -0.18 -0.04 0.86 -0.54 0.00 0.00 174.62 174.72 1bjr s TRP 212 N -1.86 1.14 0.58 3.99 -0.11 0.38 -2.81 118.94 120.25 1bjr s TRP 212 Ca 0.68 -0.93 -0.20 0.00 1.22 0.00 0.00 56.10 56.87 1bjr s TRP 212 Cb -0.20 -0.63 -0.04 0.00 -1.50 0.00 0.00 33.47 31.10 1bjr s TRP 212 CO 0.23 -0.12 1.24 0.44 -4.62 0.00 0.00 176.95 174.13 1bjr n ILE 213 N -0.18 4.09 -0.79 5.86 -5.35 -1.26 -2.41 119.36 119.33 1bjr n ILE 213 Ca -0.09 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1bjr n ILE 213 Cb 0.62 -1.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.03 1bjr n ILE 213 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bjr n GLY 214 N 0.94 1.15 2.48 3.28 0.00 -1.26 -4.05 105.19 107.73 1bjr n GLY 214 Ca 0.13 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1bjr n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjr n GLY 215 N -1.32 0.71 0.49 -0.02 0.00 -1.24 -4.96 105.19 98.85 1bjr n GLY 215 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 1bjr n GLY 215 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bjr n SER 216 N -1.54 2.01 -4.39 1.61 3.41 -1.01 -4.96 113.62 108.74 1bjr n SER 216 Ca -0.22 -1.29 -0.20 0.00 -0.26 0.00 0.00 58.87 56.90 1bjr n SER 216 Cb 0.67 0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.55 1bjr n SER 216 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1bjr s THR 217 N -1.08 1.25 -0.15 6.66 -4.23 -1.26 0.14 115.64 116.96 1bjr s THR 217 Ca 0.01 -2.05 -0.30 0.00 -1.18 0.00 0.00 61.69 58.17 1bjr s THR 217 Cb -0.00 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.44 1bjr s THR 217 CO 0.00 -0.22 0.93 -0.60 -0.54 0.00 0.00 174.62 174.20 1bjr s ARG 218 N -3.84 0.68 -0.18 3.99 3.52 -0.46 -4.63 118.95 118.03 1bjr s ARG 218 Ca 0.31 0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 56.12 1bjr s ARG 218 Cb 0.06 0.32 -0.00 0.00 -1.56 0.00 0.00 34.95 33.77 1bjr s ARG 218 CO 0.12 -0.20 -0.11 0.45 -0.81 0.00 0.00 175.30 174.74 1bjr s SER 219 N -0.98 3.90 0.14 -2.12 0.15 -1.26 -0.98 113.70 112.55 1bjr s SER 219 Ca -0.03 -0.44 -0.06 0.00 0.70 0.00 0.00 55.95 56.12 1bjr s SER 219 Cb -0.01 -1.63 -0.02 0.00 -1.71 0.00 0.00 66.02 62.65 1bjr s SER 219 CO 0.03 0.05 0.18 0.27 1.20 0.00 0.00 173.24 174.97 1bjr s ILE 220 N 1.04 0.10 0.19 6.45 -4.36 -0.82 -4.85 121.20 118.95 1bjr s ILE 220 Ca -0.01 -1.54 0.10 0.00 -0.26 0.00 0.00 60.65 58.94 1bjr s ILE 220 Cb -0.15 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.71 1bjr s ILE 220 CO -0.02 -0.44 -0.15 -0.44 0.24 0.00 0.00 174.94 174.13 1bjr s SER 221 N -2.97 3.93 0.00 4.36 0.01 -1.26 -1.12 113.70 116.64 1bjr s SER 221 Ca 0.17 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1bjr s SER 221 Cb 0.05 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1bjr s SER 221 CO -0.02 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1bjr n GLY 222 N 0.09 3.41 0.01 3.44 0.00 0.41 -4.87 105.19 107.68 1bjr n GLY 222 Ca -0.11 -1.26 0.02 0.00 0.00 0.00 0.00 46.02 44.67 1bjr n GLY 222 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bjr n THR 223 N -1.49 1.77 0.08 2.61 -2.24 -1.26 -1.49 114.28 112.26 1bjr n THR 223 Ca 0.00 0.47 -0.14 0.00 -2.27 0.00 0.00 64.05 62.11 1bjr n THR 223 Cb 0.00 -1.43 -0.07 0.00 -2.10 0.00 0.00 70.33 66.73 1bjr n THR 223 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1bjr h SER 224 N 0.00 0.47 1.40 3.42 0.02 -1.90 -1.84 113.55 115.11 1bjr h SER 224 Ca 0.00 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 1bjr h SER 224 Cb 0.05 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1bjr h SER 224 CO 0.00 1.25 -0.09 0.24 -1.14 0.00 0.00 176.83 177.10 1bjr h MET 225 N 0.16 0.00 0.19 3.45 2.86 -1.54 -3.31 114.93 116.74 1bjr h MET 225 Ca -0.10 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.23 1bjr h MET 225 Cb 1.71 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.39 1bjr h MET 225 CO 0.18 0.09 -1.53 0.00 1.06 0.00 0.00 176.91 176.70 1bjr h ALA 226 N 1.91 0.05 0.09 6.32 0.00 -1.44 -3.29 119.26 122.91 1bjr h ALA 226 Ca -0.00 -1.02 0.01 0.00 0.00 0.00 0.00 54.91 53.91 1bjr h ALA 226 Cb 0.81 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1bjr h ALA 226 CO 0.01 0.84 -0.53 1.15 0.00 0.00 0.00 179.25 180.71 1bjr h THR 227 N -0.01 0.00 -0.04 0.00 2.02 -1.42 -2.20 112.91 111.26 1bjr h THR 227 Ca -0.30 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.90 1bjr h THR 227 Cb 2.01 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1bjr h THR 227 CO 0.18 0.00 0.06 1.55 0.37 0.00 0.00 175.52 177.68 1bjr h PRO 228 N -0.73 0.00 -0.19 6.66 0.13 -1.72 0.14 132.00 136.28 1bjr h PRO 228 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1bjr h PRO 228 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1bjr h PRO 228 CO -0.31 0.00 -0.02 0.45 -0.23 0.00 0.00 178.00 177.89 1bjr h HIS 229 N 0.00 0.39 0.00 1.56 3.86 -1.47 -0.31 115.15 119.18 1bjr h HIS 229 Ca 0.02 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.06 1bjr h HIS 229 Cb 0.14 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1bjr h HIS 229 CO 0.00 0.58 -0.45 -0.39 0.86 0.00 0.00 177.93 178.53 1bjr h VAL 230 N 0.09 0.97 -0.62 2.45 -1.51 -1.10 -2.03 116.25 114.50 1bjr h VAL 230 Ca 0.05 -1.80 -0.07 0.00 -1.23 0.00 0.00 66.70 63.66 1bjr h VAL 230 Cb 0.44 2.08 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 1bjr h VAL 230 CO 0.01 0.44 0.13 0.00 -1.23 0.00 0.00 177.57 176.92 1bjr h ALA 231 N 1.55 0.82 0.01 5.19 0.00 -0.60 -1.48 119.26 124.75 1bjr h ALA 231 Ca -0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 1bjr h ALA 231 Cb 1.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1bjr h ALA 231 CO 0.06 0.56 -0.87 0.78 0.00 0.00 0.00 179.25 179.78 1bjr h GLY 232 N 0.93 0.10 1.00 0.00 0.00 -1.04 -2.90 103.07 101.15 1bjr h GLY 232 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bjr h GLY 232 CO 0.01 0.16 0.36 -2.00 0.00 0.00 0.00 176.54 175.07 1bjr h LEU 233 N 0.05 0.73 0.46 3.11 5.85 -1.08 -1.26 115.31 123.17 1bjr h LEU 233 Ca -0.03 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1bjr h LEU 233 Cb 1.51 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1bjr h LEU 233 CO 0.12 0.59 -0.28 0.00 -0.34 0.00 0.00 178.44 178.52 1bjr h ALA 234 N 1.18 -0.71 -0.88 1.25 0.00 -1.26 0.30 119.26 119.13 1bjr h ALA 234 Ca 0.22 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1bjr h ALA 234 Cb -0.01 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1bjr h ALA 234 CO -0.04 -0.91 0.53 0.00 0.00 0.00 0.00 179.25 178.83 1bjr h ALA 235 N -0.22 1.26 -0.54 0.00 0.00 -1.42 0.82 119.26 119.16 1bjr h ALA 235 Ca -0.05 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1bjr h ALA 235 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1bjr h ALA 235 CO 0.05 0.20 0.10 -0.92 0.00 0.00 0.00 179.25 178.69 1bjr h TYR 236 N 0.92 0.93 -0.25 0.00 3.20 -1.00 0.50 116.97 121.26 1bjr h TYR 236 Ca 0.41 -0.12 -0.16 0.00 3.14 0.00 0.00 58.73 62.00 1bjr h TYR 236 Cb 0.31 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1bjr h TYR 236 CO -0.04 0.82 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.74 1bjr h LEU 237 N 0.77 0.75 -0.54 2.82 3.38 0.13 -1.25 115.31 121.36 1bjr h LEU 237 Ca 0.16 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 1bjr h LEU 237 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1bjr h LEU 237 CO 0.01 1.11 -0.31 0.24 0.09 0.00 0.00 178.44 179.58 1bjr h MET 238 N 0.54 0.84 0.00 1.13 2.86 0.63 -2.60 114.93 118.33 1bjr h MET 238 Ca 0.02 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.25 1bjr h MET 238 Cb 1.05 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1bjr h MET 238 CO 0.10 1.03 -0.08 1.79 1.06 0.00 0.00 176.91 180.81 1bjr h THR 239 N 0.71 0.18 0.00 2.22 1.35 -0.74 -1.79 112.91 114.84 1bjr h THR 239 Ca 0.08 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1bjr h THR 239 Cb 0.86 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1bjr h THR 239 CO 0.08 0.08 0.00 -0.07 -0.25 0.00 0.00 175.52 175.35 1bjr h LEU 240 N 0.00 0.00 0.00 3.87 4.07 -0.87 -3.47 115.31 118.91 1bjr h LEU 240 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bjr h LEU 240 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1bjr h LEU 240 CO 0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 1bjr n GLY 241 N 0.53 0.88 0.24 0.83 0.00 -0.67 -4.94 105.19 102.06 1bjr n GLY 241 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1bjr n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bjr h LYS 242 N 3.67 0.00 -2.95 1.61 6.56 -1.71 -3.47 116.57 120.28 1bjr h LYS 242 Ca 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.64 1bjr h LYS 242 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 1bjr h LYS 242 CO 0.00 0.18 0.27 -0.08 -2.06 0.00 0.00 179.45 177.75 1bjr s THR 243 N -3.90 0.00 0.36 -0.16 -1.32 -1.25 -5.03 115.64 104.34 1bjr s THR 243 Ca -0.01 -0.97 0.05 0.00 -1.21 0.00 0.00 61.69 59.55 1bjr s THR 243 Cb 0.12 -2.32 -0.03 0.00 -1.51 0.00 0.00 72.50 68.76 1bjr s THR 243 CO 0.61 0.00 0.20 0.42 -2.21 0.00 0.00 174.62 173.63 1bjr s THR 244 N -3.30 0.30 0.23 5.08 -4.23 -1.26 -4.42 115.64 108.04 1bjr s THR 244 Ca 0.13 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.58 1bjr s THR 244 Cb -0.05 -2.42 0.20 0.00 1.34 0.00 0.00 72.50 71.57 1bjr s THR 244 CO 0.08 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.87 1bjr h ALA 245 N 1.98 0.91 -0.42 3.99 0.00 -1.89 0.86 119.26 124.69 1bjr h ALA 245 Ca -0.31 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1bjr h ALA 245 Cb 1.25 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1bjr h ALA 245 CO 0.47 -0.28 -0.23 0.00 0.00 0.00 0.00 179.25 179.22 1bjr h ALA 246 N 1.54 0.81 0.00 0.00 0.00 -1.90 -3.32 119.26 116.39 1bjr h ALA 246 Ca 0.38 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bjr h ALA 246 Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bjr h ALA 246 CO -0.43 0.65 -1.08 -1.13 0.00 0.00 0.00 179.25 177.25 1bjr n SER 247 N -4.11 0.75 -0.22 0.00 3.41 -0.91 -4.71 113.62 107.83 1bjr n SER 247 Ca 0.00 -0.67 0.02 0.00 -0.26 0.00 0.00 58.87 57.96 1bjr n SER 247 Cb 0.45 1.02 0.12 0.00 -0.26 0.00 0.00 64.21 65.54 1bjr n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bjr h ALA 248 N 2.80 0.65 -0.47 7.33 0.00 -0.94 -2.07 119.26 126.56 1bjr h ALA 248 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1bjr h ALA 248 Cb 0.60 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1bjr h ALA 248 CO 0.00 -0.40 0.18 0.00 0.00 0.00 0.00 179.25 179.02 1bjr h ARG 250 N 0.62 0.87 -0.38 0.00 1.12 -1.73 -1.89 114.38 112.97 1bjr h ARG 250 Ca 0.15 -0.08 -0.12 0.00 -1.11 0.00 0.00 59.98 58.83 1bjr h ARG 250 Cb 0.22 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 1bjr h ARG 250 CO -0.01 0.61 -0.23 -0.92 -3.11 0.00 0.00 179.97 176.31 1bjr h TYR 251 N 0.87 0.87 -0.46 2.20 3.20 -1.24 0.14 116.97 122.55 1bjr h TYR 251 Ca 0.23 -0.20 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 1bjr h TYR 251 Cb -0.03 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1bjr h TYR 251 CO -0.02 0.92 -0.19 0.82 -1.64 0.00 0.00 178.16 178.05 1bjr h ILE 252 N 0.67 1.27 -0.21 1.81 2.04 -1.11 -1.74 117.51 120.24 1bjr h ILE 252 Ca 0.09 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.56 1bjr h ILE 252 Cb 0.74 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1bjr h ILE 252 CO 0.06 0.46 -0.06 0.00 0.00 0.00 0.00 178.15 178.61 1bjr h ALA 253 N 0.86 0.29 0.00 1.87 0.00 -1.24 -1.17 119.26 119.86 1bjr h ALA 253 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1bjr h ALA 253 Cb 0.76 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1bjr h ALA 253 CO 0.06 0.08 -0.05 -0.44 0.00 0.00 0.00 179.25 178.90 1bjr h ASP 254 N 0.13 0.00 -0.41 0.00 3.32 -0.87 -2.07 116.42 116.52 1bjr h ASP 254 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1bjr h ASP 254 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1bjr h ASP 254 CO 0.02 0.05 0.00 0.35 -1.72 0.00 0.00 179.24 177.94 1bjr n THR 255 N -3.85 0.98 -1.32 0.35 -2.24 -0.66 -5.01 114.28 102.52 1bjr n THR 255 Ca -0.03 -0.99 -0.31 0.00 -2.27 0.00 0.00 64.05 60.45 1bjr n THR 255 Cb 0.14 0.52 0.08 0.00 -2.10 0.00 0.00 70.33 68.97 1bjr n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bjr s ALA 256 N -1.00 2.32 0.10 6.98 0.00 -0.45 -4.55 121.76 125.16 1bjr s ALA 256 Ca 0.27 0.25 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 1bjr s ALA 256 Cb 0.14 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 1bjr s ALA 256 CO 0.19 -1.67 1.43 -0.80 0.00 0.00 0.00 175.76 174.91 1bjr s ASN 257 N -3.42 6.78 0.05 0.00 0.02 -0.95 -4.84 114.94 112.58 1bjr s ASN 257 Ca 0.61 2.34 0.02 0.00 -1.02 0.00 0.00 52.86 54.81 1bjr s ASN 257 Cb -0.17 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.48 1bjr s ASN 257 CO 0.55 -0.70 0.09 -0.54 0.02 0.00 0.00 177.10 176.52 1bjr s LYS 258 N 1.43 2.98 -0.84 -0.60 -0.14 -1.26 -2.04 119.74 119.27 1bjr s LYS 258 Ca 0.66 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.67 1bjr s LYS 258 Cb -0.37 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 1bjr s LYS 258 CO 0.30 0.60 0.00 0.41 -0.76 0.00 0.00 175.35 175.90 1bjr n GLY 259 N 0.71 0.90 0.15 -3.33 0.00 -0.42 -4.89 105.19 98.32 1bjr n GLY 259 Ca -0.10 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1bjr n GLY 259 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bjr h ASP 260 N 0.00 0.00 -3.23 1.61 3.32 -1.82 -3.47 116.42 112.83 1bjr h ASP 260 Ca -0.16 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.31 1bjr h ASP 260 Cb 0.79 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 1bjr h ASP 260 CO 0.24 0.02 -0.12 -0.76 -1.72 0.00 0.00 179.24 176.90 1bjr s LEU 261 N -5.70 4.39 0.29 1.55 1.43 -1.26 -4.85 118.68 114.53 1bjr s LEU 261 Ca 0.02 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.26 1bjr s LEU 261 Cb 0.08 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1bjr s LEU 261 CO 0.75 0.18 0.05 -0.94 0.23 0.00 0.00 176.35 176.61 1bjr s SER 262 N -1.52 4.65 -0.77 2.29 1.04 -0.30 -4.63 113.70 114.45 1bjr s SER 262 Ca 0.33 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1bjr s SER 262 Cb -0.16 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.11 1bjr s SER 262 CO 0.18 -0.09 0.00 -3.20 0.98 0.00 0.00 173.24 171.11 1bjr n ASN 263 N -0.99 -3.67 -4.56 7.02 5.15 -1.26 -1.94 115.26 115.02 1bjr n ASN 263 Ca -0.06 0.15 -0.41 0.00 -0.60 0.00 0.00 54.58 53.66 1bjr n ASN 263 Cb 0.60 -2.08 -0.08 0.00 -0.53 0.00 0.00 39.78 37.69 1bjr n ASN 263 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1bjr s ILE 264 N -2.30 4.99 0.81 -1.44 -1.09 -1.26 -4.67 121.20 116.24 1bjr s ILE 264 Ca 0.00 0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 58.68 1bjr s ILE 264 Cb 0.00 -3.98 0.09 0.00 -1.58 0.00 0.00 42.46 36.98 1bjr s ILE 264 CO 0.00 -0.23 1.21 -2.84 -1.23 0.00 0.00 174.94 171.85 1bjr s PRO 265 N 2.45 1.60 -0.04 2.79 0.02 -1.26 -4.92 135.00 135.64 1bjr s PRO 265 Ca 0.20 1.76 -0.30 0.00 0.02 0.00 0.00 61.00 62.68 1bjr s PRO 265 Cb -0.15 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1bjr s PRO 265 CO 0.13 -2.24 1.34 0.12 -0.33 0.00 0.00 177.00 176.02 1bjr s PHE 266 N -2.15 2.90 0.00 6.54 2.19 -1.26 -2.53 117.98 123.67 1bjr s PHE 266 Ca 0.73 0.92 0.00 0.00 0.33 0.00 0.00 56.93 58.92 1bjr s PHE 266 Cb -0.29 -3.58 0.00 0.00 -1.31 0.00 0.00 43.02 37.84 1bjr s PHE 266 CO 0.51 -2.09 0.00 0.41 1.83 0.00 0.00 175.22 175.88 1bjr n GLY 267 N 3.59 0.62 3.67 13.12 0.00 -1.26 -5.00 105.19 119.93 1bjr n GLY 267 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1bjr n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bjr s THR 268 N -2.00 4.57 0.45 2.61 2.01 -1.05 -3.60 115.64 118.62 1bjr s THR 268 Ca 0.00 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 1bjr s THR 268 Cb 0.00 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 69.45 1bjr s THR 268 CO 0.00 0.55 1.33 0.68 -0.69 0.00 0.00 174.62 176.49 1bjr s VAL 269 N -0.39 2.43 -0.95 3.82 -7.23 -1.26 -4.85 120.40 111.97 1bjr s VAL 269 Ca 0.08 0.37 -0.01 0.00 -1.81 0.00 0.00 61.98 60.61 1bjr s VAL 269 Cb -0.12 -3.21 0.31 0.00 0.56 0.00 0.00 36.38 33.92 1bjr s VAL 269 CO 0.02 0.04 1.43 -3.20 -0.31 0.00 0.00 175.10 173.08 1bjr n ASN 270 N -0.25 6.15 -4.13 4.85 4.05 -1.26 -4.95 115.26 119.73 1bjr n ASN 270 Ca 0.06 -3.53 -0.25 0.00 0.45 0.00 0.00 54.58 51.30 1bjr n ASN 270 Cb 0.44 -1.08 -0.16 0.00 1.23 0.00 0.00 39.78 40.21 1bjr n ASN 270 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1bjr s LEU 271 N -3.30 1.93 -0.14 1.20 1.43 -1.26 -1.30 118.68 117.24 1bjr s LEU 271 Ca 0.37 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1bjr s LEU 271 Cb 0.13 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.44 1bjr s LEU 271 CO -0.01 0.16 -0.13 -0.22 0.23 0.00 0.00 176.35 176.38 1bjr s LEU 272 N -0.02 1.59 0.22 1.79 2.96 -0.86 -1.47 118.68 122.88 1bjr s LEU 272 Ca -0.02 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.15 1bjr s LEU 272 Cb -0.10 -1.11 -0.16 0.00 0.50 0.00 0.00 46.19 45.32 1bjr s LEU 272 CO 0.02 -0.06 0.77 0.00 -1.32 0.00 0.00 176.35 175.76 1bjr n ALA 273 N 4.76 -1.85 -3.36 5.97 0.00 -0.23 -2.23 120.51 123.57 1bjr n ALA 273 Ca -0.16 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.59 1bjr n ALA 273 Cb 0.50 -1.79 -0.12 0.00 0.00 0.00 0.00 19.45 18.04 1bjr n ALA 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1bjr s TYR 274 N -0.89 -0.33 -1.70 0.00 5.04 -1.26 -4.64 117.35 113.58 1bjr s TYR 274 Ca 0.65 0.78 0.27 0.00 -2.44 0.00 0.00 57.07 56.33 1bjr s TYR 274 Cb -0.87 0.10 0.91 0.00 0.35 0.00 0.00 41.96 42.45 1bjr s TYR 274 CO 0.57 -0.18 1.66 0.27 -1.34 0.00 0.00 175.55 176.53 1bjr n ASN 275 N 3.40 0.82 -3.26 4.32 6.94 -0.08 -4.76 115.26 122.64 1bjr n ASN 275 Ca -0.17 -0.76 -0.24 0.00 -0.02 0.00 0.00 54.58 53.40 1bjr n ASN 275 Cb 0.56 0.06 0.02 0.00 -2.36 0.00 0.00 39.78 38.07 1bjr n ASN 275 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1bjr n ASN 276 N -0.77 -5.19 -4.15 0.53 3.02 -1.26 -4.96 115.26 102.47 1bjr n ASN 276 Ca 0.13 -0.38 -0.39 0.00 -0.03 0.00 0.00 54.58 53.91 1bjr n ASN 276 Cb 0.32 -4.21 -0.07 0.00 -0.61 0.00 0.00 39.78 35.22 1bjr n ASN 276 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bjr s TYR 277 N -3.11 3.61 0.27 3.10 6.14 -1.26 -5.06 117.35 121.04 1bjr s TYR 277 Ca 0.39 -2.66 -0.13 0.00 0.64 0.00 0.00 57.07 55.31 1bjr s TYR 277 Cb -0.19 -3.35 -0.08 0.00 0.42 0.00 0.00 41.96 38.77 1bjr s TYR 277 CO 0.48 -0.85 0.65 -0.65 0.64 0.00 0.00 175.55 175.82 1bjr s GLN 278 N -0.38 3.92 0.00 4.97 -0.21 -1.26 -4.85 119.66 121.85 1bjr s GLN 278 Ca 0.20 0.50 0.27 0.00 0.02 0.00 0.00 55.36 56.35 1bjr s GLN 278 Cb -0.15 -2.56 0.85 0.00 1.00 0.00 0.00 33.01 32.15 1bjr s GLN 278 CO -0.07 0.24 1.63 0.00 -2.12 0.00 0.00 175.29 174.98