#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brr s VAL 2 N 0.00 4.78 -0.02 0.00 1.01 -1.26 -3.30 120.40 121.60 2brr s VAL 2 Ca 0.00 1.56 0.02 0.00 0.00 0.00 0.00 61.98 63.56 2brr s VAL 2 Cb 0.00 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2brr s VAL 2 CO 0.00 -0.16 -0.06 -1.10 0.00 0.00 0.00 175.10 173.78 2brr s GLN 3 N 2.98 0.71 -0.37 2.72 -0.21 -0.94 -4.99 119.66 119.56 2brr s GLN 3 Ca 0.36 -0.21 -0.05 0.00 0.02 0.00 0.00 55.36 55.49 2brr s GLN 3 Cb -0.15 -0.70 0.08 0.00 1.00 0.00 0.00 33.01 33.24 2brr s GLN 3 CO 0.09 0.07 0.15 -0.51 -2.12 0.00 0.00 175.29 172.97 2brr s LEU 4 N 0.26 4.75 -0.30 2.90 1.43 -1.26 -1.16 118.68 125.30 2brr s LEU 4 Ca -0.03 -1.57 -0.09 0.00 -1.03 0.00 0.00 54.13 51.40 2brr s LEU 4 Cb -0.08 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2brr s LEU 4 CO 0.00 -0.44 0.14 -1.61 0.23 0.00 0.00 176.35 174.68 2brr s GLU 5 N 1.28 3.46 0.32 1.70 2.02 0.13 -3.92 118.70 123.69 2brr s GLU 5 Ca 0.02 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.40 2brr s GLU 5 Cb -0.22 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 2brr s GLU 5 CO -0.01 -0.35 0.50 -0.65 0.02 0.00 0.00 175.26 174.77 2brr s GLN 6 N 1.63 3.45 0.85 1.61 -0.21 -1.26 -0.36 119.66 125.37 2brr s GLN 6 Ca 0.05 -0.48 -0.11 0.00 0.02 0.00 0.00 55.36 54.84 2brr s GLN 6 Cb -0.17 -2.73 0.10 0.00 1.00 0.00 0.00 33.01 31.22 2brr s GLN 6 CO 0.06 0.21 1.09 -1.54 -2.12 0.00 0.00 175.29 173.00 2brr s SER 7 N -4.03 3.86 1.11 5.90 1.04 -0.77 -4.98 113.70 115.84 2brr s SER 7 Ca 0.39 1.60 -0.15 0.00 0.48 0.00 0.00 55.95 58.27 2brr s SER 7 Cb -0.09 -2.29 0.24 0.00 0.10 0.00 0.00 66.02 63.98 2brr s SER 7 CO 0.34 -2.41 1.08 -0.83 0.98 0.00 0.00 173.24 172.40 2brr s GLY 8 N -3.42 1.56 0.57 7.32 0.00 -1.26 -4.61 107.32 107.47 2brr s GLY 8 Ca 0.63 -0.55 -0.20 0.00 0.00 0.00 0.00 44.72 44.59 2brr s GLY 8 CO 0.57 0.18 1.23 -1.55 0.00 0.00 0.00 173.10 173.53 2brr n PRO 9 N -4.54 1.36 -4.74 2.90 -0.04 -1.26 -4.75 135.00 123.93 2brr n PRO 9 Ca 0.07 0.51 -0.25 0.00 -0.04 0.00 0.00 63.50 63.80 2brr n PRO 9 Cb 0.58 -2.44 -0.15 0.00 -0.04 0.00 0.00 33.50 31.45 2brr n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2brr s GLU 10 N -2.91 1.37 -0.16 0.54 0.41 -0.43 -5.00 118.70 112.52 2brr s GLU 10 Ca 0.75 -0.72 0.01 0.00 -0.41 0.00 0.00 54.97 54.60 2brr s GLU 10 Cb -0.42 -1.36 0.01 0.00 -1.78 0.00 0.00 34.13 30.57 2brr s GLU 10 CO 0.47 0.36 -0.18 -1.17 -0.49 0.00 0.00 175.26 174.26 2brr s LEU 11 N -0.68 2.30 0.09 1.80 2.96 -1.26 -1.16 118.68 122.73 2brr s LEU 11 Ca 0.06 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2brr s LEU 11 Cb -0.07 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 2brr s LEU 11 CO 0.00 0.06 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.46 2brr s LYS 12 N 0.96 0.78 0.35 1.98 -0.14 -0.11 -4.98 119.74 118.58 2brr s LYS 12 Ca -0.03 -1.14 -0.13 0.00 -1.36 0.00 0.00 55.97 53.31 2brr s LYS 12 Cb -0.15 -0.38 -0.08 0.00 -1.68 0.00 0.00 37.83 35.54 2brr s LYS 12 CO -0.04 0.04 0.75 0.15 -0.76 0.00 0.00 175.35 175.50 2brr s LYS 13 N -2.89 3.92 0.40 1.68 1.02 -1.25 -0.46 119.74 122.18 2brr s LYS 13 Ca 0.04 0.60 -0.25 0.00 0.02 0.00 0.00 55.97 56.39 2brr s LYS 13 Cb -0.02 -2.41 -0.11 0.00 -0.52 0.00 0.00 37.83 34.77 2brr s LYS 13 CO -0.01 0.09 1.06 -0.35 -0.92 0.00 0.00 175.35 175.21 2brr n PRO 14 N -0.70 1.47 0.00 -1.68 -0.04 -1.26 -1.49 135.00 131.30 2brr n PRO 14 Ca 0.03 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 2brr n PRO 14 Cb 0.53 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 2brr n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2brr n GLY 15 N 1.12 2.91 3.56 0.55 0.00 0.56 -4.85 105.19 109.05 2brr n GLY 15 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2brr n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2brr n GLU 16 N -2.00 -1.36 -4.94 1.61 1.02 -0.56 -3.99 120.64 110.42 2brr n GLU 16 Ca 0.00 -1.89 -0.31 0.00 -0.02 0.00 0.00 57.16 54.94 2brr n GLU 16 Cb 0.00 -1.30 -0.14 0.00 -0.02 0.00 0.00 31.44 29.98 2brr n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2brr s THR 17 N -3.64 2.43 0.03 2.62 2.01 -1.26 -1.03 115.64 116.81 2brr s THR 17 Ca 0.70 -1.17 0.07 0.00 0.31 0.00 0.00 61.69 61.60 2brr s THR 17 Cb -0.02 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 2brr s THR 17 CO 0.49 0.44 -0.19 0.54 -0.69 0.00 0.00 174.62 175.21 2brr s VAL 18 N -0.78 1.56 -0.10 3.82 0.11 -0.43 -5.00 120.40 119.58 2brr s VAL 18 Ca 0.12 -1.11 -0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2brr s VAL 18 Cb -0.10 -1.35 0.02 0.00 -1.53 0.00 0.00 36.38 33.42 2brr s VAL 18 CO 0.02 0.21 -0.06 -0.75 -3.33 0.00 0.00 175.10 171.19 2brr s LYS 19 N -1.05 1.35 -0.09 1.54 2.20 -1.26 -0.71 119.74 121.73 2brr s LYS 19 Ca 0.07 -0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.47 2brr s LYS 19 Cb -0.08 -1.46 -0.03 0.00 -1.51 0.00 0.00 37.83 34.75 2brr s LYS 19 CO 0.01 -0.26 -0.02 0.42 -0.36 0.00 0.00 175.35 175.14 2brr s ILE 20 N 1.71 4.12 0.20 5.43 1.01 0.30 -4.95 121.20 129.02 2brr s ILE 20 Ca 0.04 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.44 2brr s ILE 20 Cb -0.13 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2brr s ILE 20 CO -0.07 0.59 0.11 -0.94 0.00 0.00 0.00 174.94 174.63 2brr s SER 21 N -0.73 5.27 -0.24 3.58 1.04 -1.26 -1.02 113.70 120.33 2brr s SER 21 Ca 0.11 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 2brr s SER 21 Cb -0.11 -1.28 0.08 0.00 0.10 0.00 0.00 66.02 64.80 2brr s SER 21 CO 0.02 0.04 0.08 0.00 0.98 0.00 0.00 173.24 174.36 2brr s LYS 23 N 1.92 3.64 0.06 0.00 1.02 0.51 -0.96 119.74 125.93 2brr s LYS 23 Ca 0.04 -0.29 -0.09 0.00 0.02 0.00 0.00 55.97 55.65 2brr s LYS 23 Cb -0.17 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.30 2brr s LYS 23 CO -0.19 -0.52 0.36 0.00 -0.92 0.00 0.00 175.35 174.08 2brr s ALA 24 N 2.11 3.76 0.14 5.17 0.00 0.43 -0.69 121.76 132.68 2brr s ALA 24 Ca 0.14 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 2brr s ALA 24 Cb -0.16 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2brr s ALA 24 CO 0.12 0.59 0.23 -1.54 0.00 0.00 0.00 175.76 175.16 2brr s SER 25 N -1.74 0.09 0.00 0.00 1.04 -0.31 -4.80 113.70 107.98 2brr s SER 25 Ca 0.31 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2brr s SER 25 Cb -0.14 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2brr s SER 25 CO 0.18 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2brr n GLY 26 N -0.16 0.82 3.59 7.32 0.00 -1.21 -2.21 105.19 113.35 2brr n GLY 26 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2brr n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2brr s TYR 27 N -3.19 -0.00 -0.46 1.61 1.13 -1.26 -4.49 117.35 110.69 2brr s TYR 27 Ca 0.00 -0.37 -0.29 0.00 -1.41 0.00 0.00 57.07 55.01 2brr s TYR 27 Cb 0.00 0.39 0.01 0.00 -1.10 0.00 0.00 41.96 41.26 2brr s TYR 27 CO 0.00 -0.99 1.38 0.99 -2.51 0.00 0.00 175.55 174.42 2brr s THR 28 N -3.92 3.91 0.26 -3.49 2.01 -1.26 -4.88 115.64 108.27 2brr s THR 28 Ca 0.13 0.90 -0.03 0.00 0.31 0.00 0.00 61.69 63.00 2brr s THR 28 Cb -0.02 -4.31 0.25 0.00 0.01 0.00 0.00 72.50 68.43 2brr s THR 28 CO 0.02 -0.89 1.87 0.15 -0.69 0.00 0.00 174.62 175.08 2brr h PHE 29 N 10.62 1.13 0.00 4.92 3.57 -1.95 -2.30 116.94 132.93 2brr h PHE 29 Ca -0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2brr h PHE 29 Cb 1.10 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2brr h PHE 29 CO 0.99 0.57 0.00 0.25 -2.23 0.00 0.00 178.31 177.89 2brr n THR 30 N -4.55 0.07 1.01 4.41 -2.24 -1.26 -3.22 114.28 108.50 2brr n THR 30 Ca 0.15 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 2brr n THR 30 Cb 0.19 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 2brr n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2brr n ASN 31 N -1.10 1.56 -4.02 3.42 3.02 -0.86 -3.38 115.26 113.90 2brr n ASN 31 Ca 0.17 -1.26 -0.22 0.00 -0.03 0.00 0.00 54.58 53.24 2brr n ASN 31 Cb 0.12 0.68 -0.16 0.00 -0.61 0.00 0.00 39.78 39.81 2brr n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2brr s TYR 32 N -2.70 1.10 0.63 3.10 1.51 -1.20 -5.07 117.35 114.73 2brr s TYR 32 Ca 0.14 -0.30 -0.17 0.00 -1.01 0.00 0.00 57.07 55.73 2brr s TYR 32 Cb 0.17 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 41.22 2brr s TYR 32 CO 0.69 -0.13 1.17 0.20 -1.11 0.00 0.00 175.55 176.37 2brr s GLY 33 N 0.27 2.48 -0.17 0.71 0.00 -1.26 -4.43 107.32 104.92 2brr s GLY 33 Ca -0.05 0.83 -0.03 0.00 0.00 0.00 0.00 44.72 45.47 2brr s GLY 33 CO 0.01 1.21 -0.06 -0.29 0.00 0.00 0.00 173.10 173.97 2brr s MET 34 N -3.65 3.49 0.10 2.90 1.75 -0.84 -1.47 119.30 121.58 2brr s MET 34 Ca 0.73 -0.60 0.02 0.00 -1.25 0.00 0.00 55.69 54.59 2brr s MET 34 Cb -0.26 -2.87 -0.04 0.00 2.84 0.00 0.00 34.83 34.49 2brr s MET 34 CO 0.37 0.07 0.18 -0.80 -0.65 0.00 0.00 175.02 174.19 2brr s ASN 35 N 0.77 6.00 -0.08 1.11 0.01 0.17 -1.01 114.94 121.90 2brr s ASN 35 Ca -0.03 0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.27 2brr s ASN 35 Cb -0.15 -1.74 -0.01 0.00 0.41 0.00 0.00 41.25 39.77 2brr s ASN 35 CO 0.02 0.13 -0.22 0.26 -1.51 0.00 0.00 177.10 175.78 2brr s TRP 36 N -1.57 2.57 -0.06 2.20 0.52 -0.58 -0.38 118.94 121.64 2brr s TRP 36 Ca 0.33 -0.78 0.02 0.00 0.02 0.00 0.00 56.10 55.69 2brr s TRP 36 Cb -0.12 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.53 2brr s TRP 36 CO 0.26 -0.26 -0.10 0.08 0.02 0.00 0.00 176.95 176.95 2brr s VAL 37 N 0.06 0.96 -0.13 4.03 1.01 0.50 0.08 120.40 126.90 2brr s VAL 37 Ca -0.09 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2brr s VAL 37 Cb -0.15 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2brr s VAL 37 CO 0.06 0.32 0.10 -0.75 0.00 0.00 0.00 175.10 174.82 2brr s LYS 38 N 0.73 3.49 -0.27 2.72 2.20 0.68 -0.30 119.74 128.99 2brr s LYS 38 Ca -0.14 -0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.23 2brr s LYS 38 Cb -0.15 -3.14 0.09 0.00 -1.51 0.00 0.00 37.83 33.12 2brr s LYS 38 CO 0.03 0.65 0.09 -1.14 -0.36 0.00 0.00 175.35 174.62 2brr s GLN 39 N -0.69 0.55 0.65 4.03 0.74 0.57 -0.85 119.66 124.65 2brr s GLN 39 Ca 0.12 -0.73 -0.17 0.00 0.05 0.00 0.00 55.36 54.63 2brr s GLN 39 Cb -0.12 -1.81 -0.01 0.00 1.10 0.00 0.00 33.01 32.18 2brr s GLN 39 CO 0.03 -0.89 1.18 0.00 -0.55 0.00 0.00 175.29 175.05 2brr s ALA 40 N 1.82 2.41 -0.06 1.58 0.00 -1.26 -0.89 121.76 125.36 2brr s ALA 40 Ca 0.06 0.86 -0.33 0.00 0.00 0.00 0.00 51.96 52.55 2brr s ALA 40 Cb -0.17 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 2brr s ALA 40 CO -0.23 -1.38 1.90 -2.30 0.00 0.00 0.00 175.76 173.75 2brr n PRO 41 N -2.09 2.35 -1.07 0.00 -0.02 -1.26 -1.34 135.00 131.56 2brr n PRO 41 Ca 0.13 0.86 -0.03 0.00 -2.02 0.00 0.00 63.50 62.44 2brr n PRO 41 Cb 0.50 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.24 2brr n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2brr n GLY 42 N 4.44 0.58 2.31 -1.23 0.00 -1.26 -5.02 105.19 105.00 2brr n GLY 42 Ca 0.22 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 2brr n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2brr n LYS 43 N -2.42 1.21 -1.05 1.61 4.76 -0.45 -5.16 118.16 116.66 2brr n LYS 43 Ca -0.03 -2.35 -0.08 0.00 -2.87 0.00 0.00 58.31 52.98 2brr n LYS 43 Cb 0.15 0.62 0.05 0.00 -1.84 0.00 0.00 35.03 34.01 2brr n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2brr n GLY 44 N 1.14 0.05 3.79 0.72 0.00 -1.26 -4.71 105.19 104.93 2brr n GLY 44 Ca -0.13 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 2brr n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2brr s LEU 45 N 0.00 4.55 -0.07 0.99 1.43 -1.26 -4.31 118.68 120.02 2brr s LEU 45 Ca 0.23 1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 54.75 2brr s LEU 45 Cb -0.01 -3.07 0.03 0.00 0.03 0.00 0.00 46.19 43.16 2brr s LEU 45 CO 0.16 0.24 -0.01 -0.75 0.23 0.00 0.00 176.35 176.21 2brr s LYS 46 N -1.08 0.71 -0.11 1.70 2.47 -0.03 -4.99 119.74 118.42 2brr s LYS 46 Ca 0.32 0.03 -0.30 0.00 -1.56 0.00 0.00 55.97 54.47 2brr s LYS 46 Cb -0.21 -0.97 -0.02 0.00 -1.46 0.00 0.00 37.83 35.17 2brr s LYS 46 CO 0.22 -0.25 1.12 -0.46 0.16 0.00 0.00 175.35 176.15 2brr s TRP 47 N 1.69 3.27 -0.14 4.03 -0.00 -1.26 -0.23 118.94 126.30 2brr s TRP 47 Ca 0.01 1.35 0.18 0.00 -0.00 0.00 0.00 56.10 57.64 2brr s TRP 47 Cb -0.13 -3.34 -0.12 0.00 -0.00 0.00 0.00 33.47 29.88 2brr s TRP 47 CO -0.04 -0.90 0.82 -1.33 -0.00 0.00 0.00 176.95 175.50 2brr n MET 48 N 5.43 0.62 0.00 5.86 2.81 0.11 -4.72 117.12 127.24 2brr n MET 48 Ca 0.11 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 2brr n MET 48 Cb 0.47 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 2brr n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2brr n GLY 49 N 1.37 1.00 3.30 3.03 0.00 -1.23 -0.72 105.19 111.93 2brr n GLY 49 Ca -0.09 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 2brr n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2brr s TRP 50 N -1.79 0.36 -0.05 1.61 1.48 -0.38 -1.53 118.94 118.65 2brr s TRP 50 Ca 0.00 -0.74 0.06 0.00 -1.06 0.00 0.00 56.10 54.36 2brr s TRP 50 Cb 0.00 -0.07 -0.01 0.00 -1.16 0.00 0.00 33.47 32.23 2brr s TRP 50 CO 0.00 -0.67 -0.23 -1.50 -4.06 0.00 0.00 176.95 170.49 2brr s ILE 51 N -3.95 1.85 -0.19 0.66 2.07 -0.18 -0.09 121.20 121.37 2brr s ILE 51 Ca 0.15 -0.96 -0.29 0.00 -1.41 0.00 0.00 60.65 58.14 2brr s ILE 51 Cb 0.04 -1.57 -0.00 0.00 0.13 0.00 0.00 42.46 41.06 2brr s ILE 51 CO -0.02 0.52 1.13 0.21 -1.91 0.00 0.00 174.94 174.87 2brr s ASN 52 N -0.16 7.05 0.00 4.50 3.84 0.24 -1.98 114.94 128.43 2brr s ASN 52 Ca -0.02 1.52 0.26 0.00 0.21 0.00 0.00 52.86 54.84 2brr s ASN 52 Cb -0.12 -2.54 0.77 0.00 -0.55 0.00 0.00 41.25 38.81 2brr s ASN 52 CO 0.03 -0.69 1.59 0.35 -2.79 0.00 0.00 177.10 175.59 2brr n THR 52 N 5.27 0.00 0.03 -5.21 -2.24 -1.26 0.27 114.28 111.15 2brr n THR 52 Ca 0.13 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.68 2brr n THR 52 Cb 0.46 0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.61 2brr n THR 52 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2brr h TYR 53 N 0.21 0.52 0.00 4.78 5.03 -1.89 -3.41 116.97 122.21 2brr h TYR 53 Ca 0.00 -0.38 -0.03 0.00 2.58 0.00 0.00 58.73 60.90 2brr h TYR 53 Cb 0.48 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 2brr h TYR 53 CO 0.00 1.65 -1.72 0.25 -1.32 0.00 0.00 178.16 177.02 2brr n THR 54 N -3.48 0.12 -0.57 1.81 -2.24 -1.24 -5.01 114.28 103.67 2brr n THR 54 Ca -0.27 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2brr n THR 54 Cb 1.06 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2brr n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2brr n GLY 55 N 1.71 1.17 3.67 3.38 0.00 0.14 -5.02 105.19 110.24 2brr n GLY 55 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2brr n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2brr s GLU 56 N -0.26 4.25 0.09 1.61 2.12 -1.22 -4.70 118.70 120.59 2brr s GLU 56 Ca 0.00 1.93 -0.10 0.00 0.36 0.00 0.00 54.97 57.16 2brr s GLU 56 Cb 0.00 -3.72 -0.06 0.00 0.26 0.00 0.00 34.13 30.61 2brr s GLU 56 CO 0.00 -0.67 0.41 -1.25 -0.54 0.00 0.00 175.26 173.21 2brr s PRO 57 N 3.07 3.77 -0.12 4.30 0.04 -1.26 -0.59 135.00 144.21 2brr s PRO 57 Ca 0.64 0.19 0.02 0.00 0.04 0.00 0.00 61.00 61.88 2brr s PRO 57 Cb -0.29 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.28 2brr s PRO 57 CO 0.24 0.55 -0.16 0.99 0.04 0.00 0.00 177.00 178.66 2brr s THR 58 N -1.42 1.56 -0.10 1.26 2.01 0.87 -4.99 115.64 114.82 2brr s THR 58 Ca 0.34 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2brr s THR 58 Cb -0.14 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 2brr s THR 58 CO 0.18 0.45 0.02 -0.31 -0.69 0.00 0.00 174.62 174.28 2brr s TYR 59 N 1.06 3.22 0.62 4.92 2.02 -1.26 -1.24 117.35 126.68 2brr s TYR 59 Ca -0.05 0.19 -0.16 0.00 -0.37 0.00 0.00 57.07 56.69 2brr s TYR 59 Cb -0.15 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 2brr s TYR 59 CO -0.03 0.44 1.09 0.00 -1.57 0.00 0.00 175.55 175.48 2brr s ALA 60 N -0.70 2.60 0.58 3.71 0.00 0.10 -4.87 121.76 123.18 2brr s ALA 60 Ca 0.11 0.52 0.28 0.00 0.00 0.00 0.00 51.96 52.87 2brr s ALA 60 Cb -0.12 -3.29 1.52 0.00 0.00 0.00 0.00 23.12 21.24 2brr s ALA 60 CO 0.02 -1.03 1.99 -0.44 0.00 0.00 0.00 175.76 176.30 2brr h ASP 61 N 0.34 0.00 -0.05 0.00 3.32 -1.92 0.11 116.42 118.22 2brr h ASP 61 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2brr h ASP 61 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2brr h ASP 61 CO 0.56 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.55 2brr n ASP 62 N -3.88 1.42 -1.07 6.45 8.00 -1.26 -4.11 116.55 122.10 2brr n ASP 62 Ca 0.06 -1.51 0.05 0.00 0.71 0.00 0.00 54.79 54.10 2brr n ASP 62 Cb 0.54 -0.02 0.12 0.00 -0.02 0.00 0.00 41.12 41.73 2brr n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2brr n PHE 63 N 0.12 0.06 0.18 1.24 3.01 0.38 -4.80 117.46 117.64 2brr n PHE 63 Ca 0.19 -1.06 0.08 0.00 1.01 0.00 0.00 57.45 57.67 2brr n PHE 63 Cb 0.33 -0.20 0.25 0.00 -0.01 0.00 0.00 39.48 39.84 2brr n PHE 63 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2brr n LYS 64 N -0.36 2.45 -0.00 -1.08 5.02 -1.23 -4.33 118.16 118.64 2brr n LYS 64 Ca 0.13 -2.02 -0.00 0.00 -2.02 0.00 0.00 58.31 54.40 2brr n LYS 64 Cb 0.91 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.42 2brr n LYS 64 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2brr n GLU 65 N 1.04 0.00 -0.07 1.97 4.71 -1.26 -4.85 120.64 122.19 2brr n GLU 65 Ca 0.19 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.41 2brr n GLU 65 Cb 0.52 -0.37 0.10 0.00 -1.01 0.00 0.00 31.44 30.67 2brr n GLU 65 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2brr n ARG 66 N -2.51 1.61 -4.81 3.49 1.74 -1.26 -5.00 116.66 109.92 2brr n ARG 66 Ca -0.00 -2.28 -0.33 0.00 -0.77 0.00 0.00 57.85 54.47 2brr n ARG 66 Cb 0.00 -1.35 -0.14 0.00 -1.02 0.00 0.00 32.46 29.95 2brr n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2brr s PHE 67 N -2.36 2.78 -0.09 -1.55 0.40 -1.26 -4.30 117.98 111.60 2brr s PHE 67 Ca 0.24 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 2brr s PHE 67 Cb 0.21 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.98 2brr s PHE 67 CO 0.02 -0.12 -0.01 0.00 0.70 0.00 0.00 175.22 175.81 2brr s ALA 68 N 0.10 0.88 -0.02 5.36 0.00 0.70 -4.95 121.76 123.83 2brr s ALA 68 Ca -0.06 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 2brr s ALA 68 Cb -0.15 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 2brr s ALA 68 CO 0.05 -0.53 0.38 -0.06 0.00 0.00 0.00 175.76 175.60 2brr s PHE 69 N 1.90 3.70 0.31 0.00 0.08 -1.26 0.17 117.98 122.89 2brr s PHE 69 Ca 0.04 0.93 -0.05 0.00 0.12 0.00 0.00 56.93 57.98 2brr s PHE 69 Cb -0.13 -2.26 -0.00 0.00 -0.57 0.00 0.00 43.02 40.06 2brr s PHE 69 CO -0.06 0.63 0.45 -1.54 -0.10 0.00 0.00 175.22 174.60 2brr s SER 70 N -0.98 0.61 0.08 1.36 1.04 -0.69 -4.84 113.70 110.28 2brr s SER 70 Ca 0.23 -1.35 0.02 0.00 0.48 0.00 0.00 55.95 55.33 2brr s SER 70 Cb -0.16 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2brr s SER 70 CO 0.12 -1.23 -0.07 -0.76 0.98 0.00 0.00 173.24 172.28 2brr s LEU 71 N -3.18 2.44 -0.37 2.42 1.43 -1.26 -0.86 118.68 119.29 2brr s LEU 71 Ca 0.29 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2brr s LEU 71 Cb 0.00 -0.08 0.12 0.00 0.03 0.00 0.00 46.19 46.26 2brr s LEU 71 CO 0.17 -0.40 0.17 -0.70 0.23 0.00 0.00 176.35 175.82 2brr s GLU 72 N -3.19 0.88 0.39 1.70 2.12 -0.12 -4.96 118.70 115.52 2brr s GLU 72 Ca 0.05 -1.46 0.18 0.00 0.36 0.00 0.00 54.97 54.11 2brr s GLU 72 Cb 0.01 -1.96 0.81 0.00 0.26 0.00 0.00 34.13 33.25 2brr s GLU 72 CO -0.04 -1.10 1.81 1.79 -0.54 0.00 0.00 175.26 177.19 2brr h THR 73 N 5.73 0.95 0.00 -1.70 1.35 -1.96 -1.23 112.91 116.05 2brr h THR 73 Ca -0.05 -1.32 -0.03 0.00 -0.55 0.00 0.00 66.41 64.46 2brr h THR 73 Cb 0.97 1.78 -0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2brr h THR 73 CO 0.44 0.34 -0.14 0.77 -0.25 0.00 0.00 175.52 176.67 2brr h SER 74 N 0.00 0.00 -0.11 5.36 4.64 -1.96 -2.03 113.55 119.45 2brr h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2brr h SER 74 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2brr h SER 74 CO 0.04 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 2brr n ALA 75 N -2.33 2.45 -3.87 5.18 0.00 -0.52 -4.97 120.51 116.45 2brr n ALA 75 Ca -0.02 -0.75 -0.24 0.00 0.00 0.00 0.00 53.44 52.43 2brr n ALA 75 Cb 0.24 -0.77 -0.00 0.00 0.00 0.00 0.00 19.45 18.92 2brr n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2brr n SER 76 N 1.30 -0.56 -4.14 0.00 7.64 -0.77 -4.71 113.62 112.38 2brr n SER 76 Ca 0.14 -0.95 -0.22 0.00 1.01 0.00 0.00 58.87 58.86 2brr n SER 76 Cb 0.57 -3.38 -0.14 0.00 -1.01 0.00 0.00 64.21 60.24 2brr n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2brr s ALA 77 N -3.87 1.24 0.06 -0.43 0.00 -0.97 -0.43 121.76 117.37 2brr s ALA 77 Ca 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.29 2brr s ALA 77 Cb -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2brr s ALA 77 CO 0.86 0.27 -0.25 0.00 0.00 0.00 0.00 175.76 176.65 2brr s ALA 78 N -0.63 2.12 0.05 0.00 0.00 -0.13 -0.95 121.76 122.21 2brr s ALA 78 Ca 0.04 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.81 2brr s ALA 78 Cb -0.07 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2brr s ALA 78 CO 0.01 0.49 -0.16 0.71 0.00 0.00 0.00 175.76 176.80 2brr s TYR 79 N -0.86 1.41 -0.21 0.00 1.51 -0.04 0.12 117.35 119.27 2brr s TYR 79 Ca 0.11 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2brr s TYR 79 Cb -0.10 -0.83 0.03 0.00 -0.11 0.00 0.00 41.96 40.95 2brr s TYR 79 CO 0.03 0.06 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.20 2brr s LEU 80 N -1.24 2.54 -0.14 -1.29 2.96 -0.19 -1.70 118.68 119.63 2brr s LEU 80 Ca 0.03 -0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 53.07 2brr s LEU 80 Cb -0.08 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2brr s LEU 80 CO 0.02 -0.06 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.38 2brr s GLN 81 N 1.25 3.49 0.42 1.98 0.74 0.13 -0.54 119.66 127.12 2brr s GLN 81 Ca 0.01 -0.50 0.07 0.00 0.05 0.00 0.00 55.36 54.99 2brr s GLN 81 Cb -0.15 -2.87 -0.06 0.00 1.10 0.00 0.00 33.01 31.03 2brr s GLN 81 CO -0.10 0.35 0.13 0.42 -0.55 0.00 0.00 175.29 175.54 2brr s ILE 82 N 0.06 2.19 0.00 -2.34 1.01 0.12 -0.22 121.20 122.02 2brr s ILE 82 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 58.87 2brr s ILE 82 Cb -0.13 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2brr s ILE 82 CO 0.03 0.00 0.00 -3.20 0.00 0.00 0.00 174.94 171.77 2brr n ASN 82 N -1.17 0.00 -4.65 3.58 5.15 -1.10 -1.32 115.26 115.76 2brr n ASN 82 Ca -0.03 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.52 2brr n ASN 82 Cb 0.65 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.89 2brr n ASN 82 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2brr n LEU 82 N -0.43 2.81 -4.62 1.20 4.77 -0.20 -4.43 117.00 116.10 2brr n LEU 82 Ca 0.00 1.19 -0.24 0.00 -0.03 0.00 0.00 56.01 56.93 2brr n LEU 82 Cb 0.00 -1.40 -0.08 0.00 -2.33 0.00 0.00 43.42 39.61 2brr n LEU 82 CO 0.00 -0.83 -0.33 -0.54 -1.33 0.00 0.00 177.39 174.36 2brr s LYS 83 N -1.50 2.15 0.43 3.23 1.02 -1.26 -0.32 119.74 123.50 2brr s LYS 83 Ca 0.59 -1.56 0.14 0.00 0.02 0.00 0.00 55.97 55.15 2brr s LYS 83 Cb -0.64 -2.05 1.02 0.00 -0.52 0.00 0.00 37.83 35.65 2brr s LYS 83 CO 0.59 0.28 1.98 -0.91 -0.92 0.00 0.00 175.35 176.38 2brr h ASN 84 N 1.90 0.37 0.57 2.83 -0.26 -1.95 -1.51 115.58 117.53 2brr h ASN 84 Ca -0.43 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.32 2brr h ASN 84 Cb 1.25 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 2brr h ASN 84 CO 0.62 0.23 0.00 -1.84 -1.06 0.00 0.00 177.43 175.38 2brr n GLU 85 N -4.47 0.15 0.00 0.81 0.28 -1.26 -1.68 120.64 114.47 2brr n GLU 85 Ca 0.09 0.43 0.12 0.00 -0.16 0.00 0.00 57.16 57.65 2brr n GLU 85 Cb 0.36 -1.81 0.61 0.00 1.43 0.00 0.00 31.44 32.02 2brr n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2brr n ASP 86 N -2.10 0.00 -4.62 -1.84 8.00 -0.57 -4.74 116.55 110.68 2brr n ASP 86 Ca 0.02 0.14 -0.43 0.00 0.71 0.00 0.00 54.79 55.23 2brr n ASP 86 Cb 0.19 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 2brr n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2brr s THR 87 N -2.73 3.31 -0.06 -3.53 2.01 -0.67 -4.78 115.64 109.17 2brr s THR 87 Ca 0.20 0.34 -0.32 0.00 0.31 0.00 0.00 61.69 62.22 2brr s THR 87 Cb 0.17 -3.33 0.13 0.00 0.01 0.00 0.00 72.50 69.48 2brr s THR 87 CO 0.42 -0.16 1.38 0.00 -0.69 0.00 0.00 174.62 175.57 2brr s ALA 88 N 6.26 -2.44 -0.13 7.40 0.00 -0.92 -4.46 121.76 127.47 2brr s ALA 88 Ca 0.85 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 2brr s ALA 88 Cb -0.31 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2brr s ALA 88 CO 0.34 -1.07 0.26 0.99 0.00 0.00 0.00 175.76 176.28 2brr s THR 89 N -2.15 5.31 -0.13 0.00 2.01 -0.07 -0.71 115.64 119.90 2brr s THR 89 Ca 0.17 0.49 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 2brr s THR 89 Cb 0.06 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2brr s THR 89 CO -0.05 0.47 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.93 2brr s TYR 90 N -0.11 2.86 -0.01 4.92 1.51 0.11 -0.32 117.35 126.31 2brr s TYR 90 Ca 0.16 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2brr s TYR 90 Cb -0.13 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 2brr s TYR 90 CO 0.05 -0.13 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.15 2brr s PHE 91 N 0.25 2.67 -0.01 2.71 0.08 0.59 -0.31 117.98 123.97 2brr s PHE 91 Ca -0.08 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.74 2brr s PHE 91 Cb -0.15 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2brr s PHE 91 CO 0.05 0.23 0.23 0.00 -0.10 0.00 0.00 175.22 175.63 2brr s ALA 93 N -1.27 -0.55 0.39 0.00 0.00 0.49 -0.78 121.76 120.05 2brr s ALA 93 Ca 0.26 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 52.97 2brr s ALA 93 Cb -0.13 -0.64 -0.10 0.00 0.00 0.00 0.00 23.12 22.26 2brr s ALA 93 CO 0.15 -0.21 1.00 0.50 0.00 0.00 0.00 175.76 177.20 2brr s ARG 94 N 1.29 4.27 0.27 0.00 3.52 -0.11 0.41 118.95 128.60 2brr s ARG 94 Ca -0.09 1.37 -0.31 0.00 -0.13 0.00 0.00 55.73 56.57 2brr s ARG 94 Cb -0.10 -2.50 -0.12 0.00 -1.56 0.00 0.00 34.95 30.66 2brr s ARG 94 CO -0.08 -0.02 1.59 -0.25 -0.81 0.00 0.00 175.30 175.72 2brr n ASP 95 N -0.08 3.70 -4.72 -2.12 8.00 -0.54 -1.78 116.55 118.99 2brr n ASP 95 Ca 0.05 1.13 -0.39 0.00 0.71 0.00 0.00 54.79 56.29 2brr n ASP 95 Cb 0.51 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.12 39.99 2brr n ASP 95 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2brr s TYR 96 N 0.20 3.56 0.12 1.24 5.04 0.58 -4.62 117.35 123.48 2brr s TYR 96 Ca 0.67 1.10 0.10 0.00 -2.44 0.00 0.00 57.07 56.49 2brr s TYR 96 Cb -0.53 -2.68 -0.04 0.00 0.35 0.00 0.00 41.96 39.07 2brr s TYR 96 CO 0.46 0.15 -0.24 0.71 -1.34 0.00 0.00 175.55 175.29 2brr s TYR 97 N 0.61 2.06 0.00 4.97 1.51 -1.26 -3.92 117.35 121.31 2brr s TYR 97 Ca 0.32 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 2brr s TYR 97 Cb -0.17 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 2brr s TYR 97 CO 0.15 0.28 0.00 0.41 -1.11 0.00 0.00 175.55 175.28 2brr n GLY 98 N 0.95 1.12 0.25 0.71 0.00 0.08 -4.94 105.19 103.37 2brr n GLY 98 Ca -0.18 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.41 2brr n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2brr h SER 99 N 0.00 0.00 0.00 1.61 4.64 -2.01 -3.41 113.55 114.38 2brr h SER 99 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2brr h SER 99 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2brr h SER 99 CO 0.00 0.09 0.00 0.41 -0.87 0.00 0.00 176.83 176.46 2brr n THR 100 N -3.21 0.00 -4.00 2.95 -1.04 -1.26 -5.14 114.28 102.58 2brr n THR 100 Ca 0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.75 2brr n THR 100 Cb 0.38 -0.40 -0.04 0.00 -1.82 0.00 0.00 70.33 68.45 2brr n THR 100 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2brr s TYR 100 N -1.97 3.35 0.00 -1.42 2.02 -1.26 -5.09 117.35 112.99 2brr s TYR 100 Ca 0.00 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 2brr s TYR 100 Cb 0.00 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2brr s TYR 100 CO 0.00 0.53 0.00 -0.35 -1.57 0.00 0.00 175.55 174.16 2brr n PRO 100 N -0.31 1.22 -1.86 -1.71 -0.04 -1.26 -0.74 135.00 130.31 2brr n PRO 100 Ca -0.07 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 2brr n PRO 100 Cb 0.54 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.05 2brr n PRO 100 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2brr n TYR 100 N -0.36 -0.94 -4.35 0.54 4.01 -1.25 -4.83 117.16 109.98 2brr n TYR 100 Ca 0.00 -0.85 -0.27 0.00 -0.16 0.00 0.00 57.90 56.62 2brr n TYR 100 Cb 0.00 0.97 -0.08 0.00 -0.31 0.00 0.00 39.34 39.92 2brr n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2brr s ALA 100 N 0.06 3.58 -0.23 -0.72 0.00 -1.26 -5.01 121.76 118.18 2brr s ALA 100 Ca 0.04 -1.89 0.02 0.00 0.00 0.00 0.00 51.96 50.13 2brr s ALA 100 Cb 0.20 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.19 2brr s ALA 100 CO -0.06 -0.15 -0.14 -1.64 0.00 0.00 0.00 175.76 173.76 2brr s MET 100 N -3.87 2.53 -0.18 0.00 -1.94 -1.26 -0.31 119.30 114.27 2brr s MET 100 Ca 0.34 -1.14 -0.16 0.00 -1.71 0.00 0.00 55.69 53.03 2brr s MET 100 Cb 0.05 -2.76 -0.22 0.00 2.01 0.00 0.00 34.83 33.92 2brr s MET 100 CO 0.19 -0.43 0.26 -0.40 -0.01 0.00 0.00 175.02 174.62 2brr n ASP 101 N 4.51 1.96 -4.52 3.03 5.68 -0.73 -4.87 116.55 121.61 2brr n ASP 101 Ca -0.17 0.34 -0.34 0.00 -0.50 0.00 0.00 54.79 54.12 2brr n ASP 101 Cb 0.45 -0.92 -0.12 0.00 -1.14 0.00 0.00 41.12 39.39 2brr n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 2brr s TYR 102 N -2.44 2.98 0.02 2.11 1.51 -1.26 -4.99 117.35 115.29 2brr s TYR 102 Ca -0.27 -0.21 0.08 0.00 -1.01 0.00 0.00 57.07 55.67 2brr s TYR 102 Cb 0.06 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 2brr s TYR 102 CO 0.66 0.08 -0.25 -1.58 -1.11 0.00 0.00 175.55 173.35 2brr s TRP 103 N -0.06 2.18 1.11 2.71 0.52 -1.26 -0.93 118.94 123.21 2brr s TRP 103 Ca 0.01 -0.40 -0.15 0.00 0.02 0.00 0.00 56.10 55.58 2brr s TRP 103 Cb -0.13 -1.34 0.25 0.00 -1.15 0.00 0.00 33.47 31.10 2brr s TRP 103 CO 0.03 0.06 1.07 0.20 0.02 0.00 0.00 176.95 178.33 2brr s GLY 104 N -1.00 1.55 0.00 0.98 0.00 0.04 -4.62 107.32 104.28 2brr s GLY 104 Ca 0.10 -0.49 0.29 0.00 0.00 0.00 0.00 44.72 44.63 2brr s GLY 104 CO 0.01 0.24 1.94 0.61 0.00 0.00 0.00 173.10 175.90 2brr n GLN 105 N -4.58 0.10 0.00 2.90 0.00 -1.25 -4.80 117.38 109.74 2brr n GLN 105 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.06 2brr n GLN 105 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.31 2brr n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2brr n GLY 106 N 1.45 -0.08 2.91 2.61 0.00 -1.26 -5.03 105.19 105.80 2brr n GLY 106 Ca 0.09 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 2brr n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2brr s THR 107 N -2.98 1.09 -0.09 2.61 2.01 0.58 -4.88 115.64 113.98 2brr s THR 107 Ca 0.00 -0.38 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 2brr s THR 107 Cb 0.00 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 2brr s THR 107 CO 0.00 0.33 0.80 -0.89 -0.69 0.00 0.00 174.62 174.17 2brr s THR 108 N 1.67 4.96 -0.13 -0.82 2.01 -1.26 -0.71 115.64 121.35 2brr s THR 108 Ca 0.04 1.63 -0.01 0.00 0.31 0.00 0.00 61.69 63.66 2brr s THR 108 Cb -0.13 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2brr s THR 108 CO -0.08 0.16 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.22 2brr s VAL 109 N 1.29 3.39 -0.17 3.82 1.01 0.11 -1.31 120.40 128.54 2brr s VAL 109 Ca 0.41 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 2brr s VAL 109 Cb -0.18 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2brr s VAL 109 CO 0.18 0.52 -0.14 -0.89 0.00 0.00 0.00 175.10 174.77 2brr s THR 110 N 0.26 2.75 -0.29 3.92 2.01 -0.31 -2.16 115.64 121.82 2brr s THR 110 Ca -0.07 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 2brr s THR 110 Cb -0.15 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 2brr s THR 110 CO 0.04 0.50 0.12 -0.69 -0.69 0.00 0.00 174.62 173.90 2brr s VAL 111 N 0.95 4.40 -0.17 3.82 1.01 -1.26 -0.94 120.40 128.21 2brr s VAL 111 Ca -0.03 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2brr s VAL 111 Cb -0.15 -3.21 0.11 0.00 0.00 0.00 0.00 36.38 33.13 2brr s VAL 111 CO -0.02 0.13 0.91 -0.55 0.00 0.00 0.00 175.10 175.58 2brr s SER 112 N 1.59 -0.48 0.00 3.32 0.15 0.39 -4.75 113.70 113.92 2brr s SER 112 Ca 0.05 0.66 0.28 0.00 0.70 0.00 0.00 55.95 57.64 2brr s SER 112 Cb -0.17 0.58 0.99 0.00 -1.71 0.00 0.00 66.02 65.72 2brr s SER 112 CO 0.05 -0.35 1.71 -1.20 1.20 0.00 0.00 173.24 174.65 2brr n SER 113 N 1.26 1.02 -4.77 5.45 7.64 -1.26 -3.78 113.62 119.18 2brr n SER 113 Ca -0.13 -1.03 -0.36 0.00 1.01 0.00 0.00 58.87 58.36 2brr n SER 113 Cb 0.57 0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2brr n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2brr s ALA 114 N -2.32 2.82 0.85 -0.43 0.00 -1.26 -5.04 121.76 116.39 2brr s ALA 114 Ca 0.31 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 2brr s ALA 114 Cb 0.20 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 20.05 2brr s ALA 114 CO 0.45 -0.73 1.09 0.15 0.00 0.00 0.00 175.76 176.71 2brr s LYS 115 N -3.01 1.61 -0.00 0.00 1.02 -1.26 -5.02 119.74 113.07 2brr s LYS 115 Ca 0.69 0.99 -0.30 0.00 0.02 0.00 0.00 55.97 57.37 2brr s LYS 115 Cb -0.26 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 2brr s LYS 115 CO 0.31 -2.04 0.97 0.99 -0.92 0.00 0.00 175.35 174.65 2brr s THR 116 N -2.90 4.88 -0.17 2.17 2.01 -1.26 -4.77 115.64 115.60 2brr s THR 116 Ca 0.63 2.03 0.01 0.00 0.31 0.00 0.00 61.69 64.67 2brr s THR 116 Cb -0.18 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.03 2brr s THR 116 CO 0.57 0.16 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.58 2brr s THR 117 N 1.00 2.23 0.37 -0.82 2.01 0.26 -4.95 115.64 115.73 2brr s THR 117 Ca 0.51 -0.90 -0.26 0.00 0.31 0.00 0.00 61.69 61.35 2brr s THR 117 Cb -0.21 -1.93 -0.09 0.00 0.01 0.00 0.00 72.50 70.28 2brr s THR 117 CO 0.28 0.53 1.13 0.00 -0.69 0.00 0.00 174.62 175.87 2brr s ALA 118 N 1.07 3.21 0.53 7.40 0.00 -1.26 -1.00 121.76 131.71 2brr s ALA 118 Ca -0.01 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 2brr s ALA 118 Cb -0.14 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 2brr s ALA 118 CO -0.07 -0.39 1.09 -1.25 0.00 0.00 0.00 175.76 175.14 2brr s PRO 119 N -2.13 3.51 0.29 0.00 0.04 -1.26 -4.60 135.00 130.86 2brr s PRO 119 Ca 0.54 1.47 -0.20 0.00 0.04 0.00 0.00 61.00 62.85 2brr s PRO 119 Cb -0.29 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 2brr s PRO 119 CO 0.37 -0.69 0.81 -1.12 0.04 0.00 0.00 177.00 176.41 2brr s SER 120 N -1.96 7.06 -0.12 6.66 0.01 0.29 -4.88 113.70 120.76 2brr s SER 120 Ca 0.70 1.52 -0.01 0.00 1.31 0.00 0.00 55.95 59.47 2brr s SER 120 Cb -0.20 -2.46 0.03 0.00 0.21 0.00 0.00 66.02 63.60 2brr s SER 120 CO 0.25 -0.08 -0.06 -0.69 0.41 0.00 0.00 173.24 173.07 2brr s VAL 121 N -1.71 0.98 -0.01 3.43 1.01 -1.26 -0.21 120.40 122.63 2brr s VAL 121 Ca 0.49 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2brr s VAL 121 Cb -0.15 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2brr s VAL 121 CO 0.20 0.29 -0.22 -0.31 0.00 0.00 0.00 175.10 175.06 2brr s TYR 122 N 1.72 1.96 0.31 5.22 2.02 0.70 -4.97 117.35 124.31 2brr s TYR 122 Ca 0.04 -0.37 -0.18 0.00 -0.37 0.00 0.00 57.07 56.19 2brr s TYR 122 Cb -0.13 -1.26 -0.09 0.00 -0.40 0.00 0.00 41.96 40.08 2brr s TYR 122 CO -0.08 -0.03 0.78 -1.25 -1.57 0.00 0.00 175.55 173.40 2brr s PRO 123 N -0.54 4.17 -0.21 -1.71 0.04 -1.26 -0.11 135.00 135.38 2brr s PRO 123 Ca 0.08 0.86 0.01 0.00 0.04 0.00 0.00 61.00 61.99 2brr s PRO 123 Cb -0.08 -2.57 0.04 0.00 0.04 0.00 0.00 34.50 31.93 2brr s PRO 123 CO -0.01 0.22 -0.12 -0.51 0.04 0.00 0.00 177.00 176.62 2brr s LEU 124 N -2.61 2.51 0.02 -3.56 1.43 0.06 -4.85 118.68 111.68 2brr s LEU 124 Ca 0.51 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2brr s LEU 124 Cb -0.13 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 2brr s LEU 124 CO 0.18 -0.14 -0.04 0.00 0.23 0.00 0.00 176.35 176.59 2brr s ALA 125 N 1.32 0.19 0.43 4.21 0.00 -1.26 -0.76 121.76 125.89 2brr s ALA 125 Ca -0.02 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 2brr s ALA 125 Cb -0.17 0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 2brr s ALA 125 CO -0.08 -0.12 1.43 -1.25 0.00 0.00 0.00 175.76 175.74 2brr s PRO 126 N -1.35 3.79 0.09 0.00 0.04 -1.26 -4.88 135.00 131.43 2brr s PRO 126 Ca -0.14 2.43 -0.36 0.00 0.04 0.00 0.00 61.00 62.97 2brr s PRO 126 Cb -0.09 -2.73 -0.17 0.00 0.04 0.00 0.00 34.50 31.55 2brr s PRO 126 CO -0.01 -0.74 1.25 1.33 0.04 0.00 0.00 177.00 178.88 2brr n VAL 127 N -0.04 0.18 -1.50 -0.36 0.24 -1.26 -1.03 118.33 114.55 2brr n VAL 127 Ca 0.04 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 2brr n VAL 127 Cb 0.41 -0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 32.04 2brr n VAL 127 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2brr n GLY 129 N -0.32 -0.35 3.67 0.00 0.00 -0.20 -4.77 105.19 103.23 2brr n GLY 129 Ca -0.16 -0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.37 2brr n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2brr n ASP 130 N -1.97 3.11 -4.81 1.61 8.00 0.49 -4.93 116.55 118.06 2brr n ASP 130 Ca -0.25 1.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.97 2brr n ASP 130 Cb 0.69 -1.36 0.04 0.00 -0.02 0.00 0.00 41.12 40.47 2brr n ASP 130 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2brr s THR 131 N 2.67 3.88 -0.47 -3.53 -4.23 -1.26 -4.82 115.64 107.88 2brr s THR 131 Ca 0.88 0.72 0.09 0.00 -1.18 0.00 0.00 61.69 62.20 2brr s THR 131 Cb -0.74 -3.35 0.34 0.00 1.34 0.00 0.00 72.50 70.09 2brr s THR 131 CO 0.48 -0.69 0.83 1.07 -0.54 0.00 0.00 174.62 175.76 2brr n THR 132 N -2.70 1.37 -2.62 3.99 5.66 -1.25 -5.09 114.28 113.64 2brr n THR 132 Ca 0.08 -5.05 0.00 0.00 -3.05 0.00 0.00 64.05 56.03 2brr n THR 132 Cb 0.53 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 2brr n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2brr n GLY 133 N 0.08 0.80 0.02 1.09 0.00 -1.26 -3.75 105.19 102.18 2brr n GLY 133 Ca 0.28 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.68 2brr n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2brr n SER 134 N 4.68 0.19 -4.31 1.61 3.41 -1.26 -4.71 113.62 113.22 2brr n SER 134 Ca 0.00 0.50 -0.18 0.00 -0.26 0.00 0.00 58.87 58.92 2brr n SER 134 Cb 0.00 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.31 2brr n SER 134 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2brr s SER 135 N -3.33 2.36 -0.02 4.04 0.01 -1.25 -1.18 113.70 114.33 2brr s SER 135 Ca 0.13 -0.96 0.02 0.00 1.31 0.00 0.00 55.95 56.45 2brr s SER 135 Cb 0.18 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2brr s SER 135 CO 0.55 -0.17 -0.06 0.54 0.41 0.00 0.00 173.24 174.51 2brr s VAL 136 N -2.76 0.50 -0.17 3.43 0.11 0.34 -3.78 120.40 118.06 2brr s VAL 136 Ca 0.18 -0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 58.96 2brr s VAL 136 Cb -0.02 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2brr s VAL 136 CO 0.05 0.16 0.01 -0.89 -3.33 0.00 0.00 175.10 171.11 2brr s THR 137 N 0.19 4.31 0.36 5.04 2.01 -1.26 -1.42 115.64 124.88 2brr s THR 137 Ca -0.02 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 61.86 2brr s THR 137 Cb -0.06 -2.93 -0.06 0.00 0.01 0.00 0.00 72.50 69.46 2brr s THR 137 CO -0.00 0.47 0.00 -0.76 -0.69 0.00 0.00 174.62 173.64 2brr s LEU 138 N 0.46 2.91 0.34 4.42 1.43 0.39 -4.57 118.68 124.05 2brr s LEU 138 Ca -0.00 -1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 51.93 2brr s LEU 138 Cb -0.13 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2brr s LEU 138 CO 0.02 -0.31 0.48 -0.83 0.23 0.00 0.00 176.35 175.93 2brr s GLY 139 N -3.71 1.46 -0.04 -3.19 0.00 0.06 -0.16 107.32 101.74 2brr s GLY 139 Ca 0.35 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 2brr s GLY 139 CO 0.19 -0.99 0.06 0.00 0.00 0.00 0.00 173.10 172.36 2brr s LEU 141 N 1.53 3.16 -0.38 0.00 2.96 0.84 -1.48 118.68 125.32 2brr s LEU 141 Ca -0.04 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2brr s LEU 141 Cb -0.12 -1.82 0.09 0.00 0.50 0.00 0.00 46.19 44.83 2brr s LEU 141 CO -0.04 -0.02 0.15 -0.69 -1.32 0.00 0.00 176.35 174.44 2brr s VAL 142 N 1.48 3.26 -0.13 1.68 1.01 0.51 -0.21 120.40 128.00 2brr s VAL 142 Ca 0.06 -1.81 0.03 0.00 0.00 0.00 0.00 61.98 60.25 2brr s VAL 142 Cb -0.15 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2brr s VAL 142 CO 0.00 -0.51 -0.21 -0.75 0.00 0.00 0.00 175.10 173.63 2brr s LYS 143 N 1.19 2.89 0.00 2.72 2.20 0.71 -0.69 119.74 128.77 2brr s LYS 143 Ca 0.04 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2brr s LYS 143 Cb -0.22 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 2brr s LYS 143 CO -0.03 -0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 2brr n GLY 144 N 4.03 0.49 3.26 5.54 0.00 0.52 -0.54 105.19 118.49 2brr n GLY 144 Ca -0.20 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 2brr n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2brr s TYR 145 N -2.91 1.43 -0.28 1.61 1.13 -0.43 -4.00 117.35 113.91 2brr s TYR 145 Ca 0.00 -0.60 -0.22 0.00 -1.41 0.00 0.00 57.07 54.84 2brr s TYR 145 Cb 0.00 -0.73 0.09 0.00 -1.10 0.00 0.00 41.96 40.22 2brr s TYR 145 CO 0.00 0.17 0.78 0.12 -2.51 0.00 0.00 175.55 174.11 2brr s PHE 146 N -2.55 -0.80 0.85 -3.49 5.36 -0.17 -0.93 117.98 116.25 2brr s PHE 146 Ca 0.13 1.80 -0.11 0.00 -0.96 0.00 0.00 56.93 57.80 2brr s PHE 146 Cb -0.02 0.40 0.15 0.00 -0.34 0.00 0.00 43.02 43.20 2brr s PHE 146 CO 0.03 -0.39 1.19 -1.25 -1.46 0.00 0.00 175.22 173.34 2brr s PRO 147 N 0.81 1.25 0.72 10.12 0.04 -1.26 -0.57 135.00 146.10 2brr s PRO 147 Ca -0.03 -0.48 -0.14 0.00 0.04 0.00 0.00 61.00 60.38 2brr s PRO 147 Cb -0.05 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.51 2brr s PRO 147 CO -0.08 -1.94 1.16 -1.21 0.04 0.00 0.00 177.00 174.97 2brr s GLU 148 N -5.60 2.34 0.50 4.56 2.02 -1.26 -4.74 118.70 116.52 2brr s GLU 148 Ca 0.69 1.56 0.05 0.00 0.02 0.00 0.00 54.97 57.29 2brr s GLU 148 Cb -0.06 -1.88 0.03 0.00 0.10 0.00 0.00 34.13 32.32 2brr s GLU 148 CO 0.49 -1.64 0.69 -1.25 0.02 0.00 0.00 175.26 173.57 2brr s PRO 149 N -4.10 2.61 0.22 0.39 0.04 -1.26 -4.96 135.00 127.95 2brr s PRO 149 Ca 0.70 -1.11 0.10 0.00 0.04 0.00 0.00 61.00 60.73 2brr s PRO 149 Cb -0.24 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 2brr s PRO 149 CO 0.45 -0.55 -0.12 0.14 0.04 0.00 0.00 177.00 176.97 2brr s VAL 150 N -2.57 2.99 -0.17 -0.36 -7.23 -1.26 -4.42 120.40 107.38 2brr s VAL 150 Ca 0.57 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 2brr s VAL 150 Cb -0.09 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 2brr s VAL 150 CO 0.36 -0.22 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.97 2brr s THR 151 N -1.97 3.36 -0.10 5.32 2.01 0.09 -4.96 115.64 119.40 2brr s THR 151 Ca 0.26 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.77 2brr s THR 151 Cb -0.07 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.97 2brr s THR 151 CO 0.15 0.48 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.12 2brr s LEU 152 N 0.71 2.05 0.23 4.42 0.20 -1.26 -0.25 118.68 124.79 2brr s LEU 152 Ca -0.04 -0.54 0.04 0.00 0.69 0.00 0.00 54.13 54.29 2brr s LEU 152 Cb -0.15 -1.36 -0.05 0.00 -0.43 0.00 0.00 46.19 44.20 2brr s LEU 152 CO 0.02 0.15 -0.03 0.42 -0.29 0.00 0.00 176.35 176.62 2brr s THR 153 N 0.36 1.21 -0.14 3.68 -4.23 0.23 -4.96 115.64 111.79 2brr s THR 153 Ca -0.19 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.27 2brr s THR 153 Cb -0.18 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2brr s THR 153 CO 0.09 -0.39 -0.18 0.26 -0.54 0.00 0.00 174.62 173.86 2brr s TRP 154 N -3.30 2.73 -1.54 3.99 0.52 -1.26 0.27 118.94 120.35 2brr s TRP 154 Ca 0.27 -1.09 -0.16 0.00 0.02 0.00 0.00 56.10 55.14 2brr s TRP 154 Cb 0.05 -1.85 0.13 0.00 -1.15 0.00 0.00 33.47 30.64 2brr s TRP 154 CO 0.08 -0.48 0.71 0.09 0.02 0.00 0.00 176.95 177.36 2brr n ASN 155 N 3.97 -3.51 -0.64 2.95 3.02 0.14 -1.59 115.26 119.61 2brr n ASN 155 Ca -0.19 -0.79 -0.08 0.00 -0.03 0.00 0.00 54.58 53.49 2brr n ASN 155 Cb 0.52 -2.88 -0.04 0.00 -0.61 0.00 0.00 39.78 36.78 2brr n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2brr n SER 156 N -2.53 -4.11 0.00 6.41 7.64 -1.26 -2.16 113.62 117.61 2brr n SER 156 Ca 0.05 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2brr n SER 156 Cb 0.50 -2.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.36 2brr n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2brr n GLY 157 N -1.82 0.43 0.14 0.23 0.00 -0.62 -4.93 105.19 98.62 2brr n GLY 157 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2brr n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2brr h SER 158 N 0.00 0.00 -3.44 1.61 4.64 -1.40 -3.36 113.55 111.60 2brr h SER 158 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 2brr h SER 158 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 2brr h SER 158 CO 0.00 0.00 -0.47 -0.22 -0.87 0.00 0.00 176.83 175.27 2brr s LEU 159 N -4.78 5.24 0.00 5.97 2.96 -1.01 -4.90 118.68 122.16 2brr s LEU 159 Ca 0.07 -1.68 0.00 0.00 -0.22 0.00 0.00 54.13 52.30 2brr s LEU 159 Cb 0.10 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.84 2brr s LEU 159 CO 0.52 -0.56 0.00 -1.54 -1.32 0.00 0.00 176.35 173.45 2brr n SER 160 N 4.85 4.00 -4.80 3.68 3.41 -1.26 -4.22 113.62 119.27 2brr n SER 160 Ca -0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.18 2brr n SER 160 Cb 0.42 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.59 2brr n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2brr s SER 161 N -3.17 6.61 -1.18 4.04 0.01 -1.26 -3.96 113.70 114.79 2brr s SER 161 Ca 0.00 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.14 2brr s SER 161 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2brr s SER 161 CO 0.00 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.67 2brr n GLY 162 N -0.23 0.03 3.71 3.44 0.00 -1.26 -4.69 105.19 106.18 2brr n GLY 162 Ca 0.08 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2brr n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2brr s VAL 163 N -2.65 4.40 -0.17 1.61 1.01 -1.25 -0.79 120.40 122.56 2brr s VAL 163 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2brr s VAL 163 Cb 0.00 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.53 2brr s VAL 163 CO 0.00 0.53 -0.03 -1.00 0.00 0.00 0.00 175.10 174.61 2brr s HIS 164 N -0.97 1.52 -0.25 5.22 3.76 -0.26 -4.98 115.29 119.33 2brr s HIS 164 Ca 0.16 -1.00 -0.08 0.00 -0.15 0.00 0.00 55.06 53.98 2brr s HIS 164 Cb -0.11 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 2brr s HIS 164 CO 0.05 -0.60 0.10 0.99 -0.85 0.00 0.00 174.74 174.43 2brr s THR 165 N 1.69 4.61 0.08 1.30 2.01 -1.26 -0.56 115.64 123.51 2brr s THR 165 Ca 0.00 -0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.70 2brr s THR 165 Cb -0.16 -3.16 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 2brr s THR 165 CO -0.07 0.33 0.69 -0.36 -0.69 0.00 0.00 174.62 174.51 2brr s PHE 166 N 1.54 3.80 0.49 4.92 0.08 0.31 -5.00 117.98 124.11 2brr s PHE 166 Ca 0.06 1.42 -0.22 0.00 0.12 0.00 0.00 56.93 58.31 2brr s PHE 166 Cb -0.15 -2.68 -0.08 0.00 -0.57 0.00 0.00 43.02 39.53 2brr s PHE 166 CO 0.05 0.45 1.01 -2.30 -0.10 0.00 0.00 175.22 174.33 2brr n PRO 167 N 2.13 1.25 -2.07 0.24 -0.02 -1.26 -4.24 135.00 131.03 2brr n PRO 167 Ca -0.06 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.51 2brr n PRO 167 Cb 0.50 -2.12 0.02 0.00 -0.02 0.00 0.00 33.50 31.88 2brr n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2brr s ALA 168 N -1.36 2.77 0.34 3.55 0.00 -1.26 -4.83 121.76 120.97 2brr s ALA 168 Ca 0.67 1.04 0.09 0.00 0.00 0.00 0.00 51.96 53.76 2brr s ALA 168 Cb -0.50 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.11 2brr s ALA 168 CO 0.54 -1.00 -0.08 0.14 0.00 0.00 0.00 175.76 175.36 2brr s VAL 169 N -1.52 2.14 -0.50 0.00 -7.23 -0.12 -4.93 120.40 108.24 2brr s VAL 169 Ca 0.71 -2.17 -0.18 0.00 -1.81 0.00 0.00 61.98 58.52 2brr s VAL 169 Cb -0.31 -2.66 0.06 0.00 0.56 0.00 0.00 36.38 34.02 2brr s VAL 169 CO 0.36 -0.19 0.58 -0.76 -0.31 0.00 0.00 175.10 174.79 2brr s LEU 170 N -3.60 5.06 -0.16 1.32 1.43 -1.26 -1.20 118.68 120.28 2brr s LEU 170 Ca 0.32 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2brr s LEU 170 Cb 0.03 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2brr s LEU 170 CO 0.16 -0.84 -0.16 -1.58 0.23 0.00 0.00 176.35 174.16 2brr s GLN 171 N 2.46 3.16 -1.58 1.70 0.74 0.14 -4.60 119.66 121.67 2brr s GLN 171 Ca 0.13 -0.77 -0.15 0.00 0.05 0.00 0.00 55.36 54.62 2brr s GLN 171 Cb -0.20 -2.60 0.11 0.00 1.10 0.00 0.00 33.01 31.41 2brr s GLN 171 CO 0.11 -0.03 0.92 0.43 -0.55 0.00 0.00 175.29 176.17 2brr n SER 172 N 4.17 -4.28 -0.32 6.67 7.64 -1.26 -1.38 113.62 124.85 2brr n SER 172 Ca -0.19 -0.85 -0.04 0.00 1.01 0.00 0.00 58.87 58.79 2brr n SER 172 Cb 0.51 -3.55 -0.02 0.00 -1.01 0.00 0.00 64.21 60.15 2brr n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2brr n ASP 173 N -2.79 -4.91 -4.42 6.43 8.00 -1.26 -4.98 116.55 112.62 2brr n ASP 173 Ca 0.04 0.10 -0.21 0.00 0.71 0.00 0.00 54.79 55.44 2brr n ASP 173 Cb 0.52 -2.78 -0.10 0.00 -0.02 0.00 0.00 41.12 38.73 2brr n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2brr s LEU 174 N -0.96 2.30 0.12 0.64 1.43 -0.48 -5.03 118.68 116.70 2brr s LEU 174 Ca 0.00 -1.29 -0.20 0.00 -1.03 0.00 0.00 54.13 51.61 2brr s LEU 174 Cb 0.00 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.69 2brr s LEU 174 CO 0.00 -0.50 0.64 -0.31 0.23 0.00 0.00 176.35 176.41 2brr s TYR 175 N -3.21 3.80 -0.06 0.29 2.02 -0.10 0.23 117.35 120.32 2brr s TYR 175 Ca 0.33 1.36 0.03 0.00 -0.37 0.00 0.00 57.07 58.41 2brr s TYR 175 Cb 0.07 -2.57 0.01 0.00 -0.40 0.00 0.00 41.96 39.07 2brr s TYR 175 CO 0.13 0.53 -0.13 0.99 -1.57 0.00 0.00 175.55 175.50 2brr s THR 176 N -1.19 1.17 0.29 -0.71 2.01 -0.34 -0.35 115.64 116.52 2brr s THR 176 Ca 0.33 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2brr s THR 176 Cb -0.20 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 2brr s THR 176 CO 0.21 0.36 0.09 -1.48 -0.69 0.00 0.00 174.62 173.11 2brr s LEU 177 N 0.48 1.80 0.05 4.42 0.05 0.14 -0.95 118.68 124.67 2brr s LEU 177 Ca -0.11 -1.40 -0.01 0.00 0.05 0.00 0.00 54.13 52.66 2brr s LEU 177 Cb -0.14 -0.08 -0.04 0.00 -2.05 0.00 0.00 46.19 43.88 2brr s LEU 177 CO 0.03 -0.71 -0.03 -0.94 -0.55 0.00 0.00 176.35 174.15 2brr s SER 178 N -3.38 0.48 0.01 1.48 1.04 -1.26 -0.36 113.70 111.72 2brr s SER 178 Ca 0.37 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.91 2brr s SER 178 Cb 0.08 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 2brr s SER 178 CO 0.14 -0.53 -0.05 -0.55 0.98 0.00 0.00 173.24 173.23 2brr s SER 179 N -2.64 0.56 0.07 7.02 0.15 -0.55 -0.53 113.70 117.79 2brr s SER 179 Ca 0.03 -0.28 0.07 0.00 0.70 0.00 0.00 55.95 56.47 2brr s SER 179 Cb 0.04 -0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 2brr s SER 179 CO -0.08 -0.08 -0.12 -0.94 1.20 0.00 0.00 173.24 173.22 2brr s SER 180 N -0.74 4.23 -0.02 5.45 1.04 0.28 -0.97 113.70 122.97 2brr s SER 180 Ca -0.04 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.04 2brr s SER 180 Cb -0.05 -0.79 -0.00 0.00 0.10 0.00 0.00 66.02 65.27 2brr s SER 180 CO -0.00 0.21 -0.09 0.54 0.98 0.00 0.00 173.24 174.88 2brr s VAL 181 N -1.10 0.78 -0.13 5.02 0.11 0.77 -1.10 120.40 124.75 2brr s VAL 181 Ca 0.19 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.86 2brr s VAL 181 Cb -0.11 -0.68 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 2brr s VAL 181 CO 0.10 0.23 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.02 2brr s THR 182 N -0.03 2.42 0.30 5.04 2.01 0.03 -0.46 115.64 124.95 2brr s THR 182 Ca 0.01 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.15 2brr s THR 182 Cb -0.06 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 2brr s THR 182 CO 0.00 0.54 0.10 0.68 -0.69 0.00 0.00 174.62 175.25 2brr s VAL 183 N 0.54 0.72 0.48 3.82 -7.23 -0.51 -4.67 120.40 113.56 2brr s VAL 183 Ca -0.12 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.84 2brr s VAL 183 Cb -0.16 -2.63 -0.08 0.00 0.56 0.00 0.00 36.38 34.07 2brr s VAL 183 CO 0.04 0.00 1.07 0.42 -0.31 0.00 0.00 175.10 176.32 2brr s THR 184 N -3.53 3.57 0.47 5.32 -4.23 -1.26 -0.51 115.64 115.46 2brr s THR 184 Ca 0.35 1.03 0.25 0.00 -1.18 0.00 0.00 61.69 62.15 2brr s THR 184 Cb 0.07 -3.45 0.44 0.00 1.34 0.00 0.00 72.50 70.90 2brr s THR 184 CO 0.15 -0.16 1.83 0.28 -0.54 0.00 0.00 174.62 176.19 2brr h SER 185 N 1.69 0.24 0.73 3.99 0.02 -1.40 0.50 113.55 119.32 2brr h SER 185 Ca -0.49 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2brr h SER 185 Cb 1.23 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2brr h SER 185 CO 0.59 0.07 0.00 -1.54 -1.14 0.00 0.00 176.83 174.81 2brr n SER 186 N -4.42 0.00 0.01 3.07 3.41 -1.26 -3.47 113.62 110.96 2brr n SER 186 Ca 0.22 0.25 -0.21 0.00 -0.26 0.00 0.00 58.87 58.87 2brr n SER 186 Cb 0.91 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 2brr n SER 186 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2brr h THR 187 N 0.00 1.17 -4.07 6.66 2.02 -1.26 -3.43 112.91 114.01 2brr h THR 187 Ca 0.00 -2.43 -0.48 0.00 0.77 0.00 0.00 66.41 64.27 2brr h THR 187 Cb 0.36 2.84 -0.30 0.00 -1.74 0.00 0.00 68.15 69.32 2brr h THR 187 CO 0.00 0.69 -0.81 0.86 0.37 0.00 0.00 175.52 176.63 2brr s TRP 188 N -2.45 1.23 -2.05 3.16 -0.00 -1.22 0.37 118.94 117.97 2brr s TRP 188 Ca -0.18 -0.27 0.14 0.00 -0.00 0.00 0.00 56.10 55.79 2brr s TRP 188 Cb 0.03 -0.81 0.71 0.00 -0.00 0.00 0.00 33.47 33.40 2brr s TRP 188 CO 0.78 -0.06 1.47 -0.35 -0.00 0.00 0.00 176.95 178.79 2brr n PRO 189 N 2.92 1.21 0.19 5.86 -0.04 -1.26 -4.74 135.00 139.14 2brr n PRO 189 Ca -0.16 -0.32 0.07 0.00 -0.04 0.00 0.00 63.50 63.05 2brr n PRO 189 Cb 0.55 -1.24 0.58 0.00 -0.04 0.00 0.00 33.50 33.35 2brr n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2brr h SER 190 N 0.60 0.13 -2.95 3.54 4.64 -1.83 -3.42 113.55 114.27 2brr h SER 190 Ca 0.00 -0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2brr h SER 190 Cb 0.13 -0.03 -0.15 0.00 -0.31 0.00 0.00 62.40 62.04 2brr h SER 190 CO 0.00 0.09 -0.75 -1.10 -0.87 0.00 0.00 176.83 174.21 2brr s GLN 191 N -5.19 1.91 0.02 4.77 -0.21 0.16 -5.10 119.66 116.02 2brr s GLN 191 Ca -0.06 -1.38 -0.30 0.00 0.02 0.00 0.00 55.36 53.64 2brr s GLN 191 Cb 0.17 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 32.08 2brr s GLN 191 CO 0.69 0.41 1.20 0.45 -2.12 0.00 0.00 175.29 175.92 2brr s SER 192 N -2.89 7.07 -0.10 5.90 0.15 -1.26 -4.56 113.70 118.01 2brr s SER 192 Ca 0.25 1.93 0.02 0.00 0.70 0.00 0.00 55.95 58.85 2brr s SER 192 Cb -0.08 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2brr s SER 192 CO 0.14 -0.51 -0.15 -0.63 1.20 0.00 0.00 173.24 173.29 2brr s ILE 193 N 1.52 1.44 -0.04 6.45 1.01 -1.26 -4.97 121.20 125.36 2brr s ILE 193 Ca 0.58 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.62 2brr s ILE 193 Cb -0.27 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 40.90 2brr s ILE 193 CO 0.27 0.43 -0.03 -0.89 0.00 0.00 0.00 174.94 174.71 2brr s THR 194 N 0.97 0.42 -0.06 2.92 2.01 -1.26 -0.53 115.64 120.11 2brr s THR 194 Ca -0.07 -0.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.72 2brr s THR 194 Cb -0.15 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 2brr s THR 194 CO -0.01 0.19 0.36 0.00 -0.69 0.00 0.00 174.62 174.47 2brr s ASN 196 N -0.60 4.41 -0.17 0.00 -0.87 0.14 -1.02 114.94 116.83 2brr s ASN 196 Ca 0.21 -0.31 0.01 0.00 -1.57 0.00 0.00 52.86 51.20 2brr s ASN 196 Cb -0.15 -1.74 0.02 0.00 -0.02 0.00 0.00 41.25 39.36 2brr s ASN 196 CO 0.10 0.05 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.80 2brr s VAL 197 N 1.05 2.00 -0.12 1.60 1.01 0.34 -0.60 120.40 125.68 2brr s VAL 197 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2brr s VAL 197 Cb -0.15 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 2brr s VAL 197 CO 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 175.10 175.50 2brr s ALA 198 N 1.26 2.62 -0.47 5.51 0.00 0.66 -0.46 121.76 130.88 2brr s ALA 198 Ca 0.04 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2brr s ALA 198 Cb -0.13 -1.19 0.12 0.00 0.00 0.00 0.00 23.12 21.92 2brr s ALA 198 CO -0.12 0.27 0.21 -1.58 0.00 0.00 0.00 175.76 174.54 2brr s HIS 199 N 0.28 3.25 0.39 0.00 2.46 0.27 -0.73 115.29 121.21 2brr s HIS 199 Ca -0.10 -3.09 0.07 0.00 0.47 0.00 0.00 55.06 52.41 2brr s HIS 199 Cb -0.16 -2.79 0.82 0.00 -0.13 0.00 0.00 32.58 30.32 2brr s HIS 199 CO 0.05 -0.79 2.01 -1.00 -2.47 0.00 0.00 174.74 172.54 2brr h PRO 200 N 6.78 0.62 -0.58 2.88 0.13 -1.79 -1.64 132.00 138.39 2brr h PRO 200 Ca -0.07 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.11 2brr h PRO 200 Cb 0.92 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 2brr h PRO 200 CO 0.64 0.41 0.39 0.00 -0.23 0.00 0.00 178.00 179.21 2brr h ALA 201 N 1.67 1.94 -0.39 -0.56 0.00 -1.91 -2.06 119.26 117.96 2brr h ALA 201 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2brr h ALA 201 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2brr h ALA 201 CO -0.06 -0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.00 2brr n SER 202 N -4.47 3.07 -4.02 0.00 3.41 -0.72 -4.97 113.62 105.91 2brr n SER 202 Ca 0.09 -1.94 -0.31 0.00 -0.26 0.00 0.00 58.87 56.45 2brr n SER 202 Cb 0.31 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2brr n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2brr n SER 203 N 0.84 -3.57 -4.64 4.04 7.64 -0.70 -4.98 113.62 112.26 2brr n SER 203 Ca 0.14 -0.89 -0.32 0.00 1.01 0.00 0.00 58.87 58.81 2brr n SER 203 Cb 0.46 -3.40 -0.10 0.00 -1.01 0.00 0.00 64.21 60.17 2brr n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2brr s THR 204 N -3.39 3.87 -0.07 0.44 -4.23 -0.84 -4.99 115.64 106.43 2brr s THR 204 Ca 0.58 -0.74 -0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2brr s THR 204 Cb -0.30 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 70.86 2brr s THR 204 CO 0.87 0.35 0.08 -0.54 -0.54 0.00 0.00 174.62 174.85 2brr s LYS 205 N -1.57 -0.03 -0.07 3.99 1.02 -1.26 -0.57 119.74 121.25 2brr s LYS 205 Ca 0.19 0.33 0.05 0.00 0.02 0.00 0.00 55.97 56.56 2brr s LYS 205 Cb -0.11 -0.69 -0.01 0.00 -0.52 0.00 0.00 37.83 36.49 2brr s LYS 205 CO 0.10 -0.39 -0.22 0.08 -0.92 0.00 0.00 175.35 174.00 2brr s VAL 206 N 2.19 2.33 -0.17 3.17 1.01 0.40 -4.98 120.40 124.35 2brr s VAL 206 Ca 0.04 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2brr s VAL 206 Cb -0.13 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2brr s VAL 206 CO -0.05 0.57 -0.02 -1.81 0.00 0.00 0.00 175.10 173.79 2brr s ASP 207 N -0.16 4.84 -0.26 3.32 1.01 -1.26 -0.50 116.67 123.66 2brr s ASP 207 Ca -0.03 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.10 2brr s ASP 207 Cb -0.14 -1.80 0.07 0.00 1.01 0.00 0.00 42.92 42.06 2brr s ASP 207 CO 0.04 0.13 -0.04 -0.75 0.21 0.00 0.00 175.17 174.76 2brr s LYS 208 N 0.58 1.69 0.14 8.23 2.47 -0.19 -4.99 119.74 127.67 2brr s LYS 208 Ca -0.02 -1.24 -0.30 0.00 -1.56 0.00 0.00 55.97 52.85 2brr s LYS 208 Cb -0.14 -2.73 -0.07 0.00 -1.46 0.00 0.00 37.83 33.43 2brr s LYS 208 CO 0.02 -0.68 1.23 0.21 0.16 0.00 0.00 175.35 176.30 2brr s LYS 209 N 1.25 4.44 -0.34 4.03 2.20 -1.26 -1.08 119.74 128.98 2brr s LYS 209 Ca -0.03 1.88 -0.23 0.00 -0.36 0.00 0.00 55.97 57.23 2brr s LYS 209 Cb -0.19 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 2brr s LYS 209 CO -0.08 -0.20 0.78 0.42 -0.36 0.00 0.00 175.35 175.91 2brr s ILE 210 N 0.47 4.77 0.06 5.43 -1.09 0.31 -4.91 121.20 126.24 2brr s ILE 210 Ca 0.57 1.00 0.06 0.00 -2.23 0.00 0.00 60.65 60.04 2brr s ILE 210 Cb -0.32 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.35 2brr s ILE 210 CO 0.33 -0.35 -0.13 -1.61 -1.23 0.00 0.00 174.94 171.96 2brr s GLU 211 N 3.02 2.19 0.14 2.79 0.41 -1.26 -4.68 118.70 121.31 2brr s GLU 211 Ca 0.31 -0.94 -0.30 0.00 -0.41 0.00 0.00 54.97 53.63 2brr s GLU 211 Cb -0.14 -2.30 -0.07 0.00 -1.78 0.00 0.00 34.13 29.85 2brr s GLU 211 CO 0.15 0.54 1.06 -1.25 -0.49 0.00 0.00 175.26 175.27 2brr s PRO 212 N -1.72 4.61 -0.01 0.39 0.04 -1.26 -4.84 135.00 132.21 2brr s PRO 212 Ca 0.18 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.86 2brr s PRO 212 Cb -0.11 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.12 2brr s PRO 212 CO 0.09 0.09 -0.03 1.03 0.04 0.00 0.00 177.00 178.22 2brr s ARG 213 N -0.12 0.38 0.00 4.56 0.52 -1.26 -4.86 118.95 118.17 2brr s ARG 213 Ca 0.49 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 2brr s ARG 213 Cb -0.27 -0.41 0.00 0.00 0.52 0.00 0.00 34.95 34.79 2brr s ARG 213 CO 0.33 0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.08 2brr n GLY 214 N 3.32 4.00 0.00 -3.53 0.00 -1.26 -0.49 105.19 107.22 2brr n GLY 214 Ca -0.17 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.70 2brr n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93