#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brr s ASN 2 N 0.00 6.37 -0.02 -1.84 3.84 -1.26 -5.01 114.94 117.02 2brr s ASN 2 Ca 0.00 -1.72 -0.30 0.00 0.21 0.00 0.00 52.86 51.05 2brr s ASN 2 Cb 0.00 -2.32 -0.03 0.00 -0.55 0.00 0.00 41.25 38.35 2brr s ASN 2 CO 0.00 -1.06 1.05 -0.69 -2.79 0.00 0.00 177.10 173.61 2brr s VAL 3 N 2.45 4.64 -0.16 -5.21 1.01 -1.26 -4.69 120.40 117.18 2brr s VAL 3 Ca 0.19 1.90 -0.07 0.00 0.00 0.00 0.00 61.98 63.99 2brr s VAL 3 Cb -0.17 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2brr s VAL 3 CO 0.01 0.09 0.10 -0.76 0.00 0.00 0.00 175.10 174.54 2brr s LEU 4 N 1.43 4.09 -0.16 3.92 1.43 -1.26 -2.26 118.68 125.87 2brr s LEU 4 Ca 0.53 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 2brr s LEU 4 Cb -0.22 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 43.99 2brr s LEU 4 CO 0.25 0.27 -0.20 -0.89 0.23 0.00 0.00 176.35 176.01 2brr s THR 5 N -0.22 2.21 -0.01 5.49 2.01 0.62 -4.11 115.64 121.63 2brr s THR 5 Ca 0.09 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 2brr s THR 5 Cb -0.12 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 2brr s THR 5 CO 0.01 0.54 0.08 -1.10 -0.69 0.00 0.00 174.62 173.46 2brr s GLN 6 N 0.95 3.06 -0.01 4.92 -0.21 -1.26 -0.17 119.66 126.95 2brr s GLN 6 Ca -0.03 -0.48 -0.01 0.00 0.02 0.00 0.00 55.36 54.86 2brr s GLN 6 Cb -0.15 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 31.01 2brr s GLN 6 CO -0.04 0.65 0.03 0.45 -2.12 0.00 0.00 175.29 174.25 2brr s SER 7 N -1.70 -0.02 0.52 5.90 0.15 -0.82 -4.38 113.70 113.34 2brr s SER 7 Ca 0.22 0.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.79 2brr s SER 7 Cb -0.12 0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.19 2brr s SER 7 CO 0.13 -0.02 0.93 -2.16 1.20 0.00 0.00 173.24 173.32 2brr s PRO 8 N -0.03 3.75 0.28 5.44 0.04 -1.26 -0.09 135.00 143.12 2brr s PRO 8 Ca -0.01 0.69 -0.03 0.00 0.04 0.00 0.00 61.00 61.69 2brr s PRO 8 Cb -0.00 -2.20 0.37 0.00 0.04 0.00 0.00 34.50 32.70 2brr s PRO 8 CO 0.00 -0.31 1.93 0.00 0.04 0.00 0.00 177.00 178.67 2brr h ALA 9 N 0.51 1.34 -3.37 8.56 0.00 -1.81 -3.41 119.26 121.08 2brr h ALA 9 Ca -0.46 -0.08 -0.49 0.00 0.00 0.00 0.00 54.91 53.88 2brr h ALA 9 Cb 1.19 -0.34 -0.35 0.00 0.00 0.00 0.00 17.79 18.29 2brr h ALA 9 CO 0.62 0.59 -0.80 0.42 0.00 0.00 0.00 179.25 180.08 2brr s ILE 10 N -5.90 0.92 -0.08 0.00 1.01 -1.26 -0.62 121.20 115.27 2brr s ILE 10 Ca -0.12 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2brr s ILE 10 Cb 0.18 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 2brr s ILE 10 CO 0.80 0.32 -0.18 -0.32 0.00 0.00 0.00 174.94 175.56 2brr s MET 11 N 1.01 2.85 -0.10 2.79 1.75 0.60 -4.94 119.30 123.26 2brr s MET 11 Ca -0.09 -0.78 0.02 0.00 -1.25 0.00 0.00 55.69 53.60 2brr s MET 11 Cb -0.15 -2.38 -0.01 0.00 2.84 0.00 0.00 34.83 35.13 2brr s MET 11 CO -0.00 0.37 -0.17 0.45 -0.65 0.00 0.00 175.02 175.03 2brr s SER 12 N -0.11 3.74 -0.10 1.11 0.15 -1.26 0.09 113.70 117.32 2brr s SER 12 Ca -0.03 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.16 2brr s SER 12 Cb -0.14 -1.35 0.03 0.00 -1.71 0.00 0.00 66.02 62.85 2brr s SER 12 CO 0.04 0.21 0.26 0.00 1.20 0.00 0.00 173.24 174.95 2brr s ALA 13 N 0.10 -0.65 0.41 5.45 0.00 0.10 -4.94 121.76 122.22 2brr s ALA 13 Ca -0.08 0.79 -0.23 0.00 0.00 0.00 0.00 51.96 52.45 2brr s ALA 13 Cb -0.15 -0.46 -0.10 0.00 0.00 0.00 0.00 23.12 22.40 2brr s ALA 13 CO 0.05 -0.14 0.97 -1.54 0.00 0.00 0.00 175.76 175.10 2brr s SER 14 N 0.29 6.96 0.47 0.00 1.04 -1.26 -0.22 113.70 120.98 2brr s SER 14 Ca -0.01 1.79 -0.25 0.00 0.48 0.00 0.00 55.95 57.96 2brr s SER 14 Cb -0.03 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 2brr s SER 14 CO -0.01 -0.35 1.40 -2.84 0.98 0.00 0.00 173.24 172.43 2brr s PRO 15 N -2.82 3.58 0.00 4.02 0.02 -1.25 -1.45 135.00 137.10 2brr s PRO 15 Ca 0.59 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.97 2brr s PRO 15 Cb -0.14 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.81 2brr s PRO 15 CO 0.18 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 2brr n GLY 16 N 0.61 3.12 3.76 0.52 0.00 0.12 -4.86 105.19 108.47 2brr n GLY 16 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2brr n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2brr s GLU 17 N -0.38 3.75 -0.28 1.61 2.12 -0.53 -4.23 118.70 120.77 2brr s GLU 17 Ca 0.00 2.11 -0.14 0.00 0.36 0.00 0.00 54.97 57.30 2brr s GLU 17 Cb 0.00 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 2brr s GLU 17 CO 0.00 -0.66 0.33 0.21 -0.54 0.00 0.00 175.26 174.60 2brr s LYS 18 N -2.47 3.95 0.14 4.30 2.20 -1.25 -0.70 119.74 125.90 2brr s LYS 18 Ca 0.61 -0.10 0.06 0.00 -0.36 0.00 0.00 55.97 56.18 2brr s LYS 18 Cb -0.37 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 2brr s LYS 18 CO 0.46 -0.28 -0.13 0.14 -0.36 0.00 0.00 175.35 175.18 2brr s VAL 19 N 1.99 1.33 -0.03 4.02 -7.23 -0.61 -4.98 120.40 114.88 2brr s VAL 19 Ca 0.13 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2brr s VAL 19 Cb -0.16 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.13 2brr s VAL 19 CO 0.10 -0.53 0.01 -0.89 -0.31 0.00 0.00 175.10 173.48 2brr s THR 20 N -2.57 0.15 0.20 5.32 2.01 -1.26 -0.85 115.64 118.64 2brr s THR 20 Ca 0.13 0.12 0.10 0.00 0.31 0.00 0.00 61.69 62.34 2brr s THR 20 Cb -0.02 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2brr s THR 20 CO 0.03 0.14 -0.13 0.00 -0.69 0.00 0.00 174.62 173.97 2brr s MET 21 N 1.10 1.91 0.24 4.92 0.23 -0.66 -4.87 119.30 122.17 2brr s MET 21 Ca -0.09 -1.40 0.12 0.00 -1.03 0.00 0.00 55.69 53.29 2brr s MET 21 Cb -0.13 -2.04 -0.05 0.00 -1.53 0.00 0.00 34.83 31.08 2brr s MET 21 CO -0.02 0.41 -0.20 0.95 -2.03 0.00 0.00 175.02 174.13 2brr s THR 22 N -1.83 2.50 -0.09 3.16 -4.23 0.87 -1.42 115.64 114.60 2brr s THR 22 Ca 0.25 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 2brr s THR 22 Cb -0.08 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.52 2brr s THR 22 CO 0.14 -0.27 -0.02 0.00 -0.54 0.00 0.00 174.62 173.93 2brr s ARG 24 N 1.89 3.34 0.19 0.00 3.52 0.76 -0.77 118.95 127.89 2brr s ARG 24 Ca 0.05 -0.71 0.04 0.00 -0.13 0.00 0.00 55.73 54.98 2brr s ARG 24 Cb -0.13 -2.59 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 2brr s ARG 24 CO -0.06 0.21 0.28 0.00 -0.81 0.00 0.00 175.30 174.91 2brr s ALA 25 N 0.34 3.85 -0.85 6.12 0.00 0.20 -0.28 121.76 131.14 2brr s ALA 25 Ca -0.12 -1.17 0.17 0.00 0.00 0.00 0.00 51.96 50.84 2brr s ALA 25 Cb -0.16 -1.64 0.73 0.00 0.00 0.00 0.00 23.12 22.05 2brr s ALA 25 CO 0.06 0.40 1.54 0.43 0.00 0.00 0.00 175.76 178.19 2brr n SER 26 N -0.88 0.19 -4.76 0.00 7.64 -0.96 -4.83 113.62 110.02 2brr n SER 26 Ca -0.08 0.55 -0.39 0.00 1.01 0.00 0.00 58.87 59.96 2brr n SER 26 Cb 0.56 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 2brr n SER 26 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2brr s SER 27 N -3.36 7.04 -0.04 6.43 0.01 -1.26 -5.04 113.70 117.47 2brr s SER 27 Ca 0.06 1.24 0.04 0.00 1.31 0.00 0.00 55.95 58.60 2brr s SER 27 Cb 0.10 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 2brr s SER 27 CO 0.31 0.09 -0.15 -0.69 0.41 0.00 0.00 173.24 173.21 2brr s VAL 28 N -0.22 3.00 0.34 3.43 1.01 -0.21 -4.97 120.40 122.77 2brr s VAL 28 Ca 0.33 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 2brr s VAL 28 Cb -0.19 -2.17 -0.11 0.00 0.00 0.00 0.00 36.38 33.92 2brr s VAL 28 CO 0.19 0.58 1.43 -0.55 0.00 0.00 0.00 175.10 176.75 2brr s SER 29 N -0.75 6.52 0.65 3.32 0.15 -1.26 -4.03 113.70 118.30 2brr s SER 29 Ca 0.12 2.89 0.41 0.00 0.70 0.00 0.00 55.95 60.06 2brr s SER 29 Cb -0.11 -2.65 2.29 0.00 -1.71 0.00 0.00 66.02 63.84 2brr s SER 29 CO 0.01 -0.75 2.35 0.77 1.20 0.00 0.00 173.24 176.81 2brr h SER 30 N 3.49 0.00 0.70 5.45 4.64 -1.94 -0.57 113.55 125.32 2brr h SER 30 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 2brr h SER 30 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2brr h SER 30 CO 0.67 0.00 -0.11 0.28 -0.87 0.00 0.00 176.83 176.80 2brr h SER 31 N 0.00 0.00 0.00 4.97 0.02 -1.90 -2.83 113.55 113.81 2brr h SER 31 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2brr h SER 31 Cb 0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2brr h SER 31 CO 0.00 0.11 -0.24 -1.22 -1.14 0.00 0.00 176.83 174.34 2brr n TYR 32 N -3.36 0.00 -4.00 3.45 4.01 -0.23 -3.91 117.16 113.12 2brr n TYR 32 Ca -0.01 -0.89 -0.34 0.00 -0.16 0.00 0.00 57.90 56.50 2brr n TYR 32 Cb 0.31 -0.15 -0.15 0.00 -0.31 0.00 0.00 39.34 39.04 2brr n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2brr s LEU 33 N -2.28 2.55 0.26 7.72 1.98 -1.20 -1.71 118.68 126.00 2brr s LEU 33 Ca 0.28 -0.51 0.05 0.00 -2.89 0.00 0.00 54.13 51.06 2brr s LEU 33 Cb 0.25 -1.62 -0.06 0.00 0.66 0.00 0.00 46.19 45.42 2brr s LEU 33 CO -0.01 -0.01 -0.02 -1.00 -1.89 0.00 0.00 176.35 173.42 2brr s HIS 34 N 1.39 1.75 -0.00 5.38 3.76 0.66 -0.32 115.29 127.92 2brr s HIS 34 Ca 0.05 -0.84 0.04 0.00 -0.15 0.00 0.00 55.06 54.17 2brr s HIS 34 Cb -0.14 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.52 2brr s HIS 34 CO -0.08 0.09 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.20 2brr s TRP 35 N -3.25 1.13 0.07 1.40 0.52 0.18 -0.23 118.94 118.76 2brr s TRP 35 Ca 0.30 -0.23 0.09 0.00 0.02 0.00 0.00 56.10 56.28 2brr s TRP 35 Cb 0.05 -0.72 -0.03 0.00 -1.15 0.00 0.00 33.47 31.62 2brr s TRP 35 CO 0.11 -0.01 -0.24 0.71 0.02 0.00 0.00 176.95 177.53 2brr s TYR 36 N -0.36 2.07 -0.16 -1.98 1.51 0.82 -0.79 117.35 118.47 2brr s TYR 36 Ca 0.04 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 2brr s TYR 36 Cb -0.05 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 2brr s TYR 36 CO -0.00 0.17 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.43 2brr s GLN 37 N -1.50 3.64 -0.11 -0.62 0.74 -0.42 -0.32 119.66 121.07 2brr s GLN 37 Ca 0.10 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 54.99 2brr s GLN 37 Cb -0.10 -2.90 0.01 0.00 1.10 0.00 0.00 33.01 31.13 2brr s GLN 37 CO 0.03 0.22 -0.17 -1.14 -0.55 0.00 0.00 175.29 173.68 2brr s GLN 38 N 0.41 2.37 0.20 1.67 0.74 0.13 -0.87 119.66 124.31 2brr s GLN 38 Ca -0.04 -0.62 0.05 0.00 0.05 0.00 0.00 55.36 54.80 2brr s GLN 38 Cb -0.14 -1.97 -0.04 0.00 1.10 0.00 0.00 33.01 31.96 2brr s GLN 38 CO 0.03 -0.03 0.19 0.15 -0.55 0.00 0.00 175.29 175.08 2brr s LYS 39 N 0.90 3.01 -0.33 1.67 1.02 -1.26 -0.32 119.74 124.42 2brr s LYS 39 Ca -0.08 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 2brr s LYS 39 Cb -0.15 -2.67 -0.13 0.00 -0.52 0.00 0.00 37.83 34.36 2brr s LYS 39 CO -0.01 0.46 1.34 -1.13 -0.92 0.00 0.00 175.35 175.09 2brr n SER 40 N -0.73 0.55 -0.30 2.83 3.41 -1.26 -1.38 113.62 116.74 2brr n SER 40 Ca -0.08 0.51 -0.04 0.00 -0.26 0.00 0.00 58.87 59.00 2brr n SER 40 Cb 0.56 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 2brr n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2brr n GLY 41 N 4.50 0.68 3.29 5.00 0.00 -1.26 -5.03 105.19 112.37 2brr n GLY 41 Ca 0.33 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 2brr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brr s ALA 42 N -2.11 1.60 0.48 4.61 0.00 -0.48 -5.14 121.76 120.71 2brr s ALA 42 Ca 0.00 -1.65 -0.24 0.00 0.00 0.00 0.00 51.96 50.07 2brr s ALA 42 Cb 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 2brr s ALA 42 CO 0.00 -0.23 1.33 -1.12 0.00 0.00 0.00 175.76 175.74 2brr s SER 43 N -3.24 5.80 0.61 0.00 0.01 -1.26 -4.60 113.70 111.02 2brr s SER 43 Ca 0.24 2.71 -0.19 0.00 1.31 0.00 0.00 55.95 60.02 2brr s SER 43 Cb 0.05 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2brr s SER 43 CO 0.05 -1.21 1.26 -2.84 0.41 0.00 0.00 173.24 170.91 2brr s PRO 44 N -2.61 2.83 -0.08 12.44 0.02 -1.26 -4.62 135.00 141.72 2brr s PRO 44 Ca 0.64 1.96 0.05 0.00 0.02 0.00 0.00 61.00 63.67 2brr s PRO 44 Cb -0.39 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.20 2brr s PRO 44 CO 0.48 -1.35 -0.23 0.15 -0.33 0.00 0.00 177.00 175.71 2brr s LYS 45 N -3.30 2.73 0.22 5.54 1.02 -0.04 -4.96 119.74 120.93 2brr s LYS 45 Ca 0.79 -0.84 -0.32 0.00 0.02 0.00 0.00 55.97 55.62 2brr s LYS 45 Cb -0.34 -2.15 -0.13 0.00 -0.52 0.00 0.00 37.83 34.69 2brr s LYS 45 CO 0.37 0.24 1.62 -0.11 -0.92 0.00 0.00 175.35 176.54 2brr n LEU 46 N 3.34 3.72 0.04 3.17 7.94 -1.26 -1.30 117.00 132.64 2brr n LEU 46 Ca -0.19 1.10 -0.00 0.00 -1.11 0.00 0.00 56.01 55.80 2brr n LEU 46 Cb 0.53 -1.52 -0.00 0.00 0.53 0.00 0.00 43.42 42.95 2brr n LEU 46 CO 0.27 -0.03 -0.04 1.87 -1.11 0.00 0.00 177.39 178.35 2brr n TRP 47 N 3.18 0.00 -5.00 1.96 -0.00 0.03 -4.72 117.44 112.89 2brr n TRP 47 Ca 0.14 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.35 2brr n TRP 47 Cb 0.33 -0.03 -0.17 0.00 -0.00 0.00 0.00 31.31 31.45 2brr n TRP 47 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2brr s ILE 48 N -1.96 1.71 0.11 5.87 1.01 -0.82 -0.18 121.20 126.93 2brr s ILE 48 Ca -0.02 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.89 2brr s ILE 48 Cb 0.00 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 2brr s ILE 48 CO 0.02 0.48 -0.24 -0.72 0.00 0.00 0.00 174.94 174.49 2brr s TYR 49 N 0.29 2.03 -1.28 3.97 1.13 0.06 0.47 117.35 124.02 2brr s TYR 49 Ca -0.13 -0.40 -0.10 0.00 -1.41 0.00 0.00 57.07 55.03 2brr s TYR 49 Cb -0.16 -1.12 -0.00 0.00 -1.10 0.00 0.00 41.96 39.58 2brr s TYR 49 CO 0.06 0.25 0.59 0.43 -2.51 0.00 0.00 175.55 174.37 2brr n SER 50 N 1.10 -2.53 0.00 -0.18 7.64 -1.13 -2.14 113.62 116.39 2brr n SER 50 Ca -0.19 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.68 2brr n SER 50 Cb 0.53 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.58 2brr n SER 50 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2brr n THR 51 N -4.35 0.00 -1.18 0.44 -1.04 0.57 -4.15 114.28 104.57 2brr n THR 51 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2brr n THR 51 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 2brr n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2brr n SER 52 N 2.33 0.00 -4.71 8.00 3.41 -1.22 -3.79 113.62 117.64 2brr n SER 52 Ca 0.00 -1.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.23 2brr n SER 52 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2brr n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2brr s ASN 53 N 0.00 6.55 0.01 4.04 0.01 -0.91 -4.59 114.94 120.05 2brr s ASN 53 Ca 0.00 0.65 -0.28 0.00 -0.71 0.00 0.00 52.86 52.52 2brr s ASN 53 Cb 0.00 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 2brr s ASN 53 CO 0.00 0.01 0.89 -0.76 -1.51 0.00 0.00 177.10 175.73 2brr s LEU 54 N 0.77 4.39 0.99 0.60 1.43 -1.26 -0.76 118.68 124.84 2brr s LEU 54 Ca 0.22 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 2brr s LEU 54 Cb -0.14 -3.43 0.19 0.00 0.03 0.00 0.00 46.19 42.83 2brr s LEU 54 CO 0.08 -0.16 1.08 0.00 0.23 0.00 0.00 176.35 177.58 2brr s ALA 55 N 0.65 0.85 0.19 4.21 0.00 0.74 -4.91 121.76 123.50 2brr s ALA 55 Ca 0.46 0.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 2brr s ALA 55 Cb -0.21 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 2brr s ALA 55 CO 0.26 -2.94 1.49 -1.12 0.00 0.00 0.00 175.76 173.45 2brr s SER 56 N -3.00 6.64 0.00 0.00 0.01 -1.26 -2.40 113.70 113.69 2brr s SER 56 Ca 0.66 2.60 0.00 0.00 1.31 0.00 0.00 55.95 60.52 2brr s SER 56 Cb -0.21 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.41 2brr s SER 56 CO 0.60 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2brr n GLY 57 N 3.08 1.26 3.71 3.44 0.00 -1.26 -5.03 105.19 110.39 2brr n GLY 57 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2brr n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2brr s VAL 58 N -3.01 4.88 0.56 1.61 1.01 -1.01 -5.01 120.40 119.43 2brr s VAL 58 Ca 0.00 2.03 -0.20 0.00 0.00 0.00 0.00 61.98 63.81 2brr s VAL 58 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2brr s VAL 58 CO 0.00 0.16 1.21 -2.84 0.00 0.00 0.00 175.10 173.63 2brr s PRO 59 N 1.02 3.15 0.03 2.72 0.02 -1.26 -4.91 135.00 135.77 2brr s PRO 59 Ca 0.51 1.85 0.07 0.00 0.02 0.00 0.00 61.00 63.45 2brr s PRO 59 Cb -0.21 -2.05 0.31 0.00 0.02 0.00 0.00 34.50 32.58 2brr s PRO 59 CO 0.27 -1.07 1.22 0.00 -0.33 0.00 0.00 177.00 177.09 2brr n ALA 60 N -1.33 1.23 0.61 -1.55 0.00 -1.26 -2.37 120.51 115.85 2brr n ALA 60 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 2brr n ALA 60 Cb 0.49 -1.11 0.44 0.00 0.00 0.00 0.00 19.45 19.27 2brr n ALA 60 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2brr n ARG 61 N -1.58 0.08 -3.52 0.00 1.85 -1.26 -4.73 116.66 107.50 2brr n ARG 61 Ca 0.01 0.23 -0.34 0.00 -1.00 0.00 0.00 57.85 56.75 2brr n ARG 61 Cb 0.06 -1.63 -0.05 0.00 -1.05 0.00 0.00 32.46 29.79 2brr n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2brr s PHE 62 N -3.09 3.54 0.19 2.89 0.40 -1.00 0.59 117.98 121.50 2brr s PHE 62 Ca 0.09 0.82 -0.14 0.00 -0.60 0.00 0.00 56.93 57.09 2brr s PHE 62 Cb 0.12 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.47 2brr s PHE 62 CO 0.41 0.44 0.45 -1.54 0.70 0.00 0.00 175.22 175.67 2brr s SER 63 N -1.99 -0.15 0.01 1.36 1.04 -0.12 -4.97 113.70 108.89 2brr s SER 63 Ca 0.38 -0.66 -0.08 0.00 0.48 0.00 0.00 55.95 56.08 2brr s SER 63 Cb -0.13 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2brr s SER 63 CO 0.20 -1.02 0.15 -0.83 0.98 0.00 0.00 173.24 172.72 2brr s GLY 64 N -2.92 0.04 0.33 7.32 0.00 -1.26 -0.07 107.32 110.77 2brr s GLY 64 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.72 2brr s GLY 64 CO -0.00 -0.30 0.37 -1.35 0.00 0.00 0.00 173.10 171.82 2brr s SER 65 N -1.53 1.25 0.00 1.64 1.04 -0.90 -4.23 113.70 110.98 2brr s SER 65 Ca -0.13 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 54.69 2brr s SER 65 Cb -0.06 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2brr s SER 65 CO 0.01 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.66 2brr n GLY 66 N -0.58 2.34 3.55 7.32 0.00 -1.26 -1.32 105.19 115.23 2brr n GLY 66 Ca 0.04 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.00 2brr n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2brr s SER 67 N 0.00 -0.27 1.74 1.61 1.04 -0.69 -4.91 113.70 112.22 2brr s SER 67 Ca 0.00 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2brr s SER 67 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2brr s SER 67 CO 0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2brr n GLY 68 N -0.22 2.97 0.82 7.32 0.00 -1.26 -1.90 105.19 112.92 2brr n GLY 68 Ca -0.06 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2brr n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2brr n THR 69 N 0.00 0.67 -3.86 2.61 -2.24 -1.26 -1.04 114.28 109.15 2brr n THR 69 Ca 0.00 -0.83 -0.27 0.00 -2.27 0.00 0.00 64.05 60.68 2brr n THR 69 Cb 0.00 0.77 -0.17 0.00 -2.10 0.00 0.00 70.33 68.84 2brr n THR 69 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2brr s SER 70 N -1.11 2.41 0.12 3.42 0.01 -0.80 -0.63 113.70 117.12 2brr s SER 70 Ca 0.28 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 57.13 2brr s SER 70 Cb 0.16 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 2brr s SER 70 CO 0.22 -0.17 -0.12 -0.31 0.41 0.00 0.00 173.24 173.26 2brr s TYR 71 N 1.74 1.26 0.05 2.43 1.51 0.05 -1.70 117.35 122.69 2brr s TYR 71 Ca 0.03 -0.65 -0.09 0.00 -1.01 0.00 0.00 57.07 55.35 2brr s TYR 71 Cb -0.14 -0.66 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 2brr s TYR 71 CO -0.07 0.09 0.18 -1.54 -1.11 0.00 0.00 175.55 173.10 2brr s SER 72 N -2.68 0.07 -0.10 2.29 1.04 -0.44 -0.26 113.70 113.63 2brr s SER 72 Ca 0.10 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2brr s SER 72 Cb -0.02 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 2brr s SER 72 CO 0.01 -0.59 -0.24 -0.22 0.98 0.00 0.00 173.24 173.19 2brr s LEU 73 N -2.26 2.09 -0.01 2.42 0.20 -0.51 -2.11 118.68 118.51 2brr s LEU 73 Ca -0.03 -0.55 0.07 0.00 0.69 0.00 0.00 54.13 54.30 2brr s LEU 73 Cb 0.00 -1.41 -0.03 0.00 -0.43 0.00 0.00 46.19 44.33 2brr s LEU 73 CO -0.05 0.17 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.08 2brr s THR 74 N 0.28 2.56 -0.30 3.68 2.01 0.90 -1.65 115.64 123.13 2brr s THR 74 Ca -0.17 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 60.74 2brr s THR 74 Cb -0.18 -1.99 0.03 0.00 0.01 0.00 0.00 72.50 70.37 2brr s THR 74 CO 0.08 0.50 0.04 -0.63 -0.69 0.00 0.00 174.62 173.93 2brr s ILE 75 N -0.75 3.52 0.30 1.82 1.01 -0.03 -0.94 121.20 126.13 2brr s ILE 75 Ca 0.12 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 2brr s ILE 75 Cb -0.10 -2.90 0.20 0.00 0.01 0.00 0.00 42.46 39.67 2brr s ILE 75 CO 0.01 -0.00 1.90 0.77 0.00 0.00 0.00 174.94 177.62 2brr h SER 76 N 8.14 0.77 -1.70 3.58 4.64 -0.14 -1.63 113.55 127.22 2brr h SER 76 Ca -0.27 -0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 60.75 2brr h SER 76 Cb 1.10 -0.20 -0.28 0.00 -0.31 0.00 0.00 62.40 62.71 2brr h SER 76 CO 0.58 0.68 -0.56 -0.55 -0.87 0.00 0.00 176.83 176.12 2brr s SER 77 N -6.52 0.39 0.37 4.97 0.15 -1.25 -3.86 113.70 107.94 2brr s SER 77 Ca -0.10 -0.61 -0.28 0.00 0.70 0.00 0.00 55.95 55.66 2brr s SER 77 Cb 0.16 1.07 -0.11 0.00 -1.71 0.00 0.00 66.02 65.43 2brr s SER 77 CO 0.79 -0.33 1.46 0.52 1.20 0.00 0.00 173.24 176.88 2brr n VAL 78 N 5.11 1.96 -4.41 4.45 0.31 0.12 -4.51 118.33 121.36 2brr n VAL 78 Ca 0.03 -0.49 -0.22 0.00 -0.01 0.00 0.00 64.34 63.65 2brr n VAL 78 Cb 0.49 -1.91 -0.10 0.00 -0.91 0.00 0.00 33.84 31.41 2brr n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2brr s GLU 79 N -2.01 1.51 0.39 5.55 2.02 -1.26 0.15 118.70 125.04 2brr s GLU 79 Ca 0.54 -1.67 0.13 0.00 0.02 0.00 0.00 54.97 54.00 2brr s GLU 79 Cb -0.49 -1.49 0.96 0.00 0.10 0.00 0.00 34.13 33.21 2brr s GLU 79 CO 0.63 0.27 1.86 0.00 0.02 0.00 0.00 175.26 178.05 2brr h ALA 80 N 2.48 2.02 0.00 5.21 0.00 -1.91 -1.51 119.26 125.57 2brr h ALA 80 Ca -0.40 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2brr h ALA 80 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2brr h ALA 80 CO 0.60 -0.29 0.00 -0.85 0.00 0.00 0.00 179.25 178.71 2brr n GLU 81 N -4.54 0.04 0.02 0.00 0.28 -1.14 -2.76 120.64 112.54 2brr n GLU 81 Ca 0.18 0.17 0.14 0.00 -0.16 0.00 0.00 57.16 57.49 2brr n GLU 81 Cb 0.59 -1.50 0.55 0.00 1.43 0.00 0.00 31.44 32.51 2brr n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2brr n ASP 82 N -1.46 0.19 -4.53 -1.84 8.00 -0.57 -4.82 116.55 111.53 2brr n ASP 82 Ca 0.05 0.47 -0.49 0.00 0.71 0.00 0.00 54.79 55.53 2brr n ASP 82 Cb 0.20 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.74 2brr n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2brr n ALA 83 N -1.56 1.14 -3.80 2.24 0.00 -1.11 -4.83 120.51 112.59 2brr n ALA 83 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2brr n ALA 83 Cb 0.36 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2brr n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2brr s ALA 84 N 6.84 -1.92 -0.15 0.00 0.00 -1.18 -4.87 121.76 120.48 2brr s ALA 84 Ca 1.05 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 2brr s ALA 84 Cb -0.73 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2brr s ALA 84 CO 0.47 -1.07 0.06 0.99 0.00 0.00 0.00 175.76 176.21 2brr s THR 85 N -2.50 4.81 -0.20 0.00 2.01 0.56 -0.96 115.64 119.36 2brr s THR 85 Ca 0.19 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 2brr s THR 85 Cb 0.00 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2brr s THR 85 CO 0.01 0.52 0.02 -0.31 -0.69 0.00 0.00 174.62 174.17 2brr s TYR 86 N -0.14 3.07 -0.10 4.92 1.51 -0.00 0.18 117.35 126.78 2brr s TYR 86 Ca 0.07 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2brr s TYR 86 Cb -0.12 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 2brr s TYR 86 CO 0.01 -0.21 -0.15 0.71 -1.11 0.00 0.00 175.55 174.81 2brr s TYR 87 N 1.00 2.75 0.43 2.71 2.02 0.56 -1.37 117.35 125.45 2brr s TYR 87 Ca 0.02 -0.53 -0.07 0.00 -0.37 0.00 0.00 57.07 56.13 2brr s TYR 87 Cb -0.14 -1.76 -0.05 0.00 -0.40 0.00 0.00 41.96 39.61 2brr s TYR 87 CO 0.02 -0.11 0.75 0.00 -1.57 0.00 0.00 175.55 174.65 2brr s GLN 89 N -4.29 0.36 0.18 0.00 -0.44 0.68 -1.14 119.66 115.01 2brr s GLN 89 Ca 0.48 0.43 0.07 0.00 -2.50 0.00 0.00 55.36 53.85 2brr s GLN 89 Cb -0.10 0.17 -0.04 0.00 -1.64 0.00 0.00 33.01 31.39 2brr s GLN 89 CO 0.38 -0.04 -0.15 1.14 0.50 0.00 0.00 175.29 177.12 2brr s GLN 90 N 0.18 1.24 -0.02 1.67 1.03 -0.62 -0.25 119.66 122.90 2brr s GLN 90 Ca -0.00 -1.49 0.04 0.00 0.04 0.00 0.00 55.36 53.95 2brr s GLN 90 Cb -0.02 -1.07 -0.01 0.00 0.03 0.00 0.00 33.01 31.94 2brr s GLN 90 CO 0.00 0.19 -0.15 -0.47 -2.54 0.00 0.00 175.29 172.31 2brr s TYR 91 N -2.73 1.45 -0.37 9.60 5.04 -0.69 -2.64 117.35 127.00 2brr s TYR 91 Ca 0.19 -0.33 0.12 0.00 -2.44 0.00 0.00 57.07 54.60 2brr s TYR 91 Cb -0.02 -0.96 0.41 0.00 0.35 0.00 0.00 41.96 41.74 2brr s TYR 91 CO 0.05 -0.08 1.28 -1.13 -1.34 0.00 0.00 175.55 174.34 2brr n SER 92 N 2.90 -1.02 0.00 4.32 3.41 -1.26 -4.55 113.62 117.42 2brr n SER 92 Ca -0.16 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 2brr n SER 92 Cb 0.54 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 2brr n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2brr n GLY 93 N -0.57 -0.25 3.85 5.00 0.00 -1.26 -5.02 105.19 106.95 2brr n GLY 93 Ca -0.01 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 2brr n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2brr s TYR 94 N -2.46 3.43 0.46 1.61 2.02 -1.26 -4.48 117.35 116.67 2brr s TYR 94 Ca 0.00 1.26 -0.13 0.00 -0.37 0.00 0.00 57.07 57.83 2brr s TYR 94 Cb 0.00 -2.61 -0.07 0.00 -0.40 0.00 0.00 41.96 38.88 2brr s TYR 94 CO 0.00 -0.16 0.87 -1.25 -1.57 0.00 0.00 175.55 173.44 2brr s PRO 95 N -3.71 3.85 0.26 -1.71 0.04 -1.26 -4.94 135.00 127.53 2brr s PRO 95 Ca 0.55 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 2brr s PRO 95 Cb -0.10 -2.28 -0.14 0.00 0.04 0.00 0.00 34.50 32.03 2brr s PRO 95 CO 0.27 -0.15 1.24 0.66 0.04 0.00 0.00 177.00 179.06 2brr n TYR 96 N -1.45 1.81 -4.31 0.56 4.02 -1.26 -4.70 117.16 111.83 2brr n TYR 96 Ca 0.04 0.57 -0.20 0.00 -0.01 0.00 0.00 57.90 58.31 2brr n TYR 96 Cb 0.54 -2.36 -0.11 0.00 -0.02 0.00 0.00 39.34 37.39 2brr n TYR 96 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2brr s THR 97 N -0.56 1.65 0.06 -0.72 -4.23 -1.08 -4.99 115.64 105.76 2brr s THR 97 Ca 0.64 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 2brr s THR 97 Cb -0.68 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 2brr s THR 97 CO 0.55 -0.43 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.66 2brr s PHE 98 N -2.35 2.52 1.02 3.99 0.08 -1.26 -1.58 117.98 120.40 2brr s PHE 98 Ca 0.16 -0.28 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 2brr s PHE 98 Cb -0.04 -1.43 0.20 0.00 -0.57 0.00 0.00 43.02 41.18 2brr s PHE 98 CO 0.06 0.26 1.09 0.20 -0.10 0.00 0.00 175.22 176.72 2brr s GLY 99 N -1.55 1.56 0.00 4.36 0.00 -0.29 -4.50 107.32 106.90 2brr s GLY 99 Ca 0.15 -0.33 0.24 0.00 0.00 0.00 0.00 44.72 44.78 2brr s GLY 99 CO 0.06 0.30 1.76 0.61 0.00 0.00 0.00 173.10 175.82 2brr n GLY 100 N -0.86 -1.32 0.00 0.20 0.00 -1.26 -4.68 105.19 97.28 2brr n GLY 100 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2brr n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brr n GLY 101 N 0.94 2.08 3.20 -0.02 0.00 -1.26 -5.01 105.19 105.12 2brr n GLY 101 Ca 0.06 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 2brr n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2brr s THR 102 N -1.66 2.70 -0.22 2.61 2.01 -0.47 -4.59 115.64 116.02 2brr s THR 102 Ca 0.00 -0.80 -0.24 0.00 0.31 0.00 0.00 61.69 60.96 2brr s THR 102 Cb 0.00 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 2brr s THR 102 CO 0.00 0.42 0.78 -0.54 -0.69 0.00 0.00 174.62 174.60 2brr s LYS 103 N 1.36 4.20 -0.34 4.92 1.02 0.21 -0.82 119.74 130.29 2brr s LYS 103 Ca 0.04 0.88 -0.16 0.00 0.02 0.00 0.00 55.97 56.75 2brr s LYS 103 Cb -0.14 -3.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 2brr s LYS 103 CO -0.08 -0.43 0.38 -1.17 -0.92 0.00 0.00 175.35 173.13 2brr s LEU 104 N 2.55 4.41 -0.14 3.17 2.96 -0.13 -0.29 118.68 131.20 2brr s LEU 104 Ca 0.34 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2brr s LEU 104 Cb -0.16 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2brr s LEU 104 CO 0.09 -0.35 0.12 -0.70 -1.32 0.00 0.00 176.35 174.19 2brr s GLU 105 N 2.07 3.66 -0.16 1.98 2.12 0.11 -3.11 118.70 125.37 2brr s GLU 105 Ca 0.13 -0.19 -0.16 0.00 0.36 0.00 0.00 54.97 55.11 2brr s GLU 105 Cb -0.16 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2brr s GLU 105 CO 0.12 0.61 0.41 0.42 -0.54 0.00 0.00 175.26 176.27 2brr s ILE 106 N -0.53 5.22 0.24 -3.70 -1.09 -1.26 -0.72 121.20 119.35 2brr s ILE 106 Ca 0.12 0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 59.16 2brr s ILE 106 Cb -0.12 -3.74 -0.08 0.00 -1.58 0.00 0.00 42.46 36.94 2brr s ILE 106 CO 0.02 0.31 0.66 -0.54 -1.23 0.00 0.00 174.94 174.17 2brr s LYS 107 N 0.83 4.06 0.31 2.79 1.02 0.70 -4.87 119.74 124.58 2brr s LYS 107 Ca 0.21 0.65 -0.01 0.00 0.02 0.00 0.00 55.97 56.84 2brr s LYS 107 Cb -0.14 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2brr s LYS 107 CO 0.08 0.33 0.43 2.89 -0.92 0.00 0.00 175.35 178.16 2brr n ARG 108 N 0.31 0.62 -1.88 1.68 1.85 -1.26 -3.89 116.66 114.09 2brr n ARG 108 Ca -0.01 -2.53 -0.38 0.00 -1.00 0.00 0.00 57.85 53.93 2brr n ARG 108 Cb 0.52 2.42 0.03 0.00 -1.05 0.00 0.00 32.46 34.38 2brr n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2brr s ALA 109 N -2.68 2.80 0.41 2.89 0.00 -1.26 -4.94 121.76 118.99 2brr s ALA 109 Ca 0.26 1.24 -0.24 0.00 0.00 0.00 0.00 51.96 53.21 2brr s ALA 109 Cb -0.01 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 2brr s ALA 109 CO 0.19 -1.25 1.01 -0.25 0.00 0.00 0.00 175.76 175.46 2brr n ASP 110 N -1.02 1.26 -3.75 0.00 8.00 -1.26 -4.78 116.55 115.00 2brr n ASP 110 Ca 0.10 1.04 -0.15 0.00 0.71 0.00 0.00 54.79 56.49 2brr n ASP 110 Cb 0.46 -1.35 -0.16 0.00 -0.02 0.00 0.00 41.12 40.05 2brr n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2brr s ALA 111 N -1.26 -0.00 0.25 2.24 0.00 -0.28 -4.92 121.76 117.78 2brr s ALA 111 Ca 0.63 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 2brr s ALA 111 Cb -0.56 -0.36 -0.09 0.00 0.00 0.00 0.00 23.12 22.10 2brr s ALA 111 CO 0.57 -0.18 1.00 0.00 0.00 0.00 0.00 175.76 177.15 2brr s ALA 112 N 1.27 3.36 0.49 0.00 0.00 -1.26 -1.75 121.76 123.86 2brr s ALA 112 Ca -0.07 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 52.38 2brr s ALA 112 Cb -0.13 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 2brr s ALA 112 CO -0.04 0.07 1.22 -1.25 0.00 0.00 0.00 175.76 175.77 2brr s PRO 113 N -1.20 3.54 -0.45 0.00 0.04 -1.26 -4.63 135.00 131.04 2brr s PRO 113 Ca 0.43 1.91 -0.28 0.00 0.04 0.00 0.00 61.00 63.10 2brr s PRO 113 Cb -0.28 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 31.95 2brr s PRO 113 CO 0.35 -0.77 1.07 0.99 0.04 0.00 0.00 177.00 178.68 2brr s THR 114 N -1.48 4.32 -0.18 1.26 2.01 0.09 -4.81 115.64 116.86 2brr s THR 114 Ca 0.66 1.18 -0.10 0.00 0.31 0.00 0.00 61.69 63.75 2brr s THR 114 Cb -0.32 -4.53 -0.05 0.00 0.01 0.00 0.00 72.50 67.61 2brr s THR 114 CO 0.38 -0.88 0.15 -0.69 -0.69 0.00 0.00 174.62 172.89 2brr s VAL 115 N 4.15 5.42 -0.04 3.82 1.01 -1.26 -0.93 120.40 132.57 2brr s VAL 115 Ca 0.45 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.67 2brr s VAL 115 Cb -0.09 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.84 2brr s VAL 115 CO 0.28 0.48 -0.08 -0.44 0.00 0.00 0.00 175.10 175.34 2brr s SER 116 N 0.06 1.19 -0.01 3.32 0.01 -0.31 -4.96 113.70 113.00 2brr s SER 116 Ca 0.10 -0.18 0.05 0.00 1.31 0.00 0.00 55.95 57.23 2brr s SER 116 Cb -0.11 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 2brr s SER 116 CO -0.00 0.00 -0.14 -0.51 0.41 0.00 0.00 173.24 173.00 2brr s ILE 117 N 0.62 3.06 -0.05 1.44 2.07 -1.26 -0.83 121.20 126.25 2brr s ILE 117 Ca -0.10 -0.91 0.01 0.00 -1.41 0.00 0.00 60.65 58.25 2brr s ILE 117 Cb -0.13 -2.25 0.02 0.00 0.13 0.00 0.00 42.46 40.23 2brr s ILE 117 CO 0.01 0.46 -0.07 -0.36 -1.91 0.00 0.00 174.94 173.07 2brr s PHE 118 N -0.85 1.00 0.80 3.50 0.08 0.54 -5.00 117.98 118.05 2brr s PHE 118 Ca 0.14 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 2brr s PHE 118 Cb -0.11 -0.81 0.07 0.00 -0.57 0.00 0.00 43.02 41.61 2brr s PHE 118 CO 0.04 -0.22 1.09 -1.25 -0.10 0.00 0.00 175.22 174.77 2brr s PRO 119 N 0.82 2.06 0.58 0.24 0.04 -1.26 -2.25 135.00 135.23 2brr s PRO 119 Ca -0.12 0.77 -0.20 0.00 0.04 0.00 0.00 61.00 61.48 2brr s PRO 119 Cb -0.15 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2brr s PRO 119 CO 0.01 -1.67 1.17 -2.30 0.04 0.00 0.00 177.00 174.26 2brr n PRO 120 N -3.48 1.25 -2.57 0.56 -0.02 -1.20 -4.83 135.00 124.71 2brr n PRO 120 Ca 0.07 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.68 2brr n PRO 120 Cb 0.55 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 2brr n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2brr s SER 121 N -1.11 6.43 0.51 2.55 1.04 -1.26 -4.94 113.70 116.92 2brr s SER 121 Ca 0.75 1.92 0.16 0.00 0.48 0.00 0.00 55.95 59.25 2brr s SER 121 Cb -0.42 -2.56 1.24 0.00 0.10 0.00 0.00 66.02 64.38 2brr s SER 121 CO 0.47 -0.72 2.12 0.77 0.98 0.00 0.00 173.24 176.87 2brr h SER 122 N 1.68 0.05 -0.11 7.02 4.64 -1.98 -1.24 113.55 123.61 2brr h SER 122 Ca -0.49 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2brr h SER 122 Cb 1.22 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2brr h SER 122 CO 0.59 0.04 0.05 -0.33 -0.87 0.00 0.00 176.83 176.31 2brr h GLU 123 N 0.06 0.11 -0.41 4.77 3.07 -1.99 -1.46 114.58 118.73 2brr h GLU 123 Ca 0.04 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 2brr h GLU 123 Cb 0.11 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2brr h GLU 123 CO -0.00 0.08 0.07 0.37 -1.40 0.00 0.00 179.01 178.12 2brr h GLN 124 N 0.12 0.68 -0.68 2.33 4.15 -1.70 -3.16 115.11 116.85 2brr h GLN 124 Ca 0.04 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 2brr h GLN 124 Cb 0.01 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2brr h GLN 124 CO -0.03 0.72 0.35 -0.07 -1.93 0.00 0.00 178.83 177.87 2brr h LEU 125 N 0.54 0.85 -1.84 -2.39 3.38 -1.11 -1.66 115.31 113.08 2brr h LEU 125 Ca 0.13 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2brr h LEU 125 Cb 0.37 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2brr h LEU 125 CO 0.01 0.70 -0.13 0.74 0.09 0.00 0.00 178.44 179.84 2brr h THR 126 N 0.95 0.60 -0.40 0.22 2.02 -1.25 -0.22 112.91 114.83 2brr h THR 126 Ca 0.24 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2brr h THR 126 Cb 0.06 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2brr h THR 126 CO -0.04 0.13 0.00 -1.20 0.37 0.00 0.00 175.52 174.79 2brr n SER 127 N -3.67 2.54 0.00 4.18 7.64 -0.67 -4.97 113.62 118.68 2brr n SER 127 Ca -0.02 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.93 2brr n SER 127 Cb 0.25 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2brr n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2brr n GLY 128 N 1.29 0.78 3.53 0.23 0.00 -0.09 -5.05 105.19 105.87 2brr n GLY 128 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2brr n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2brr s GLY 129 N -1.77 1.74 -0.30 -0.02 0.00 -0.91 -1.23 107.32 104.84 2brr s GLY 129 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 2brr s GLY 129 CO 0.00 -1.68 0.20 0.00 0.00 0.00 0.00 173.10 171.62 2brr s ALA 130 N -2.00 0.23 -0.30 3.20 0.00 0.62 -3.07 121.76 120.44 2brr s ALA 130 Ca 0.26 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 2brr s ALA 130 Cb -0.07 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 2brr s ALA 130 CO 0.15 -1.72 0.37 -1.12 0.00 0.00 0.00 175.76 173.44 2brr s SER 131 N 2.09 6.22 -0.24 0.00 0.01 -1.26 -0.34 113.70 120.19 2brr s SER 131 Ca 0.10 0.07 -0.10 0.00 1.31 0.00 0.00 55.95 57.33 2brr s SER 131 Cb -0.16 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 2brr s SER 131 CO -0.32 -0.26 0.14 -0.69 0.41 0.00 0.00 173.24 172.53 2brr s VAL 132 N 2.07 5.23 -0.07 3.43 1.01 0.22 -3.25 120.40 129.05 2brr s VAL 132 Ca 0.14 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2brr s VAL 132 Cb -0.16 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2brr s VAL 132 CO 0.11 0.35 -0.13 -0.69 0.00 0.00 0.00 175.10 174.74 2brr s VAL 133 N 1.04 3.16 -0.12 2.92 1.01 -0.96 0.15 120.40 127.60 2brr s VAL 133 Ca 0.07 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2brr s VAL 133 Cb -0.14 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.00 2brr s VAL 133 CO 0.04 0.58 -0.12 0.00 0.00 0.00 0.00 175.10 175.60 2brr s PHE 135 N 1.36 3.63 -0.39 0.00 0.08 -0.01 -0.54 117.98 122.10 2brr s PHE 135 Ca 0.01 0.62 0.02 0.00 0.12 0.00 0.00 56.93 57.70 2brr s PHE 135 Cb -0.13 -2.01 0.12 0.00 -0.57 0.00 0.00 43.02 40.42 2brr s PHE 135 CO -0.07 0.72 0.16 -0.51 -0.10 0.00 0.00 175.22 175.42 2brr s LEU 136 N -1.04 3.32 -0.13 -0.37 1.02 0.09 -1.16 118.68 120.41 2brr s LEU 136 Ca 0.17 -2.30 -0.05 0.00 0.02 0.00 0.00 54.13 51.96 2brr s LEU 136 Cb -0.13 -1.23 -0.04 0.00 0.02 0.00 0.00 46.19 44.82 2brr s LEU 136 CO 0.06 -0.33 0.06 0.20 0.02 0.00 0.00 176.35 176.36 2brr s ASN 137 N 0.73 5.69 -0.92 2.29 0.01 -0.10 -0.60 114.94 122.04 2brr s ASN 137 Ca 0.14 0.21 -0.05 0.00 -0.71 0.00 0.00 52.86 52.44 2brr s ASN 137 Cb -0.21 -1.81 -0.06 0.00 0.41 0.00 0.00 41.25 39.57 2brr s ASN 137 CO -0.09 0.31 0.80 0.59 -1.51 0.00 0.00 177.10 177.21 2brr n ASN 138 N 2.60 -6.06 -4.57 -1.22 3.02 -0.86 -0.73 115.26 107.45 2brr n ASN 138 Ca -0.18 -0.62 -0.26 0.00 -0.03 0.00 0.00 54.58 53.48 2brr n ASN 138 Cb 0.53 -4.61 -0.11 0.00 -0.61 0.00 0.00 39.78 34.98 2brr n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2brr s PHE 139 N -3.34 2.41 -0.27 3.10 -0.12 0.73 -4.50 117.98 115.98 2brr s PHE 139 Ca 0.40 -0.62 -0.24 0.00 -0.05 0.00 0.00 56.93 56.43 2brr s PHE 139 Cb -0.05 -1.55 0.09 0.00 -0.63 0.00 0.00 43.02 40.88 2brr s PHE 139 CO 0.64 0.47 0.80 -0.47 -0.05 0.00 0.00 175.22 176.61 2brr s TYR 140 N -2.72 -0.74 1.08 3.49 6.14 -0.72 -0.29 117.35 123.59 2brr s TYR 140 Ca 0.34 1.75 -0.17 0.00 0.64 0.00 0.00 57.07 59.63 2brr s TYR 140 Cb 0.06 0.33 0.23 0.00 0.42 0.00 0.00 41.96 43.01 2brr s TYR 140 CO 0.17 -0.36 1.17 -1.25 0.64 0.00 0.00 175.55 175.92 2brr s PRO 141 N 0.51 -0.23 0.27 4.97 0.04 -1.26 -1.13 135.00 138.18 2brr s PRO 141 Ca -0.01 -0.06 0.07 0.00 0.04 0.00 0.00 61.00 61.05 2brr s PRO 141 Cb -0.05 -1.71 0.38 0.00 0.04 0.00 0.00 34.50 33.16 2brr s PRO 141 CO -0.03 -3.05 1.64 -0.22 0.04 0.00 0.00 177.00 175.37 2brr h LYS 142 N -2.11 0.16 -5.36 4.56 3.64 -1.97 -3.40 116.57 112.10 2brr h LYS 142 Ca -0.46 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 58.77 2brr h LYS 142 Cb 1.29 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2brr h LYS 142 CO 0.42 0.65 0.14 -0.51 -2.27 0.00 0.00 179.45 177.88 2brr s ASP 143 N -6.88 3.99 0.01 4.20 1.01 -1.26 -4.93 116.67 112.81 2brr s ASP 143 Ca -0.03 -0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.02 2brr s ASP 143 Cb 0.13 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 2brr s ASP 143 CO 0.78 -3.87 -0.15 -0.51 0.21 0.00 0.00 175.17 171.62 2brr s ILE 144 N 14.51 1.20 -0.14 0.77 2.07 -1.26 -4.17 121.20 134.17 2brr s ILE 144 Ca 0.87 -0.79 -0.03 0.00 -1.41 0.00 0.00 60.65 59.29 2brr s ILE 144 Cb -0.11 -1.03 -0.03 0.00 0.13 0.00 0.00 42.46 41.43 2brr s ILE 144 CO 0.09 0.23 -0.05 0.20 -1.91 0.00 0.00 174.94 173.49 2brr s ASN 145 N -0.65 4.68 -0.19 4.50 0.01 0.51 -4.97 114.94 118.83 2brr s ASN 145 Ca 0.05 -0.14 -0.09 0.00 -0.71 0.00 0.00 52.86 51.97 2brr s ASN 145 Cb -0.07 -1.70 -0.05 0.00 0.41 0.00 0.00 41.25 39.85 2brr s ASN 145 CO 0.00 0.19 0.10 -0.69 -1.51 0.00 0.00 177.10 175.19 2brr s VAL 146 N 0.22 5.15 -0.11 1.60 1.01 -1.26 -0.88 120.40 126.14 2brr s VAL 146 Ca -0.03 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2brr s VAL 146 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2brr s VAL 146 CO 0.03 0.45 -0.17 -0.75 0.00 0.00 0.00 175.10 174.66 2brr s LYS 147 N 0.36 3.13 -0.14 2.72 2.20 0.12 -4.96 119.74 123.16 2brr s LYS 147 Ca 0.06 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.84 2brr s LYS 147 Cb -0.12 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 2brr s LYS 147 CO -0.01 0.26 0.10 -1.58 -0.36 0.00 0.00 175.35 173.76 2brr s TRP 148 N 0.19 3.41 -0.03 4.03 0.52 -1.26 -0.09 118.94 125.72 2brr s TRP 148 Ca -0.10 0.33 0.04 0.00 0.02 0.00 0.00 56.10 56.39 2brr s TRP 148 Cb -0.16 -1.99 -0.00 0.00 -1.15 0.00 0.00 33.47 30.17 2brr s TRP 148 CO 0.06 0.48 -0.15 0.15 0.02 0.00 0.00 176.95 177.51 2brr s LYS 149 N -0.42 1.48 -0.14 4.98 1.02 -0.01 -1.07 119.74 125.59 2brr s LYS 149 Ca 0.11 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.59 2brr s LYS 149 Cb -0.12 -1.33 0.01 0.00 -0.52 0.00 0.00 37.83 35.87 2brr s LYS 149 CO 0.02 0.23 -0.20 0.42 -0.92 0.00 0.00 175.35 174.90 2brr s ILE 150 N -0.01 1.89 -1.28 2.17 1.01 0.28 -0.70 121.20 124.56 2brr s ILE 150 Ca -0.02 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 2brr s ILE 150 Cb -0.10 -1.69 0.04 0.00 0.01 0.00 0.00 42.46 40.73 2brr s ILE 150 CO 0.01 0.52 0.38 0.47 0.00 0.00 0.00 174.94 176.31 2brr n ASP 151 N 4.19 -4.23 0.00 3.58 8.00 0.18 -0.79 116.55 127.47 2brr n ASP 151 Ca -0.20 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2brr n ASP 151 Cb 0.51 -3.50 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 2brr n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2brr n GLY 152 N -1.14 0.84 3.37 0.44 0.00 -1.26 -5.01 105.19 102.43 2brr n GLY 152 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2brr n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2brr s SER 153 N -2.87 3.96 0.40 1.61 0.01 0.03 -5.01 113.70 111.82 2brr s SER 153 Ca 0.00 -0.33 -0.27 0.00 1.31 0.00 0.00 55.95 56.66 2brr s SER 153 Cb 0.00 -1.51 -0.10 0.00 0.21 0.00 0.00 66.02 64.61 2brr s SER 153 CO 0.00 0.19 1.47 -1.61 0.41 0.00 0.00 173.24 173.69 2brr s GLU 154 N 0.23 4.00 -0.07 12.44 8.01 -1.26 -0.56 118.70 141.48 2brr s GLU 154 Ca -0.09 2.52 -0.01 0.00 0.01 0.00 0.00 54.97 57.40 2brr s GLU 154 Cb -0.15 -2.88 0.03 0.00 -4.31 0.00 0.00 34.13 26.81 2brr s GLU 154 CO 0.05 -0.60 0.01 0.50 0.01 0.00 0.00 175.26 175.23 2brr s ARG 155 N -2.19 0.55 -0.21 1.61 6.06 -0.24 -4.86 118.95 119.68 2brr s ARG 155 Ca 0.55 0.12 0.06 0.00 -2.50 0.00 0.00 55.73 53.96 2brr s ARG 155 Cb -0.46 -0.95 -0.21 0.00 0.06 0.00 0.00 34.95 33.40 2brr s ARG 155 CO 0.61 -0.31 -0.01 1.04 -2.50 0.00 0.00 175.30 174.13 2brr n GLN 156 N 5.16 0.67 -2.70 5.12 6.02 -1.26 -4.30 117.38 126.10 2brr n GLN 156 Ca -0.07 0.13 -0.37 0.00 -0.01 0.00 0.00 57.00 56.68 2brr n GLN 156 Cb 0.50 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 30.14 2brr n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2brr s ASN 157 N -6.29 7.20 0.00 1.08 0.01 -1.26 -4.00 114.94 111.67 2brr s ASN 157 Ca -0.25 1.92 0.00 0.00 -0.71 0.00 0.00 52.86 53.83 2brr s ASN 157 Cb 0.08 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2brr s ASN 157 CO 0.70 -0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.73 2brr n GLY 158 N 0.57 0.79 3.58 0.66 0.00 -1.26 -4.87 105.19 104.66 2brr n GLY 158 Ca 0.02 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2brr n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2brr s VAL 159 N -2.00 4.78 -0.09 1.61 1.01 -1.26 -0.75 120.40 123.70 2brr s VAL 159 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2brr s VAL 159 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2brr s VAL 159 CO 0.00 0.38 -0.20 -0.76 0.00 0.00 0.00 175.10 174.53 2brr s LEU 160 N 1.00 2.36 -0.03 3.92 1.43 -0.11 -4.98 118.68 122.28 2brr s LEU 160 Ca 0.05 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 2brr s LEU 160 Cb -0.14 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 2brr s LEU 160 CO 0.03 0.21 -0.24 0.20 0.23 0.00 0.00 176.35 176.78 2brr s ASN 161 N 0.09 3.21 -0.01 2.29 0.02 -1.26 -1.28 114.94 117.99 2brr s ASN 161 Ca -0.09 -0.43 0.01 0.00 -1.02 0.00 0.00 52.86 51.34 2brr s ASN 161 Cb -0.15 -0.44 0.00 0.00 0.02 0.00 0.00 41.25 40.68 2brr s ASN 161 CO 0.06 0.32 -0.04 -0.55 0.02 0.00 0.00 177.10 176.91 2brr s SER 162 N -0.61 0.53 -0.05 -1.22 0.15 -0.26 -4.99 113.70 107.25 2brr s SER 162 Ca 0.10 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.71 2brr s SER 162 Cb -0.10 -0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.07 2brr s SER 162 CO -0.01 0.02 -0.18 0.26 1.20 0.00 0.00 173.24 174.54 2brr s TRP 163 N 0.14 2.61 0.84 3.44 0.51 -1.26 -0.34 118.94 124.89 2brr s TRP 163 Ca -0.01 -0.33 -0.11 0.00 -2.12 0.00 0.00 56.10 53.53 2brr s TRP 163 Cb -0.05 -1.62 0.10 0.00 -0.81 0.00 0.00 33.47 31.09 2brr s TRP 163 CO -0.00 0.05 1.10 0.95 -0.51 0.00 0.00 176.95 178.54 2brr s THR 164 N -0.52 2.92 0.83 2.01 -4.23 0.04 -5.01 115.64 111.68 2brr s THR 164 Ca 0.07 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.76 2brr s THR 164 Cb -0.11 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 71.10 2brr s THR 164 CO 0.01 -0.39 1.11 -1.81 -0.54 0.00 0.00 174.62 173.00 2brr s ASP 165 N -3.29 4.23 0.34 3.99 1.01 -1.26 -4.64 116.67 117.05 2brr s ASP 165 Ca 0.63 1.19 -0.29 0.00 0.71 0.00 0.00 52.55 54.79 2brr s ASP 165 Cb -0.18 -1.87 -0.11 0.00 1.01 0.00 0.00 42.92 41.76 2brr s ASP 165 CO 0.57 -2.12 1.48 -1.58 0.21 0.00 0.00 175.17 173.73 2brr s GLN 166 N -5.21 4.16 0.10 8.23 0.74 -1.26 -4.78 119.66 121.64 2brr s GLN 166 Ca 0.62 2.50 -0.31 0.00 0.05 0.00 0.00 55.36 58.21 2brr s GLN 166 Cb -0.14 -3.01 -0.08 0.00 1.10 0.00 0.00 33.01 30.88 2brr s GLN 166 CO 0.54 -0.50 1.39 0.34 -0.55 0.00 0.00 175.29 176.51 2brr s ASP 167 N -0.00 6.84 0.52 6.67 2.15 0.25 -4.92 116.67 128.17 2brr s ASP 167 Ca 0.55 2.29 0.30 0.00 0.43 0.00 0.00 52.55 56.13 2brr s ASP 167 Cb -0.45 -2.58 1.09 0.00 -0.30 0.00 0.00 42.92 40.67 2brr s ASP 167 CO 0.56 -0.65 1.88 0.77 -0.17 0.00 0.00 175.17 177.56 2brr h SER 168 N 6.92 0.00 0.03 -0.34 4.64 -1.91 -1.12 113.55 121.77 2brr h SER 168 Ca -0.42 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.53 2brr h SER 168 Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 2brr h SER 168 CO 0.87 0.02 -2.17 0.29 -0.87 0.00 0.00 176.83 174.97 2brr n LYS 169 N -3.12 0.65 0.00 4.77 5.02 -1.26 -2.87 118.16 121.34 2brr n LYS 169 Ca 0.01 0.28 0.03 0.00 -2.02 0.00 0.00 58.31 56.61 2brr n LYS 169 Cb 0.37 -1.60 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 2brr n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2brr n ASP 170 N -3.78 1.13 -0.99 4.39 5.68 -1.25 -4.90 116.55 116.83 2brr n ASP 170 Ca -0.43 -1.07 -0.13 0.00 -0.50 0.00 0.00 54.79 52.67 2brr n ASP 170 Cb 0.92 0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 41.11 2brr n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2brr n SER 171 N -0.06 -4.91 -4.89 -1.12 7.64 -0.42 -4.98 113.62 104.87 2brr n SER 171 Ca 0.03 0.32 -0.24 0.00 1.01 0.00 0.00 58.87 59.99 2brr n SER 171 Cb 0.12 -3.55 0.07 0.00 -1.01 0.00 0.00 64.21 59.83 2brr n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2brr s THR 172 N -2.36 2.39 0.18 0.44 -4.23 -1.26 -4.67 115.64 106.13 2brr s THR 172 Ca 0.00 -0.43 0.10 0.00 -1.18 0.00 0.00 61.69 60.18 2brr s THR 172 Cb 0.00 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 2brr s THR 172 CO 0.00 0.00 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.56 2brr s TYR 173 N -3.09 2.09 0.11 3.99 2.02 0.60 -0.58 117.35 122.50 2brr s TYR 173 Ca 0.60 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.97 2brr s TYR 173 Cb -0.10 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 2brr s TYR 173 CO 0.43 0.43 -0.17 -1.12 -1.57 0.00 0.00 175.55 173.55 2brr s SER 174 N -2.68 2.24 0.02 2.29 0.01 -1.26 -0.19 113.70 114.12 2brr s SER 174 Ca 0.19 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.73 2brr s SER 174 Cb -0.07 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 2brr s SER 174 CO 0.09 -0.04 -0.06 -0.32 0.41 0.00 0.00 173.24 173.31 2brr s MET 175 N -2.21 0.46 -0.08 12.44 0.00 0.23 -0.78 119.30 129.36 2brr s MET 175 Ca 0.07 -0.49 0.03 0.00 0.00 0.00 0.00 55.69 55.30 2brr s MET 175 Cb -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 34.83 34.41 2brr s MET 175 CO 0.04 0.07 -0.17 0.45 0.00 0.00 0.00 175.02 175.41 2brr s SER 176 N -0.90 3.77 -0.09 1.11 0.15 0.54 -0.73 113.70 117.55 2brr s SER 176 Ca -0.05 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.29 2brr s SER 176 Cb -0.06 -1.15 0.02 0.00 -1.71 0.00 0.00 66.02 63.12 2brr s SER 176 CO 0.00 0.25 -0.12 -0.55 1.20 0.00 0.00 173.24 174.02 2brr s SER 177 N -0.16 2.04 -0.15 5.45 0.15 0.30 -1.10 113.70 120.22 2brr s SER 177 Ca -0.01 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.33 2brr s SER 177 Cb -0.14 -0.89 0.01 0.00 -1.71 0.00 0.00 66.02 63.29 2brr s SER 177 CO 0.03 -0.01 -0.21 -0.89 1.20 0.00 0.00 173.24 173.36 2brr s THR 178 N 1.03 2.07 -0.27 6.45 2.01 -0.41 0.27 115.64 126.80 2brr s THR 178 Ca -0.07 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 60.85 2brr s THR 178 Cb -0.15 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 2brr s THR 178 CO -0.01 0.55 0.17 -0.22 -0.69 0.00 0.00 174.62 174.42 2brr s LEU 179 N 0.92 3.97 -0.22 4.42 2.96 0.12 -0.93 118.68 129.92 2brr s LEU 179 Ca -0.04 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 2brr s LEU 179 Cb -0.15 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 2brr s LEU 179 CO -0.04 -0.03 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.02 2brr s THR 180 N 1.66 3.46 0.40 3.68 2.01 0.07 0.71 115.64 127.63 2brr s THR 180 Ca 0.07 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.67 2brr s THR 180 Cb -0.16 -2.57 -0.08 0.00 0.01 0.00 0.00 72.50 69.71 2brr s THR 180 CO 0.09 0.42 0.00 -0.76 -0.69 0.00 0.00 174.62 173.69 2brr s LEU 181 N 1.38 2.86 0.53 4.42 1.43 0.54 -4.72 118.68 125.11 2brr s LEU 181 Ca 0.05 -1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 51.62 2brr s LEU 181 Cb -0.14 -0.90 -0.07 0.00 0.03 0.00 0.00 46.19 45.11 2brr s LEU 181 CO -0.02 -0.43 1.01 0.42 0.23 0.00 0.00 176.35 177.56 2brr s THR 182 N -2.71 4.16 0.25 5.49 -4.23 -1.26 -0.28 115.64 117.06 2brr s THR 182 Ca 0.35 1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 61.93 2brr s THR 182 Cb 0.09 -3.55 0.23 0.00 1.34 0.00 0.00 72.50 70.61 2brr s THR 182 CO 0.18 -0.52 1.72 0.50 -0.54 0.00 0.00 174.62 175.96 2brr h LYS 183 N 0.96 0.42 -0.42 3.99 3.11 -1.34 -0.07 116.57 123.23 2brr h LYS 183 Ca -0.47 -0.03 0.08 0.00 -2.81 0.00 0.00 60.65 57.42 2brr h LYS 183 Cb 1.20 -0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 32.27 2brr h LYS 183 CO 0.60 0.28 -0.02 -0.44 -2.81 0.00 0.00 179.45 177.05 2brr h ASP 184 N 0.43 -0.21 -0.41 4.20 3.32 -1.93 -0.94 116.42 120.88 2brr h ASP 184 Ca 0.43 0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.44 2brr h ASP 184 Cb 0.67 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2brr h ASP 184 CO -0.42 -0.07 -0.29 -0.08 -1.72 0.00 0.00 179.24 176.65 2brr h GLU 185 N 0.09 0.94 -0.68 3.56 4.81 -1.78 -2.95 114.58 118.56 2brr h GLU 185 Ca 0.21 -0.44 0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2brr h GLU 185 Cb 0.30 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.60 2brr h GLU 185 CO -0.36 1.10 0.33 -0.92 -0.73 0.00 0.00 179.01 178.43 2brr h TYR 186 N 0.79 0.59 -0.04 0.92 3.20 -0.66 -2.47 116.97 119.31 2brr h TYR 186 Ca 0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2brr h TYR 186 Cb 0.87 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2brr h TYR 186 CO 0.05 0.21 0.00 0.39 -1.64 0.00 0.00 178.16 177.18 2brr n GLU 187 N -4.88 1.35 0.00 1.82 1.02 -0.39 -2.57 120.64 116.99 2brr n GLU 187 Ca 0.10 -0.52 0.14 0.00 -0.02 0.00 0.00 57.16 56.86 2brr n GLU 187 Cb 0.26 -1.43 0.59 0.00 -0.02 0.00 0.00 31.44 30.84 2brr n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2brr n ARG 188 N -0.33 0.32 -4.44 3.49 1.74 -0.93 -4.94 116.66 111.57 2brr n ARG 188 Ca 0.19 -0.08 -0.21 0.00 -0.77 0.00 0.00 57.85 56.98 2brr n ARG 188 Cb 0.22 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.05 2brr n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2brr s HIS 189 N -2.74 1.93 -0.04 -1.55 3.76 -1.06 -5.10 115.29 110.49 2brr s HIS 189 Ca 0.21 -0.95 -0.01 0.00 -0.15 0.00 0.00 55.06 54.17 2brr s HIS 189 Cb 0.19 -1.24 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 2brr s HIS 189 CO 0.52 0.01 -0.05 -1.71 -0.85 0.00 0.00 174.74 172.67 2brr n ASN 190 N -0.66 2.26 -4.63 1.40 5.15 -1.26 -4.83 115.26 112.69 2brr n ASN 190 Ca -0.02 0.01 -0.34 0.00 -0.60 0.00 0.00 54.58 53.63 2brr n ASN 190 Cb 0.66 -0.10 -0.10 0.00 -0.53 0.00 0.00 39.78 39.71 2brr n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2brr s SER 191 N -4.84 4.90 -0.07 1.20 1.04 -1.26 -0.39 113.70 114.28 2brr s SER 191 Ca -0.06 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.40 2brr s SER 191 Cb 0.02 -1.28 0.02 0.00 0.10 0.00 0.00 66.02 64.88 2brr s SER 191 CO 0.09 0.35 -0.07 -0.31 0.98 0.00 0.00 173.24 174.28 2brr s TYR 192 N -0.90 1.12 -0.02 5.02 1.51 -0.25 -0.65 117.35 123.18 2brr s TYR 192 Ca 0.14 -0.42 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 2brr s TYR 192 Cb -0.11 -0.93 -0.00 0.00 -0.11 0.00 0.00 41.96 40.80 2brr s TYR 192 CO 0.04 -0.31 -0.13 0.99 -1.11 0.00 0.00 175.55 175.03 2brr s THR 193 N 1.15 1.07 -0.08 -0.71 2.01 0.12 -1.25 115.64 117.95 2brr s THR 193 Ca -0.06 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.44 2brr s THR 193 Cb -0.14 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 2brr s THR 193 CO -0.01 0.31 -0.24 0.00 -0.69 0.00 0.00 174.62 173.99 2brr s GLU 195 N 0.05 2.70 -0.24 0.00 2.02 0.88 -1.76 118.70 122.35 2brr s GLU 195 Ca -0.10 -0.75 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 2brr s GLU 195 Cb -0.15 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 2brr s GLU 195 CO 0.06 0.04 0.15 0.00 0.02 0.00 0.00 175.26 175.53 2brr s ALA 196 N 0.68 3.55 -0.04 5.21 0.00 0.55 -0.71 121.76 131.01 2brr s ALA 196 Ca -0.12 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.94 2brr s ALA 196 Cb -0.16 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2brr s ALA 196 CO 0.02 -0.21 -0.04 -0.08 0.00 0.00 0.00 175.76 175.45 2brr s THR 197 N 1.10 0.47 0.39 0.00 -1.32 -0.05 -0.40 115.64 115.82 2brr s THR 197 Ca 0.07 -0.09 -0.25 0.00 -1.21 0.00 0.00 61.69 60.21 2brr s THR 197 Cb -0.14 -0.50 -0.09 0.00 -1.51 0.00 0.00 72.50 70.27 2brr s THR 197 CO 0.05 0.21 1.11 -1.38 -2.21 0.00 0.00 174.62 172.40 2brr s HIS 198 N 0.89 3.18 0.35 9.09 -3.43 -1.26 -0.36 115.29 123.75 2brr s HIS 198 Ca -0.11 1.60 0.32 0.00 -0.80 0.00 0.00 55.06 56.07 2brr s HIS 198 Cb -0.14 -3.27 1.56 0.00 -1.43 0.00 0.00 32.58 29.29 2brr s HIS 198 CO -0.00 -0.98 2.08 0.87 -2.00 0.00 0.00 174.74 174.71 2brr h LYS 199 N 2.64 0.00 -0.62 -0.38 1.57 -1.96 -2.61 116.57 115.20 2brr h LYS 199 Ca -0.48 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 2brr h LYS 199 Cb 1.23 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 2brr h LYS 199 CO 0.63 0.08 0.10 2.41 -0.57 0.00 0.00 179.45 182.09 2brr n THR 200 N -3.37 2.82 -4.02 -0.16 -1.04 -1.26 -4.95 114.28 102.29 2brr n THR 200 Ca -0.01 -1.53 -0.13 0.00 -2.04 0.00 0.00 64.05 60.34 2brr n THR 200 Cb 0.24 -0.31 -0.13 0.00 -1.82 0.00 0.00 70.33 68.31 2brr n THR 200 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2brr s SER 201 N -0.95 0.41 0.29 8.00 0.15 -0.98 -5.03 113.70 115.59 2brr s SER 201 Ca 0.54 -0.22 0.20 0.00 0.70 0.00 0.00 55.95 57.17 2brr s SER 201 Cb 0.42 -0.00 0.12 0.00 -1.71 0.00 0.00 66.02 64.85 2brr s SER 201 CO 0.15 -0.06 1.33 0.74 1.20 0.00 0.00 173.24 176.59 2brr h THR 202 N 4.90 0.31 -3.25 6.45 2.02 -1.92 -3.43 112.91 117.98 2brr h THR 202 Ca -0.29 -1.47 -0.71 0.00 0.77 0.00 0.00 66.41 64.70 2brr h THR 202 Cb 1.20 2.01 -0.21 0.00 -1.74 0.00 0.00 68.15 69.42 2brr h THR 202 CO 0.47 0.18 -0.14 -0.44 0.37 0.00 0.00 175.52 175.95 2brr s SER 203 N -6.03 6.18 0.91 4.18 0.01 -1.26 -5.06 113.70 112.63 2brr s SER 203 Ca 0.03 -1.18 -0.14 0.00 1.31 0.00 0.00 55.95 55.98 2brr s SER 203 Cb 0.07 -2.24 0.15 0.00 0.21 0.00 0.00 66.02 64.21 2brr s SER 203 CO 0.74 -0.78 1.22 -2.16 0.41 0.00 0.00 173.24 172.67 2brr s PRO 204 N 2.11 1.14 -0.15 12.44 0.04 -1.26 -4.77 135.00 144.55 2brr s PRO 204 Ca 0.09 -0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.07 2brr s PRO 204 Cb -0.22 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2brr s PRO 204 CO 0.09 -2.13 -0.18 0.42 0.04 0.00 0.00 177.00 175.24 2brr s ILE 205 N -3.62 2.39 0.00 0.56 1.01 0.46 -4.94 121.20 117.07 2brr s ILE 205 Ca 0.67 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 60.54 2brr s ILE 205 Cb -0.09 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 2brr s ILE 205 CO 0.52 0.53 -0.25 0.68 0.00 0.00 0.00 174.94 176.41 2brr s VAL 206 N 0.86 2.03 -0.00 2.92 -7.23 -1.26 -0.33 120.40 117.39 2brr s VAL 206 Ca -0.05 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 2brr s VAL 206 Cb -0.15 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.08 2brr s VAL 206 CO -0.02 0.49 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.67 2brr s LYS 207 N -0.83 0.43 0.18 4.82 -0.14 -0.72 -5.02 119.74 118.45 2brr s LYS 207 Ca 0.10 -0.21 -0.03 0.00 -1.36 0.00 0.00 55.97 54.48 2brr s LYS 207 Cb -0.10 -0.40 -0.03 0.00 -1.68 0.00 0.00 37.83 35.61 2brr s LYS 207 CO 0.00 0.11 0.14 -1.54 -0.76 0.00 0.00 175.35 173.30 2brr s SER 208 N -0.19 0.18 0.20 2.83 1.04 -1.26 -1.26 113.70 115.24 2brr s SER 208 Ca 0.01 -1.25 -0.09 0.00 0.48 0.00 0.00 55.95 55.11 2brr s SER 208 Cb -0.02 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2brr s SER 208 CO -0.00 -0.83 0.32 0.72 0.98 0.00 0.00 173.24 174.43 2brr s PHE 209 N -4.10 0.53 0.05 5.02 -0.12 -0.38 -4.99 117.98 113.99 2brr s PHE 209 Ca 0.31 -0.87 0.09 0.00 -0.05 0.00 0.00 56.93 56.41 2brr s PHE 209 Cb 0.06 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 2brr s PHE 209 CO 0.07 -0.80 -0.25 -0.80 -0.05 0.00 0.00 175.22 173.39 2brr s ASN 210 N -3.02 3.05 0.42 1.98 0.01 -1.26 -1.09 114.94 115.04 2brr s ASN 210 Ca 0.23 -0.58 0.23 0.00 -0.71 0.00 0.00 52.86 52.03 2brr s ASN 210 Cb 0.03 -0.27 0.85 0.00 0.41 0.00 0.00 41.25 42.26 2brr s ASN 210 CO 0.05 0.24 1.80 0.03 -1.51 0.00 0.00 177.10 177.71 2brr h ARG 211 N 4.79 0.00 0.00 -0.60 3.08 -1.04 -3.33 114.38 117.28 2brr h ARG 211 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2brr h ARG 211 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2brr h ARG 211 CO 0.43 0.26 -1.32 0.27 -1.07 0.00 0.00 179.97 178.54 2brr n ASN 212 N -3.42 0.50 -3.60 7.04 6.94 -1.26 -4.98 115.26 116.48 2brr n ASN 212 Ca 0.00 -0.07 -0.11 0.00 -0.02 0.00 0.00 54.58 54.39 2brr n ASN 212 Cb 0.45 1.10 -0.04 0.00 -2.36 0.00 0.00 39.78 38.92 2brr n ASN 212 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 2brr s GLU 213 N -3.32 1.09 0.00 -3.83 -1.05 -1.25 -5.28 118.70 105.06 2brr s GLU 213 Ca -0.01 -0.64 0.16 0.00 -0.15 0.00 0.00 54.97 54.33 2brr s GLU 213 Cb 0.13 0.48 0.95 0.00 -0.44 0.00 0.00 34.13 35.25 2brr s GLU 213 CO 0.84 -0.43 1.36 0.00 0.95 0.00 0.00 175.26 177.97