#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e n LYS 2 N 0.00 -1.75 -4.51 0.03 4.81 -1.26 -5.09 118.16 110.40 2k2e n LYS 2 Ca 0.00 1.67 -0.26 0.00 -0.87 0.00 0.00 58.31 58.85 2k2e n LYS 2 Cb 0.00 -4.01 -0.08 0.00 0.02 0.00 0.00 35.03 30.96 2k2e n LYS 2 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k2e s LEU 3 N -1.67 1.97 0.03 3.14 1.43 -1.26 -5.05 118.68 117.27 2k2e s LEU 3 Ca 0.10 -1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 51.31 2k2e s LEU 3 Cb -0.03 -0.02 -0.22 0.00 0.03 0.00 0.00 46.19 45.95 2k2e s LEU 3 CO 0.49 -0.98 1.15 -0.74 0.23 0.00 0.00 176.35 176.50 2k2e h HIS 4 N 1.77 0.75 -3.53 0.29 -0.00 -2.08 -3.41 115.15 108.93 2k2e h HIS 4 Ca -0.34 -0.39 -0.63 0.00 -0.00 0.00 0.00 60.37 59.02 2k2e h HIS 4 Cb 1.27 -0.09 -0.40 0.00 -0.00 0.00 0.00 27.41 28.19 2k2e h HIS 4 CO 1.64 1.20 -0.74 0.99 -0.00 0.00 0.00 177.93 181.03 2k2e s THR 5 N -3.35 1.77 0.71 6.26 2.01 -1.26 -5.12 115.64 116.67 2k2e s THR 5 Ca -0.12 -1.92 -0.11 0.00 0.31 0.00 0.00 61.69 59.84 2k2e s THR 5 Cb 0.05 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.30 2k2e s THR 5 CO 0.85 -0.55 1.10 1.51 -0.69 0.00 0.00 174.62 176.83 2k2e s ASP 6 N 1.17 5.35 -0.67 3.53 -4.77 -1.26 -4.91 116.67 115.12 2k2e s ASP 6 Ca 0.08 1.16 -0.25 0.00 -3.30 0.00 0.00 52.55 50.24 2k2e s ASP 6 Cb -0.18 -1.96 -0.12 0.00 -1.09 0.00 0.00 42.92 39.56 2k2e s ASP 6 CO -0.13 -1.40 2.42 -2.65 0.70 0.00 0.00 175.17 174.11 2k2e n PRO 7 N -3.05 0.73 -3.05 2.11 -0.02 -1.26 -4.76 135.00 125.70 2k2e n PRO 7 Ca 0.07 -0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.24 2k2e n PRO 7 Cb 0.57 -3.31 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 2k2e n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e s ALA 8 N 12.50 -3.92 0.32 3.55 0.00 -1.26 -5.17 121.76 127.77 2k2e s ALA 8 Ca 1.00 1.25 0.07 0.00 0.00 0.00 0.00 51.96 54.28 2k2e s ALA 8 Cb -0.26 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2k2e s ALA 8 CO 0.22 -2.19 0.29 0.95 0.00 0.00 0.00 175.76 175.03 2k2e s THR 9 N 2.61 3.80 0.06 0.00 -4.23 -1.26 -5.08 115.64 111.54 2k2e s THR 9 Ca 0.22 -1.33 -0.31 0.00 -1.18 0.00 0.00 61.69 59.09 2k2e s THR 9 Cb -0.01 -3.26 -0.06 0.00 1.34 0.00 0.00 72.50 70.51 2k2e s THR 9 CO -0.20 -0.21 1.20 0.00 -0.54 0.00 0.00 174.62 174.87 2k2e s ALA 10 N -2.25 3.39 -0.27 3.99 0.00 -1.26 -4.98 121.76 120.38 2k2e s ALA 10 Ca 0.40 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.92 2k2e s ALA 10 Cb -0.07 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.62 2k2e s ALA 10 CO 0.27 -0.43 1.14 -0.51 0.00 0.00 0.00 175.76 176.23 2k2e s LEU 11 N 1.05 4.00 -0.85 0.00 1.43 -1.26 -4.80 118.68 118.25 2k2e s LEU 11 Ca 0.59 1.26 -0.25 0.00 -1.03 0.00 0.00 54.13 54.70 2k2e s LEU 11 Cb -0.30 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.40 2k2e s LEU 11 CO 0.29 -0.85 1.54 0.21 0.23 0.00 0.00 176.35 177.77 2k2e s ASN 12 N 1.83 5.97 -0.09 2.29 2.47 -1.26 -4.97 114.94 121.18 2k2e s ASN 12 Ca 0.49 -0.73 -0.01 0.00 0.42 0.00 0.00 52.86 53.03 2k2e s ASN 12 Cb -0.15 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 37.06 2k2e s ASN 12 CO 0.15 -1.96 -0.05 -0.89 -3.72 0.00 0.00 177.10 170.63 2k2e s THR 13 N 6.72 3.87 0.04 -5.21 2.01 -1.26 -4.74 115.64 117.07 2k2e s THR 13 Ca 0.50 -0.41 -0.31 0.00 0.31 0.00 0.00 61.69 61.79 2k2e s THR 13 Cb -0.06 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.78 2k2e s THR 13 CO 0.04 0.58 1.35 -0.69 -0.69 0.00 0.00 174.62 175.21 2k2e s VAL 14 N -0.57 3.68 -0.14 3.82 1.01 -1.26 -0.95 120.40 126.00 2k2e s VAL 14 Ca 0.09 1.14 -0.12 0.00 0.00 0.00 0.00 61.98 63.09 2k2e s VAL 14 Cb -0.12 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 2k2e s VAL 14 CO 0.02 0.04 -0.25 0.35 0.00 0.00 0.00 175.10 175.26 2k2e n THR 15 N 4.33 1.30 -4.90 3.92 -2.24 -0.43 -4.82 114.28 111.44 2k2e n THR 15 Ca 0.12 0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.61 2k2e n THR 15 Cb 0.44 -2.00 -0.14 0.00 -2.10 0.00 0.00 70.33 66.53 2k2e n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k2e s ALA 16 N -2.54 2.58 0.41 6.98 0.00 -0.90 -5.04 121.76 123.25 2k2e s ALA 16 Ca -0.23 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 50.83 2k2e s ALA 16 Cb 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2k2e s ALA 16 CO 0.32 0.42 0.57 0.71 0.00 0.00 0.00 175.76 177.79 2k2e s TYR 17 N -0.25 2.99 0.05 0.00 2.02 -1.26 -1.15 117.35 119.75 2k2e s TYR 17 Ca 0.01 -0.19 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 2k2e s TYR 17 Cb -0.13 -2.27 0.02 0.00 -0.40 0.00 0.00 41.96 39.17 2k2e s TYR 17 CO 0.03 -0.32 0.25 0.41 -1.57 0.00 0.00 175.55 174.35 2k2e n GLY 18 N -1.87 1.16 0.05 0.71 0.00 -1.14 -4.85 105.19 99.25 2k2e n GLY 18 Ca 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 2k2e n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2e n ASP 19 N -0.77 1.20 -0.27 1.61 9.92 -1.26 -4.62 116.55 122.37 2k2e n ASP 19 Ca -0.01 0.40 0.12 0.00 -0.53 0.00 0.00 54.79 54.78 2k2e n ASP 19 Cb 0.14 -0.71 0.29 0.00 -0.64 0.00 0.00 41.12 40.21 2k2e n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k2e n GLY 20 N 1.59 -0.55 2.97 0.44 0.00 -1.26 -3.29 105.19 105.09 2k2e n GLY 20 Ca -0.06 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2k2e n GLY 20 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2e s TYR 21 N -2.54 0.24 -0.14 1.61 1.13 -1.26 -3.01 117.35 113.37 2k2e s TYR 21 Ca 0.22 -0.46 0.00 0.00 -1.41 0.00 0.00 57.07 55.42 2k2e s TYR 21 Cb 0.19 -0.17 0.02 0.00 -1.10 0.00 0.00 41.96 40.90 2k2e s TYR 21 CO 0.55 -0.16 -0.14 0.42 -2.51 0.00 0.00 175.55 173.71 2k2e s ILE 22 N -1.27 1.55 -0.36 -3.49 1.01 0.84 -2.90 121.20 116.59 2k2e s ILE 22 Ca -0.14 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 2k2e s ILE 22 Cb -0.09 -1.46 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 2k2e s ILE 22 CO -0.01 0.46 0.41 -0.70 0.00 0.00 0.00 174.94 175.10 2k2e s GLU 23 N 1.45 3.48 -0.22 2.79 2.12 -0.30 -0.69 118.70 127.33 2k2e s GLU 23 Ca 0.04 -0.44 -0.08 0.00 0.36 0.00 0.00 54.97 54.86 2k2e s GLU 23 Cb -0.13 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 2k2e s GLU 23 CO -0.10 -0.62 0.08 0.08 -0.54 0.00 0.00 175.26 174.16 2k2e s VAL 24 N 2.12 4.65 0.00 3.70 1.01 -0.09 -1.32 120.40 130.46 2k2e s VAL 24 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2k2e s VAL 24 Cb -0.16 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2k2e s VAL 24 CO 0.12 0.39 0.00 0.59 0.00 0.00 0.00 175.10 176.21 2k2e n ASN 25 N 4.21 0.00 -0.30 3.32 3.02 -0.12 -0.90 115.26 124.48 2k2e n ASN 25 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2k2e n ASN 25 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2e n GLN 26 N 0.00 0.00 -4.94 3.52 6.02 -1.26 -4.70 117.38 116.02 2k2e n GLN 26 Ca 0.00 -0.74 -0.33 0.00 -0.01 0.00 0.00 57.00 55.92 2k2e n GLN 26 Cb 0.00 -0.46 -0.15 0.00 1.02 0.00 0.00 30.24 30.64 2k2e n GLN 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2k2e s VAL 27 N 0.00 2.63 -0.35 5.09 1.01 -0.08 -5.09 120.40 123.61 2k2e s VAL 27 Ca 0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 2k2e s VAL 27 Cb 0.00 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.32 2k2e s VAL 27 CO 0.00 0.54 0.74 -0.13 0.00 0.00 0.00 175.10 176.25 2k2e s ARG 28 N 0.37 3.76 -0.45 2.72 0.52 -1.26 -0.92 118.95 123.69 2k2e s ARG 28 Ca -0.14 0.28 -0.08 0.00 -0.52 0.00 0.00 55.73 55.27 2k2e s ARG 28 Cb -0.17 -3.80 0.11 0.00 0.52 0.00 0.00 34.95 31.62 2k2e s ARG 28 CO 0.07 -0.80 0.31 -0.06 0.02 0.00 0.00 175.30 174.84 2k2e s PHE 29 N 2.98 3.45 -0.11 -0.53 0.08 0.13 -4.92 117.98 119.05 2k2e s PHE 29 Ca 0.30 -1.96 0.00 0.00 0.12 0.00 0.00 56.93 55.39 2k2e s PHE 29 Cb -0.14 -3.39 0.10 0.00 -0.57 0.00 0.00 43.02 39.02 2k2e s PHE 29 CO 0.16 -0.98 1.70 0.43 -0.10 0.00 0.00 175.22 176.43 2k2e n SER 30 N 4.84 4.83 -4.61 1.36 7.64 -1.26 -0.11 113.62 126.30 2k2e n SER 30 Ca -0.07 -2.54 -0.28 0.00 1.01 0.00 0.00 58.87 56.99 2k2e n SER 30 Cb 0.41 -0.90 -0.11 0.00 -1.01 0.00 0.00 64.21 62.60 2k2e n SER 30 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2k2e s HIS 31 N -0.69 2.50 -0.57 1.43 3.76 -1.26 -4.72 115.29 115.74 2k2e s HIS 31 Ca 0.12 -0.67 -0.25 0.00 -0.15 0.00 0.00 55.06 54.11 2k2e s HIS 31 Cb 0.10 -1.75 0.04 0.00 1.11 0.00 0.00 32.58 32.07 2k2e s HIS 31 CO 0.01 0.44 0.99 0.00 -0.85 0.00 0.00 174.74 175.33 2k2e s ALA 32 N -2.72 3.12 -0.12 -1.40 0.00 -1.25 -4.51 121.76 114.87 2k2e s ALA 32 Ca 0.35 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2k2e s ALA 32 Cb 0.10 -3.80 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 2k2e s ALA 32 CO 0.18 -2.48 -0.10 0.96 0.00 0.00 0.00 175.76 174.32 2k2e s ILE 33 N 4.16 3.37 -0.20 0.00 -4.36 -0.61 0.35 121.20 123.91 2k2e s ILE 33 Ca 0.32 -0.56 -0.02 0.00 -0.26 0.00 0.00 60.65 60.12 2k2e s ILE 33 Cb -0.12 -2.42 -0.00 0.00 1.25 0.00 0.00 42.46 41.17 2k2e s ILE 33 CO 0.19 0.53 -0.08 0.00 0.24 0.00 0.00 174.94 175.82 2k2e s ALA 34 N 0.09 2.70 0.05 2.27 0.00 0.64 -0.55 121.76 126.97 2k2e s ALA 34 Ca -0.04 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 2k2e s ALA 34 Cb -0.14 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.45 2k2e s ALA 34 CO 0.04 -0.31 0.23 -0.59 0.00 0.00 0.00 175.76 175.13 2k2e s PHE 35 N 1.26 0.02 0.17 0.00 -0.71 -0.12 -0.16 117.98 118.44 2k2e s PHE 35 Ca 0.03 -0.25 0.06 0.00 -1.04 0.00 0.00 56.93 55.73 2k2e s PHE 35 Cb -0.14 0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.63 2k2e s PHE 35 CO -0.04 -0.48 -0.12 0.00 -1.34 0.00 0.00 175.22 173.25 2k2e s ALA 36 N -2.80 1.71 0.49 1.99 0.00 -1.26 -2.05 121.76 119.84 2k2e s ALA 36 Ca -0.03 -1.56 0.27 0.00 0.00 0.00 0.00 51.96 50.63 2k2e s ALA 36 Cb 0.00 -0.02 1.54 0.00 0.00 0.00 0.00 23.12 24.65 2k2e s ALA 36 CO -0.05 -0.02 2.14 -1.00 0.00 0.00 0.00 175.76 176.83 2k2e h PRO 37 N 2.69 0.00 -4.32 0.00 0.13 -1.85 -3.37 132.00 125.28 2k2e h PRO 37 Ca -0.37 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.14 2k2e h PRO 37 Cb 1.20 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.95 2k2e h PRO 37 CO 0.62 0.08 -0.78 -2.00 -0.23 0.00 0.00 178.00 175.69 2k2e s GLU 38 N -4.44 1.54 0.00 0.86 2.56 -1.26 -4.39 118.70 113.57 2k2e s GLU 38 Ca -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 54.97 53.85 2k2e s GLU 38 Cb 0.14 -2.60 0.00 0.00 2.00 0.00 0.00 34.13 33.67 2k2e s GLU 38 CO 0.58 -0.66 0.00 0.41 -0.56 0.00 0.00 175.26 175.03 2k2e n GLY 39 N 4.64 0.85 2.90 -1.50 0.00 -1.26 -5.12 105.19 105.70 2k2e n GLY 39 Ca -0.10 -1.99 -0.19 0.00 0.00 0.00 0.00 46.02 43.74 2k2e n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k2e n PRO 40 N -0.05 -0.31 -4.09 1.61 -0.04 -1.26 -4.81 135.00 126.05 2k2e n PRO 40 Ca 0.00 -1.86 -0.34 0.00 -0.04 0.00 0.00 63.50 61.26 2k2e n PRO 40 Cb 0.00 -0.69 -0.14 0.00 -0.04 0.00 0.00 33.50 32.63 2k2e n PRO 40 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k2e s VAL 41 N -2.59 3.14 -0.29 0.52 1.01 -1.26 -4.14 120.40 116.80 2k2e s VAL 41 Ca 0.52 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 2k2e s VAL 41 Cb -0.02 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2k2e s VAL 41 CO 0.35 0.46 0.21 0.00 0.00 0.00 0.00 175.10 176.12 2k2e s ALA 42 N 1.24 3.53 -0.12 5.51 0.00 0.78 -4.97 121.76 127.73 2k2e s ALA 42 Ca 0.03 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 50.73 2k2e s ALA 42 Cb -0.14 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 2k2e s ALA 42 CO -0.03 -0.61 0.38 0.45 0.00 0.00 0.00 175.76 175.95 2k2e s SER 43 N 1.75 6.59 -0.12 0.00 0.15 -1.26 -0.26 113.70 120.55 2k2e s SER 43 Ca 0.07 0.70 -0.10 0.00 0.70 0.00 0.00 55.95 57.33 2k2e s SER 43 Cb -0.16 -2.23 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 2k2e s SER 43 CO 0.11 0.10 0.21 0.26 1.20 0.00 0.00 173.24 175.12 2k2e s TRP 44 N 0.26 3.57 -2.13 3.44 0.52 0.16 -4.97 118.94 119.80 2k2e s TRP 44 Ca 0.21 0.59 0.31 0.00 0.02 0.00 0.00 56.10 57.23 2k2e s TRP 44 Cb -0.14 -2.09 1.68 0.00 -1.15 0.00 0.00 33.47 31.77 2k2e s TRP 44 CO 0.08 0.59 2.10 -0.35 0.02 0.00 0.00 176.95 179.39 2k2e n PRO 45 N 2.41 1.17 -2.88 4.98 -0.04 -1.26 -3.89 135.00 135.49 2k2e n PRO 45 Ca -0.17 -0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 62.62 2k2e n PRO 45 Cb 0.54 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k2e s VAL 46 N -2.00 4.64 -0.91 0.52 1.01 -1.26 -4.87 120.40 117.53 2k2e s VAL 46 Ca 0.45 0.97 0.10 0.00 0.00 0.00 0.00 61.98 63.49 2k2e s VAL 46 Cb 0.22 -4.29 0.23 0.00 0.00 0.00 0.00 36.38 32.53 2k2e s VAL 46 CO 0.36 -0.53 1.13 0.00 0.00 0.00 0.00 175.10 176.06 2k2e n GLN 47 N 6.66 2.33 -3.94 2.72 6.02 -1.26 -4.61 117.38 125.30 2k2e n GLN 47 Ca 0.05 -1.79 -0.29 0.00 -0.01 0.00 0.00 57.00 54.96 2k2e n GLN 47 Cb 0.48 -1.23 -0.16 0.00 1.02 0.00 0.00 30.24 30.35 2k2e n GLN 47 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2k2e s ARG 48 N -0.96 1.71 0.05 -1.09 3.52 -1.26 -4.81 118.95 116.11 2k2e s ARG 48 Ca 0.19 -0.63 0.08 0.00 -0.13 0.00 0.00 55.73 55.23 2k2e s ARG 48 Cb 0.10 -2.15 0.36 0.00 -1.56 0.00 0.00 34.95 31.70 2k2e s ARG 48 CO 0.14 -0.41 1.25 -2.30 -0.81 0.00 0.00 175.30 173.16 2k2e n PRO 49 N 4.80 0.03 0.00 5.12 -0.02 -1.26 -1.60 135.00 142.06 2k2e n PRO 49 Ca -0.13 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 61.93 2k2e n PRO 49 Cb 0.47 -1.57 0.54 0.00 -0.02 0.00 0.00 33.50 32.92 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e n ALA 50 N -1.55 2.75 1.07 3.55 0.00 -1.26 -3.46 120.51 121.60 2k2e n ALA 50 Ca 0.01 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.18 2k2e n ALA 50 Cb 0.07 -1.21 0.11 0.00 0.00 0.00 0.00 19.45 18.42 2k2e n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k2e n ASP 51 N -0.31 2.21 -4.65 0.00 8.00 -0.63 -4.95 116.55 116.22 2k2e n ASP 51 Ca 0.17 -1.61 -0.42 0.00 0.71 0.00 0.00 54.79 53.64 2k2e n ASP 51 Cb 0.32 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 2k2e n ASP 51 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2k2e s ILE 52 N -2.28 3.07 0.30 0.53 1.01 -1.22 -4.97 121.20 117.63 2k2e s ILE 52 Ca 0.24 0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.01 2k2e s ILE 52 Cb 0.19 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 2k2e s ILE 52 CO 0.46 -0.01 0.05 -0.89 0.00 0.00 0.00 174.94 174.54 2k2e s THR 53 N 4.97 1.09 0.15 2.92 2.01 -1.26 -5.03 115.64 120.49 2k2e s THR 53 Ca 0.89 -2.01 -0.24 0.00 0.31 0.00 0.00 61.69 60.64 2k2e s THR 53 Cb -0.40 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.45 2k2e s THR 53 CO 0.40 -0.06 1.61 0.00 -0.69 0.00 0.00 174.62 175.88 2k2e h ALA 54 N 2.21 -0.22 -0.32 7.40 0.00 -1.93 -2.05 119.26 124.35 2k2e h ALA 54 Ca -0.40 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2k2e h ALA 54 Cb 1.24 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2k2e h ALA 54 CO 0.67 -0.73 0.12 0.77 0.00 0.00 0.00 179.25 180.08 2k2e h SER 55 N -0.29 0.40 -0.37 0.00 0.02 -1.98 0.95 113.55 112.28 2k2e h SER 55 Ca 0.15 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2k2e h SER 55 Cb 0.52 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2k2e h SER 55 CO -0.46 0.38 0.06 -0.07 -1.14 0.00 0.00 176.83 175.59 2k2e h LEU 56 N 0.45 0.59 -0.99 5.07 3.38 -1.80 -2.20 115.31 119.80 2k2e h LEU 56 Ca 0.11 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2k2e h LEU 56 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2k2e h LEU 56 CO -0.01 0.70 0.12 -0.07 0.09 0.00 0.00 178.44 179.27 2k2e h LEU 57 N 0.46 0.80 -1.10 1.67 3.38 -0.67 -1.55 115.31 118.29 2k2e h LEU 57 Ca 0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2k2e h LEU 57 Cb 0.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2k2e h LEU 57 CO 0.01 0.79 0.31 -0.61 0.09 0.00 0.00 178.44 179.03 2k2e h GLN 58 N 0.82 0.94 -0.24 1.13 4.15 -0.60 0.99 115.11 122.30 2k2e h GLN 58 Ca 0.18 -0.13 -0.17 0.00 0.77 0.00 0.00 58.65 59.30 2k2e h GLN 58 Cb 0.32 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.84 2k2e h GLN 58 CO 0.00 0.73 -0.51 1.96 -1.93 0.00 0.00 178.83 179.09 2k2e h GLN 59 N 0.93 0.76 0.00 1.69 4.20 -1.03 -3.17 115.11 118.49 2k2e h GLN 59 Ca 0.23 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2k2e h GLN 59 Cb 0.11 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2k2e h GLN 59 CO -0.03 1.13 0.00 0.00 -0.67 0.00 0.00 178.83 179.26 2k2e n ALA 60 N -2.55 2.46 1.18 3.87 0.00 -0.62 -3.15 120.51 121.69 2k2e n ALA 60 Ca -0.05 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.36 2k2e n ALA 60 Cb 0.60 -1.47 0.61 0.00 0.00 0.00 0.00 19.45 19.19 2k2e n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2e n ALA 61 N -1.25 2.22 -2.50 0.00 0.00 0.29 -4.83 120.51 114.45 2k2e n ALA 61 Ca 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 2k2e n ALA 61 Cb 0.21 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.30 2k2e n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 62 N 0.62 0.35 0.91 0.00 0.00 -1.19 -4.70 105.19 101.18 2k2e n GLY 62 Ca 0.12 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.68 2k2e n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k2e n LEU 63 N -1.35 2.62 -4.21 0.99 4.77 -1.26 -4.69 117.00 113.86 2k2e n LEU 63 Ca -0.03 -1.32 -0.43 0.00 -0.03 0.00 0.00 56.01 54.20 2k2e n LEU 63 Cb 0.53 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2k2e n LEU 63 CO 0.14 0.52 1.59 0.00 -1.33 0.00 0.00 177.39 178.31 2k2e n ALA 64 N 0.58 4.51 -2.53 -1.18 0.00 -1.26 -4.96 120.51 115.68 2k2e n ALA 64 Ca 0.14 -4.30 -0.43 0.00 0.00 0.00 0.00 53.44 48.85 2k2e n ALA 64 Cb 0.48 -2.99 -0.02 0.00 0.00 0.00 0.00 19.45 16.92 2k2e n ALA 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k2e s GLU 65 N 0.89 3.75 -0.02 0.00 2.56 -1.26 -4.93 118.70 119.69 2k2e s GLU 65 Ca 0.41 0.78 0.05 0.00 0.00 0.00 0.00 54.97 56.21 2k2e s GLU 65 Cb 0.02 -3.91 -0.01 0.00 2.00 0.00 0.00 34.13 32.23 2k2e s GLU 65 CO 0.00 -1.35 -0.16 0.54 -0.56 0.00 0.00 175.26 173.74 2k2e s VAL 66 N 4.59 1.29 0.47 3.70 0.11 -1.26 -5.13 120.40 124.18 2k2e s VAL 66 Ca 0.52 -0.69 -0.21 0.00 -2.93 0.00 0.00 61.98 58.67 2k2e s VAL 66 Cb -0.10 -1.09 -0.08 0.00 -1.53 0.00 0.00 36.38 33.58 2k2e s VAL 66 CO 0.29 0.37 1.08 -0.69 -3.33 0.00 0.00 175.10 172.82 2k2e s VAL 67 N -0.28 3.55 -1.16 2.04 1.01 -1.26 -4.91 120.40 119.39 2k2e s VAL 67 Ca 0.04 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2k2e s VAL 67 Cb -0.07 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2k2e s VAL 67 CO -0.00 -0.13 0.53 0.54 0.00 0.00 0.00 175.10 176.03 2k2e n ARG 68 N -0.76 0.90 -2.37 2.72 1.74 -1.26 -4.87 116.66 112.77 2k2e n ARG 68 Ca 0.08 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.13 2k2e n ARG 68 Cb 0.51 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 2k2e n ARG 68 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2k2e n ASP 69 N -0.04 -2.51 -4.57 0.55 2.03 -1.26 -4.79 116.55 105.95 2k2e n ASP 69 Ca 0.00 1.06 -0.28 0.00 0.52 0.00 0.00 54.79 56.09 2k2e n ASP 69 Cb 0.19 -4.31 -0.06 0.00 -0.72 0.00 0.00 41.12 36.23 2k2e n ASP 69 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 2k2e s PRO 70 N -0.91 2.54 -0.02 -0.67 0.02 -1.26 -4.56 135.00 130.14 2k2e s PRO 70 Ca -0.16 -0.85 0.20 0.00 0.02 0.00 0.00 61.00 60.21 2k2e s PRO 70 Cb 0.01 -5.18 -0.28 0.00 0.02 0.00 0.00 34.50 29.07 2k2e s PRO 70 CO 0.61 -3.74 0.57 1.28 -0.33 0.00 0.00 177.00 175.39 2k2e n LEU 71 N 14.15 0.31 0.05 -5.54 4.77 -1.26 -4.59 117.00 124.88 2k2e n LEU 71 Ca 0.43 -0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.22 2k2e n LEU 71 Cb 0.47 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2k2e n LEU 71 CO 0.65 0.08 0.22 0.00 -1.33 0.00 0.00 177.39 177.01 2k2e h ALA 72 N 2.13 -0.47 -3.00 -1.18 0.00 -1.97 -3.47 119.26 111.30 2k2e h ALA 72 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k2e h ALA 72 Cb 0.76 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k2e h ALA 72 CO 0.00 -0.46 0.00 1.19 0.00 0.00 0.00 179.25 179.98 2k2e n PHE 73 N -2.71 0.00 0.00 0.00 3.72 -1.26 -5.13 117.46 112.08 2k2e n PHE 73 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2k2e n PHE 73 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 2k2e n PHE 73 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2k2e n LEU 74 N -0.53 0.00 -4.55 4.37 4.77 -1.26 -5.01 117.00 114.78 2k2e n LEU 74 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 2k2e n LEU 74 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2k2e n LEU 74 CO 0.00 0.00 1.28 -1.81 -1.33 0.00 0.00 177.39 175.53 2k2e s ASP 75 N 0.00 5.96 -0.58 -1.43 1.01 -1.26 -4.96 116.67 115.41 2k2e s ASP 75 Ca 0.00 -0.17 -0.25 0.00 0.71 0.00 0.00 52.55 52.84 2k2e s ASP 75 Cb 0.00 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.42 2k2e s ASP 75 CO 0.00 -1.94 1.01 -1.61 0.21 0.00 0.00 175.17 172.84 2k2e s GLU 76 N 5.99 3.33 0.00 8.23 2.02 -1.26 -4.89 118.70 132.12 2k2e s GLU 76 Ca 0.44 -0.23 0.28 0.00 0.02 0.00 0.00 54.97 55.48 2k2e s GLU 76 Cb -0.09 -4.07 1.00 0.00 0.10 0.00 0.00 34.13 31.06 2k2e s GLU 76 CO 0.18 -1.59 1.72 -0.35 0.02 0.00 0.00 175.26 175.24 2k2e n PRO 77 N 7.77 0.53 0.10 0.39 -0.04 -1.26 -3.89 135.00 138.59 2k2e n PRO 77 Ca 0.02 -0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 63.12 2k2e n PRO 77 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 2k2e n PRO 77 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k2e h GLU 78 N 0.56 -0.20 -4.26 0.54 5.08 -2.03 -3.28 114.58 110.98 2k2e h GLU 78 Ca 0.00 0.01 -0.74 0.00 -1.00 0.00 0.00 59.36 57.64 2k2e h GLU 78 Cb 0.43 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.59 2k2e h GLU 78 CO 0.00 0.02 1.93 0.00 -1.00 0.00 0.00 179.01 179.96 2k2e n ALA 79 N -2.29 4.65 -1.51 3.43 0.00 -1.25 -4.76 120.51 118.78 2k2e n ALA 79 Ca -0.09 -4.19 -0.35 0.00 0.00 0.00 0.00 53.44 48.81 2k2e n ALA 79 Cb 0.18 -3.14 0.07 0.00 0.00 0.00 0.00 19.45 16.56 2k2e n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 80 N 3.69 5.87 3.58 0.00 0.00 -1.24 -4.97 105.19 112.13 2k2e n GLY 80 Ca 0.41 -2.38 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e s ALA 81 N -3.84 2.67 0.00 4.61 0.00 -1.26 -1.59 121.76 122.34 2k2e s ALA 81 Ca 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2k2e s ALA 81 Cb 0.49 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2k2e s ALA 81 CO -0.07 -3.02 0.00 0.41 0.00 0.00 0.00 175.76 173.07 2k2e n GLY 82 N 5.44 1.06 3.66 0.00 0.00 -1.26 -5.12 105.19 108.97 2k2e n GLY 82 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e s ALA 83 N -1.89 3.23 -0.39 4.61 0.00 -0.62 -5.09 121.76 121.60 2k2e s ALA 83 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 2k2e s ALA 83 Cb 0.00 -1.47 0.05 0.00 0.00 0.00 0.00 23.12 21.71 2k2e s ALA 83 CO 0.00 0.55 0.23 0.50 0.00 0.00 0.00 175.76 177.04 2k2e s ARG 84 N -0.76 2.72 0.13 0.00 3.52 -1.26 -4.95 118.95 118.36 2k2e s ARG 84 Ca 0.12 -1.26 -0.11 0.00 -0.13 0.00 0.00 55.73 54.35 2k2e s ARG 84 Cb -0.11 -3.75 -0.08 0.00 -1.56 0.00 0.00 34.95 29.45 2k2e s ARG 84 CO 0.02 -0.82 1.40 -1.35 -0.81 0.00 0.00 175.30 173.74 2k2e h PRO 85 N 8.42 0.81 -1.92 5.12 0.11 -1.98 -3.25 132.00 139.32 2k2e h PRO 85 Ca -0.24 -0.55 -0.16 0.00 0.11 0.00 0.00 66.00 65.16 2k2e h PRO 85 Cb 1.09 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 2k2e h PRO 85 CO 0.71 1.18 -0.00 0.00 -0.21 0.00 0.00 178.00 179.68 2k2e n ALA 86 N -2.57 5.09 -0.17 -0.75 0.00 -1.26 -4.43 120.51 116.42 2k2e n ALA 86 Ca -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2k2e n ALA 86 Cb 0.66 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2k2e n ALA 86 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k2e n ASN 87 N 1.52 0.00 -1.16 0.00 5.15 -1.23 -5.07 115.26 114.48 2k2e n ASN 87 Ca 0.22 0.55 0.12 0.00 -0.60 0.00 0.00 54.58 54.87 2k2e n ASN 87 Cb 0.64 -0.42 -0.07 0.00 -0.53 0.00 0.00 39.78 39.40 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2e n ALA 88 N -1.75 -2.86 -1.72 5.20 0.00 -1.26 -4.93 120.51 113.20 2k2e n ALA 88 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 53.44 53.86 2k2e n ALA 88 Cb 0.00 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.26 2k2e n ALA 88 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2k2e s PRO 89 N -4.18 2.26 -0.17 0.00 0.02 -1.26 -5.02 135.00 126.64 2k2e s PRO 89 Ca 0.00 0.47 0.01 0.00 0.02 0.00 0.00 61.00 61.50 2k2e s PRO 89 Cb 0.00 -1.95 -0.22 0.00 0.02 0.00 0.00 34.50 32.34 2k2e s PRO 89 CO 0.00 -1.46 0.15 0.39 -0.33 0.00 0.00 177.00 175.75 2k2e n GLU 90 N -3.30 0.70 -3.80 5.54 1.02 0.97 -4.08 120.64 117.70 2k2e n GLU 90 Ca 0.07 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 2k2e n GLU 90 Cb 0.57 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 2k2e n GLU 90 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k2e s VAL 91 N -2.54 -0.01 -0.26 2.62 0.11 -1.01 -1.04 120.40 118.26 2k2e s VAL 91 Ca -0.24 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.83 2k2e s VAL 91 Cb 0.08 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.72 2k2e s VAL 91 CO 0.72 0.02 -0.02 -0.22 -3.33 0.00 0.00 175.10 172.26 2k2e s LEU 92 N 0.39 3.34 -0.33 2.54 2.96 0.14 -1.49 118.68 126.23 2k2e s LEU 92 Ca -0.03 -0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 52.93 2k2e s LEU 92 Cb -0.04 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2k2e s LEU 92 CO -0.02 -0.14 0.36 -0.76 -1.32 0.00 0.00 176.35 174.47 2k2e s LEU 93 N 1.38 4.36 -0.26 -0.68 1.43 0.92 -0.54 118.68 125.29 2k2e s LEU 93 Ca 0.01 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 2k2e s LEU 93 Cb -0.17 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2k2e s LEU 93 CO -0.03 -0.31 0.15 -0.69 0.23 0.00 0.00 176.35 175.71 2k2e s VAL 94 N 2.02 5.08 -0.90 -1.59 1.01 0.54 -0.11 120.40 126.46 2k2e s VAL 94 Ca 0.12 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 2k2e s VAL 94 Cb -0.16 -3.39 0.16 0.00 0.00 0.00 0.00 36.38 32.99 2k2e s VAL 94 CO 0.11 0.30 1.00 -0.83 0.00 0.00 0.00 175.10 175.69 2k2e s GLY 95 N 1.50 2.21 -0.58 4.51 0.00 0.13 -0.21 107.32 114.89 2k2e s GLY 95 Ca 0.07 -2.99 0.01 0.00 0.00 0.00 0.00 44.72 41.81 2k2e s GLY 95 CO 0.07 1.73 1.94 2.41 0.00 0.00 0.00 173.10 179.26 2k2e n THR 96 N 4.91 3.42 -1.43 0.90 -1.04 0.11 -2.31 114.28 118.83 2k2e n THR 96 Ca 0.21 -2.72 -0.40 0.00 -2.04 0.00 0.00 64.05 59.10 2k2e n THR 96 Cb 0.48 -0.94 -0.02 0.00 -1.82 0.00 0.00 70.33 68.03 2k2e n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k2e n GLY 97 N -0.98 4.27 1.95 3.41 0.00 -1.24 -3.18 105.19 109.42 2k2e n GLY 97 Ca 0.60 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2k2e n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k2e n ARG 98 N 4.43 0.00 -3.47 1.61 0.63 -1.26 -4.54 116.66 114.06 2k2e n ARG 98 Ca 0.70 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 57.33 2k2e n ARG 98 Cb 0.28 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.07 2k2e n ARG 98 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2k2e s ARG 99 N -2.00 0.56 -0.83 -0.14 3.00 -1.19 -5.08 118.95 113.27 2k2e s ARG 99 Ca 0.00 -1.33 -0.25 0.00 -1.00 0.00 0.00 55.73 53.15 2k2e s ARG 99 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 34.95 33.59 2k2e s ARG 99 CO 0.00 -1.20 1.85 -1.14 0.00 0.00 0.00 175.30 174.80 2k2e s GLN 100 N 1.08 2.70 -0.50 5.12 0.74 -1.22 -4.48 119.66 123.10 2k2e s GLN 100 Ca 0.18 -0.13 -0.28 0.00 0.05 0.00 0.00 55.36 55.17 2k2e s GLN 100 Cb -0.23 -4.87 0.01 0.00 1.10 0.00 0.00 33.01 29.02 2k2e s GLN 100 CO -0.00 -3.04 1.39 -1.58 -0.55 0.00 0.00 175.29 171.51 2k2e s HIS 101 N 9.11 2.37 0.10 1.67 5.65 -1.26 -4.98 115.29 127.96 2k2e s HIS 101 Ca 0.65 0.58 -0.31 0.00 0.25 0.00 0.00 55.06 56.23 2k2e s HIS 101 Cb -0.08 -4.37 -0.09 0.00 -1.18 0.00 0.00 32.58 26.87 2k2e s HIS 101 CO 0.05 -1.91 1.68 -0.51 -0.65 0.00 0.00 174.74 173.39 2k2e s LEU 102 N 5.69 4.37 0.59 8.88 1.43 -1.26 -4.98 118.68 133.40 2k2e s LEU 102 Ca 0.56 2.58 -0.05 0.00 -1.03 0.00 0.00 54.13 56.18 2k2e s LEU 102 Cb -0.11 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.55 2k2e s LEU 102 CO 0.29 -0.90 0.89 -0.76 0.23 0.00 0.00 176.35 176.09 2k2e s LEU 103 N 2.37 3.22 0.22 1.79 1.43 -1.26 -5.09 118.68 121.36 2k2e s LEU 103 Ca 0.75 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.52 2k2e s LEU 103 Cb -0.42 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2k2e s LEU 103 CO 0.33 -1.11 0.15 -0.83 0.23 0.00 0.00 176.35 175.12 2k2e s GLY 104 N -4.33 1.55 0.43 -3.19 0.00 -1.26 -5.02 107.32 95.50 2k2e s GLY 104 Ca 0.54 -1.36 0.11 0.00 0.00 0.00 0.00 44.72 44.01 2k2e s GLY 104 CO 0.44 -1.39 2.02 -2.55 0.00 0.00 0.00 173.10 171.61 2k2e h PRO 105 N 1.92 0.44 0.00 2.90 0.11 -1.99 -0.67 132.00 134.71 2k2e h PRO 105 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2k2e h PRO 105 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k2e h PRO 105 CO 0.61 0.29 -0.03 0.93 -0.21 0.00 0.00 178.00 179.60 2k2e h GLU 106 N 0.46 0.00 0.08 1.05 5.08 -2.00 -1.52 114.58 117.73 2k2e h GLU 106 Ca 0.22 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.26 2k2e h GLU 106 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2k2e h GLU 106 CO -0.06 0.03 -1.73 1.96 -1.00 0.00 0.00 179.01 178.21 2k2e h GLN 107 N 0.00 0.17 0.00 2.33 4.20 -1.52 -3.37 115.11 116.92 2k2e h GLN 107 Ca -0.00 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 2k2e h GLN 107 Cb 0.56 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2k2e h GLN 107 CO 0.00 0.94 -1.31 1.33 -0.67 0.00 0.00 178.83 179.12 2k2e n VAL 108 N -3.33 0.58 -0.04 -0.54 0.24 -1.11 -4.44 118.33 109.70 2k2e n VAL 108 Ca -0.21 -0.57 -0.10 0.00 -2.04 0.00 0.00 64.34 61.43 2k2e n VAL 108 Cb 1.05 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 2k2e n VAL 108 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2k2e h ARG 109 N 0.00 0.18 -0.81 7.34 1.12 -1.43 -0.62 114.38 120.16 2k2e h ARG 109 Ca -0.04 -0.01 0.16 0.00 -1.11 0.00 0.00 59.98 58.98 2k2e h ARG 109 Cb 1.11 -0.04 -0.10 0.00 -0.01 0.00 0.00 29.97 30.93 2k2e h ARG 109 CO 0.01 0.12 0.36 -1.00 -3.11 0.00 0.00 179.97 176.35 2k2e h PRO 110 N 0.19 0.49 -0.04 0.20 0.13 -1.78 0.34 132.00 131.54 2k2e h PRO 110 Ca 0.08 -0.03 -0.22 0.00 -0.87 0.00 0.00 66.00 64.95 2k2e h PRO 110 Cb 0.02 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.05 2k2e h PRO 110 CO -0.06 0.32 -0.89 -0.07 -0.23 0.00 0.00 178.00 177.07 2k2e h LEU 111 N 0.50 0.66 -1.04 1.56 3.38 -1.75 -2.85 115.31 115.78 2k2e h LEU 111 Ca 0.46 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2k2e h LEU 111 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2k2e h LEU 111 CO -0.41 1.28 -0.15 -0.07 0.09 0.00 0.00 178.44 179.18 2k2e h LEU 112 N 0.32 0.50 -1.40 1.67 3.38 -0.15 0.63 115.31 120.26 2k2e h LEU 112 Ca -0.08 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2k2e h LEU 112 Cb 1.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2k2e h LEU 112 CO 0.16 0.68 -0.20 0.00 0.09 0.00 0.00 178.44 179.17 2k2e h ALA 113 N 1.37 1.51 -0.03 1.53 0.00 -0.30 -2.17 119.26 121.17 2k2e h ALA 113 Ca 0.08 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 2k2e h ALA 113 Cb 0.54 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k2e h ALA 113 CO 0.03 0.36 -0.95 0.52 0.00 0.00 0.00 179.25 179.21 2k2e h MET 114 N 0.13 0.60 0.00 0.00 2.86 -1.11 -3.48 114.93 113.94 2k2e h MET 114 Ca 0.02 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 2k2e h MET 114 Cb 0.44 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2k2e h MET 114 CO 0.03 1.22 0.00 0.41 1.06 0.00 0.00 176.91 179.63 2k2e n GLY 115 N 0.95 1.15 3.60 8.32 0.00 0.05 -5.03 105.19 114.22 2k2e n GLY 115 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2k2e n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k2e s VAL 116 N -1.02 3.95 -0.27 1.61 1.01 -0.25 -4.79 120.40 120.64 2k2e s VAL 116 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 2k2e s VAL 116 Cb 0.00 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 2k2e s VAL 116 CO 0.00 -0.84 1.31 -0.83 0.00 0.00 0.00 175.10 174.74 2k2e s GLY 117 N 3.69 1.43 -0.21 4.51 0.00 -0.21 -3.59 107.32 112.94 2k2e s GLY 117 Ca 0.58 0.19 -0.19 0.00 0.00 0.00 0.00 44.72 45.31 2k2e s GLY 117 CO 0.32 2.59 0.53 0.14 0.00 0.00 0.00 173.10 176.68 2k2e s VAL 118 N 4.26 5.09 -0.11 1.40 1.01 -1.26 0.26 120.40 131.04 2k2e s VAL 118 Ca 0.57 0.96 -0.00 0.00 0.00 0.00 0.00 61.98 63.51 2k2e s VAL 118 Cb -0.18 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2k2e s VAL 118 CO 0.22 0.16 -0.08 -1.61 0.00 0.00 0.00 175.10 173.79 2k2e s GLU 119 N 1.76 1.55 -0.25 2.72 2.02 0.30 -4.95 118.70 121.85 2k2e s GLU 119 Ca 0.24 -0.26 -0.09 0.00 0.02 0.00 0.00 54.97 54.87 2k2e s GLU 119 Cb -0.15 -1.60 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 2k2e s GLU 119 CO 0.10 -0.26 0.13 0.00 0.02 0.00 0.00 175.26 175.25 2k2e s ALA 120 N 1.68 3.44 0.06 5.21 0.00 -1.26 -0.34 121.76 130.56 2k2e s ALA 120 Ca 0.05 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2k2e s ALA 120 Cb -0.13 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2k2e s ALA 120 CO -0.08 -0.33 0.05 -1.33 0.00 0.00 0.00 175.76 174.07 2k2e n MET 121 N 4.60 0.08 -2.13 0.00 2.81 0.71 -4.94 117.12 118.25 2k2e n MET 121 Ca -0.15 -0.62 -0.36 0.00 -1.81 0.00 0.00 57.70 54.76 2k2e n MET 121 Cb 0.52 0.51 0.02 0.00 -0.71 0.00 0.00 33.22 33.56 2k2e n MET 121 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k2e s ASP 122 N -1.44 5.44 0.23 7.83 1.11 -1.26 0.06 116.67 128.65 2k2e s ASP 122 Ca 0.07 2.29 -0.06 0.00 0.18 0.00 0.00 52.55 55.03 2k2e s ASP 122 Cb 0.00 -2.59 0.33 0.00 1.07 0.00 0.00 42.92 41.74 2k2e s ASP 122 CO 0.05 -1.42 1.83 0.74 1.18 0.00 0.00 175.17 177.55 2k2e h THR 123 N 1.03 0.98 -0.12 -1.27 2.02 -1.80 0.12 112.91 113.87 2k2e h THR 123 Ca -0.50 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 66.21 2k2e h THR 123 Cb 1.28 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2k2e h THR 123 CO 0.56 0.15 -0.69 -0.61 0.37 0.00 0.00 175.52 175.31 2k2e h GLN 124 N 0.84 0.50 -0.12 6.66 4.15 -1.91 -2.45 115.11 122.77 2k2e h GLN 124 Ca 0.36 -0.38 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2k2e h GLN 124 Cb 0.24 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 2k2e h GLN 124 CO -0.20 1.00 0.01 0.00 -1.93 0.00 0.00 178.83 177.71 2k2e h ALA 125 N 0.90 0.15 -0.56 3.38 0.00 -1.69 -2.57 119.26 118.87 2k2e h ALA 125 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2k2e h ALA 125 Cb 1.26 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2k2e h ALA 125 CO 0.12 -0.17 0.23 0.00 0.00 0.00 0.00 179.25 179.44 2k2e h ALA 126 N 0.76 1.36 -0.86 0.00 0.00 -0.83 -2.25 119.26 117.44 2k2e h ALA 126 Ca 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2k2e h ALA 126 Cb 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2k2e h ALA 126 CO 0.00 0.49 0.43 0.00 0.00 0.00 0.00 179.25 180.17 2k2e h ALA 127 N 1.46 1.10 0.46 0.00 0.00 -1.29 0.10 119.26 121.10 2k2e h ALA 127 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k2e h ALA 127 Cb 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2k2e h ALA 127 CO -0.02 0.65 -0.22 0.00 0.00 0.00 0.00 179.25 179.66 2k2e h ARG 128 N 1.21 -0.60 -0.32 0.00 3.08 -1.02 -2.75 114.38 113.98 2k2e h ARG 128 Ca 0.30 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.40 2k2e h ARG 128 Cb 0.09 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2k2e h ARG 128 CO -0.04 -0.30 0.21 1.15 -1.07 0.00 0.00 179.97 179.92 2k2e h THR 129 N -0.85 1.06 0.37 2.04 2.02 -1.31 -1.58 112.91 114.66 2k2e h THR 129 Ca -0.06 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2k2e h THR 129 Cb 0.57 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2k2e h THR 129 CO 0.10 0.07 -0.22 0.22 0.37 0.00 0.00 175.52 176.07 2k2e h TYR 130 N 0.40 -0.57 -0.39 3.16 3.20 -0.72 -0.13 116.97 121.92 2k2e h TYR 130 Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2k2e h TYR 130 Cb 0.00 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2k2e h TYR 130 CO -0.00 -0.34 0.19 -0.97 -1.64 0.00 0.00 178.16 175.40 2k2e h ASN 131 N -0.56 0.48 0.52 -2.11 -1.24 -1.12 0.19 115.58 111.75 2k2e h ASN 131 Ca -0.04 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 56.91 2k2e h ASN 131 Cb 0.46 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.39 2k2e h ASN 131 CO 0.05 0.42 -0.26 0.40 -1.29 0.00 0.00 177.43 176.74 2k2e h ILE 132 N 0.54 0.46 -0.03 2.57 1.08 -0.88 -1.91 117.51 119.35 2k2e h ILE 132 Ca 0.14 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.48 2k2e h ILE 132 Cb 0.06 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 2k2e h ILE 132 CO -0.02 0.00 -0.60 -0.07 -0.69 0.00 0.00 178.15 176.77 2k2e h LEU 133 N -0.72 0.10 -0.00 1.44 3.38 -0.60 -1.77 115.31 117.15 2k2e h LEU 133 Ca -0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2k2e h LEU 133 Cb 0.56 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2k2e h LEU 133 CO 0.11 0.67 0.00 -0.03 0.09 0.00 0.00 178.44 179.29 2k2e h MET 134 N 0.07 0.00 0.00 1.13 4.05 -0.57 -0.17 114.93 119.43 2k2e h MET 134 Ca -0.01 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2k2e h MET 134 Cb 1.07 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.87 2k2e h MET 134 CO 0.08 0.11 -0.11 0.00 0.23 0.00 0.00 176.91 177.22 2k2e h ALA 135 N 0.89 1.04 0.00 0.39 0.00 -1.26 -1.89 119.26 118.43 2k2e h ALA 135 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k2e h ALA 135 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k2e h ALA 135 CO -0.00 0.13 0.00 1.49 0.00 0.00 0.00 179.25 180.87 2k2e h GLU 136 N 0.00 0.00 -0.12 0.00 4.81 -0.80 -3.46 114.58 115.00 2k2e h GLU 136 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k2e h GLU 136 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2k2e h GLU 136 CO 0.01 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.70 2k2e n GLY 137 N 0.43 0.77 3.75 1.92 0.00 -0.71 -5.07 105.19 106.27 2k2e n GLY 137 Ca 0.03 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 2k2e n GLY 137 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2e s ARG 138 N -3.42 2.88 -1.04 1.61 3.52 -0.12 -5.04 118.95 117.34 2k2e s ARG 138 Ca 0.00 -0.63 -0.22 0.00 -0.13 0.00 0.00 55.73 54.76 2k2e s ARG 138 Cb 0.00 -2.73 0.06 0.00 -1.56 0.00 0.00 34.95 30.72 2k2e s ARG 138 CO 0.00 0.60 1.44 1.03 -0.81 0.00 0.00 175.30 177.56 2k2e s ARG 139 N -1.99 3.64 -0.03 5.12 0.52 -1.26 -4.47 118.95 120.48 2k2e s ARG 139 Ca 0.25 -1.32 0.07 0.00 -0.52 0.00 0.00 55.73 54.21 2k2e s ARG 139 Cb -0.12 -5.32 -0.02 0.00 0.52 0.00 0.00 34.95 30.02 2k2e s ARG 139 CO 0.16 -2.15 -0.25 0.54 0.02 0.00 0.00 175.30 173.62 2k2e s VAL 140 N 4.54 2.03 -0.01 3.52 0.11 -1.26 -0.02 120.40 129.32 2k2e s VAL 140 Ca 0.45 -1.08 0.08 0.00 -2.93 0.00 0.00 61.98 58.49 2k2e s VAL 140 Cb -0.00 -1.70 -0.02 0.00 -1.53 0.00 0.00 36.38 33.13 2k2e s VAL 140 CO -0.08 0.57 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.33 2k2e s VAL 141 N -0.44 1.95 -0.02 2.04 1.01 -0.55 -4.40 120.40 119.99 2k2e s VAL 141 Ca 0.05 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 60.99 2k2e s VAL 141 Cb -0.11 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2k2e s VAL 141 CO 0.01 0.52 -0.20 0.54 0.00 0.00 0.00 175.10 175.96 2k2e s VAL 142 N -0.61 1.62 -0.31 2.92 0.11 -0.87 -0.05 120.40 123.20 2k2e s VAL 142 Ca 0.10 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 2k2e s VAL 142 Cb -0.10 -1.35 0.08 0.00 -1.53 0.00 0.00 36.38 33.49 2k2e s VAL 142 CO -0.01 0.46 -0.01 0.00 -3.33 0.00 0.00 175.10 172.21 2k2e s ALA 143 N -0.37 2.78 -0.26 1.54 0.00 0.85 -0.94 121.76 125.35 2k2e s ALA 143 Ca 0.05 -2.23 -0.10 0.00 0.00 0.00 0.00 51.96 49.68 2k2e s ALA 143 Cb -0.09 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 2k2e s ALA 143 CO 0.00 -1.50 0.16 -0.51 0.00 0.00 0.00 175.76 173.92 2k2e s LEU 144 N 0.98 4.01 -0.33 0.00 1.43 0.29 0.23 118.68 125.29 2k2e s LEU 144 Ca 0.03 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2k2e s LEU 144 Cb -0.19 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 43.98 2k2e s LEU 144 CO -0.07 0.01 0.07 -0.22 0.23 0.00 0.00 176.35 176.37 2k2e s LEU 145 N 1.39 4.23 0.00 1.79 0.20 -0.98 -1.57 118.68 123.74 2k2e s LEU 145 Ca 0.07 -1.28 0.00 0.00 0.69 0.00 0.00 54.13 53.61 2k2e s LEU 145 Cb -0.15 -1.80 0.00 0.00 -0.43 0.00 0.00 46.19 43.81 2k2e s LEU 145 CO 0.07 -0.32 0.00 -2.65 -0.29 0.00 0.00 176.35 173.16 2k2e n PRO 146 N 4.71 1.43 -0.08 0.98 -0.02 -1.26 -4.55 135.00 136.21 2k2e n PRO 146 Ca -0.12 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.25 2k2e n PRO 146 Cb 0.44 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.85 2k2e n PRO 146 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2k2e h ASP 147 N 0.00 0.00 0.00 2.55 3.04 -1.82 -3.47 116.42 116.71 2k2e h ASP 147 Ca 0.00 -0.32 0.00 0.00 -3.24 0.00 0.00 57.03 53.47 2k2e h ASP 147 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k2e h ASP 147 CO 0.00 1.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.81 2k2e n GLY 148 N 1.58 -0.01 1.29 7.15 0.00 -1.26 -4.81 105.19 109.13 2k2e n GLY 148 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2k2e n GLY 148 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2e n ASP 149 N 0.00 -1.71 -4.56 1.61 -0.08 -1.16 -4.98 116.55 105.66 2k2e n ASP 149 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 2k2e n ASP 149 Cb 0.00 -0.67 -0.08 0.00 2.34 0.00 0.00 41.12 42.71 2k2e n ASP 149 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2k2e s SER 150 N -2.38 6.32 0.21 1.67 0.01 -1.26 -4.98 113.70 113.30 2k2e s SER 150 Ca 0.00 0.00 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 2k2e s SER 150 Cb 0.00 -2.27 -0.09 0.00 0.21 0.00 0.00 66.02 63.87 2k2e s SER 150 CO 0.00 -0.47 0.89 -0.76 0.41 0.00 0.00 173.24 173.31 2k2e s LEU 151 N 2.39 4.63 0.23 2.44 1.43 -1.26 -4.95 118.68 123.59 2k2e s LEU 151 Ca 0.19 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.85 2k2e s LEU 151 Cb -0.15 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 2k2e s LEU 151 CO 0.13 0.17 1.27 -1.61 0.23 0.00 0.00 176.35 176.54 2k2e s GLU 152 N -1.13 4.42 0.23 1.70 2.02 -1.26 -5.03 118.70 119.65 2k2e s GLU 152 Ca 0.40 2.04 0.11 0.00 0.02 0.00 0.00 54.97 57.54 2k2e s GLU 152 Cb -0.25 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 2k2e s GLU 152 CO 0.30 -0.17 -0.21 -1.01 0.02 0.00 0.00 175.26 174.19 2k2e s HIS 153 N -0.27 2.24 -0.36 1.61 3.76 -1.26 -5.03 115.29 115.99 2k2e s HIS 153 Ca 0.53 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 55.13 2k2e s HIS 153 Cb -0.36 -1.04 0.44 0.00 1.11 0.00 0.00 32.58 32.73 2k2e s HIS 153 CO 0.41 0.59 1.47 0.72 -0.85 0.00 0.00 174.74 177.08 2k2e n HIS 154 N -0.18 1.70 -3.83 1.40 -0.00 -1.26 -4.64 115.22 108.41 2k2e n HIS 154 Ca -0.09 -1.05 -0.30 0.00 -0.00 0.00 0.00 57.72 56.28 2k2e n HIS 154 Cb 0.58 -0.58 -0.15 0.00 -0.00 0.00 0.00 29.99 29.84 2k2e n HIS 154 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k2e s HIS 155 N -2.04 2.08 -0.93 4.41 3.76 -1.26 -5.08 115.29 116.23 2k2e s HIS 155 Ca 0.34 -1.79 -0.23 0.00 -0.15 0.00 0.00 55.06 53.23 2k2e s HIS 155 Cb 0.28 -1.75 0.06 0.00 1.11 0.00 0.00 32.58 32.28 2k2e s HIS 155 CO 0.08 -0.82 1.35 -1.58 -0.85 0.00 0.00 174.74 172.92 2k2e s HIS 156 N 1.49 2.56 -0.08 1.40 2.46 -1.26 -4.93 115.29 116.93 2k2e s HIS 156 Ca 0.04 -0.73 -0.05 0.00 0.47 0.00 0.00 55.06 54.79 2k2e s HIS 156 Cb -0.18 -4.61 0.03 0.00 -0.13 0.00 0.00 32.58 27.69 2k2e s HIS 156 CO -0.15 -1.90 0.18 -1.01 -2.47 0.00 0.00 174.74 169.39 2k2e s HIS 157 N 4.80 -0.22 -2.21 3.88 3.76 -1.26 -5.25 115.29 118.78 2k2e s HIS 157 Ca 0.41 0.56 0.18 0.00 -0.15 0.00 0.00 55.06 56.06 2k2e s HIS 157 Cb -0.03 0.00 0.14 0.00 1.11 0.00 0.00 32.58 33.80 2k2e s HIS 157 CO -0.04 -0.16 1.06 -2.39 -0.85 0.00 0.00 174.74 172.36