#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2e s LYS 2 N 0.00 0.70 0.22 0.03 1.02 -1.26 -5.17 119.74 115.28 2k2e s LYS 2 Ca 0.00 -1.03 0.05 0.00 0.02 0.00 0.00 55.97 55.01 2k2e s LYS 2 Cb 0.00 0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.54 2k2e s LYS 2 CO 0.00 -0.18 0.31 -0.51 -0.92 0.00 0.00 175.35 174.05 2k2e s LEU 3 N -2.74 4.22 0.17 3.17 1.43 -1.26 -5.02 118.68 118.65 2k2e s LEU 3 Ca 0.04 0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2k2e s LEU 3 Cb 0.05 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.52 2k2e s LEU 3 CO -0.09 -0.03 1.40 -0.74 0.23 0.00 0.00 176.35 177.11 2k2e h HIS 4 N 1.48 0.51 -3.18 0.29 -0.00 -2.10 -3.45 115.15 108.71 2k2e h HIS 4 Ca -0.51 -0.25 -0.63 0.00 -0.00 0.00 0.00 60.37 58.98 2k2e h HIS 4 Cb 1.22 -0.07 -0.10 0.00 -0.00 0.00 0.00 27.41 28.46 2k2e h HIS 4 CO 0.49 1.02 -0.62 0.95 -0.00 0.00 0.00 177.93 179.77 2k2e s THR 5 N -3.48 4.28 -0.40 6.26 -4.23 -1.26 -5.09 115.64 111.72 2k2e s THR 5 Ca -0.05 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 59.49 2k2e s THR 5 Cb 0.10 -3.07 0.10 0.00 1.34 0.00 0.00 72.50 70.97 2k2e s THR 5 CO 0.84 0.08 0.20 -1.81 -0.54 0.00 0.00 174.62 173.40 2k2e s ASP 6 N -2.47 5.32 0.10 3.99 1.01 -1.26 -5.00 116.67 118.36 2k2e s ASP 6 Ca 0.28 -1.83 -0.33 0.00 0.71 0.00 0.00 52.55 51.38 2k2e s ASP 6 Cb -0.12 -1.86 -0.14 0.00 1.01 0.00 0.00 42.92 41.82 2k2e s ASP 6 CO 0.20 -0.52 1.58 -0.65 0.21 0.00 0.00 175.17 175.99 2k2e h PRO 7 N 8.15 -0.79 -4.41 8.23 0.11 -2.01 -3.36 132.00 137.93 2k2e h PRO 7 Ca -0.17 0.05 -0.66 0.00 0.11 0.00 0.00 66.00 65.34 2k2e h PRO 7 Cb 1.06 0.18 -0.39 0.00 0.11 0.00 0.00 31.00 31.95 2k2e h PRO 7 CO 0.70 -0.52 -0.67 0.00 -0.21 0.00 0.00 178.00 177.30 2k2e s ALA 8 N -5.89 3.03 0.23 -0.75 0.00 -1.26 -4.78 121.76 112.34 2k2e s ALA 8 Ca -0.17 -2.69 -0.05 0.00 0.00 0.00 0.00 51.96 49.05 2k2e s ALA 8 Cb 0.06 -2.09 0.23 0.00 0.00 0.00 0.00 23.12 21.32 2k2e s ALA 8 CO 0.62 -1.78 1.74 1.79 0.00 0.00 0.00 175.76 178.13 2k2e h THR 9 N 6.34 1.25 -3.79 0.00 1.35 -1.88 -3.45 112.91 112.73 2k2e h THR 9 Ca -0.06 -0.98 -0.36 0.00 -0.55 0.00 0.00 66.41 64.47 2k2e h THR 9 Cb 1.00 0.68 -0.14 0.00 -1.73 0.00 0.00 68.15 67.96 2k2e h THR 9 CO 0.58 0.36 -0.61 0.00 -0.25 0.00 0.00 175.52 175.61 2k2e s ALA 10 N -5.17 1.77 -0.32 6.62 0.00 -1.26 -5.13 121.76 118.26 2k2e s ALA 10 Ca -0.11 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.02 2k2e s ALA 10 Cb 0.15 1.06 0.10 0.00 0.00 0.00 0.00 23.12 24.43 2k2e s ALA 10 CO 0.83 -0.47 0.09 -1.17 0.00 0.00 0.00 175.76 175.04 2k2e s LEU 11 N -3.32 3.00 -0.42 0.00 2.96 -1.26 -4.62 118.68 115.01 2k2e s LEU 11 Ca 0.37 -1.81 -0.28 0.00 -0.22 0.00 0.00 54.13 52.19 2k2e s LEU 11 Cb 0.07 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 2k2e s LEU 11 CO 0.14 -0.40 1.78 0.20 -1.32 0.00 0.00 176.35 176.75 2k2e s ASN 12 N 1.38 5.75 -0.02 3.68 0.01 -1.26 -4.90 114.94 119.59 2k2e s ASN 12 Ca 0.10 0.98 0.02 0.00 -0.71 0.00 0.00 52.86 53.25 2k2e s ASN 12 Cb -0.18 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.96 2k2e s ASN 12 CO -0.20 -1.88 -0.08 -0.89 -1.51 0.00 0.00 177.10 172.55 2k2e s THR 13 N 7.39 0.68 -0.16 1.60 2.01 -1.26 -4.51 115.64 121.39 2k2e s THR 13 Ca 0.74 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 62.15 2k2e s THR 13 Cb -0.19 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 2k2e s THR 13 CO 0.30 0.22 1.39 -0.69 -0.69 0.00 0.00 174.62 175.14 2k2e s VAL 14 N 0.25 4.06 0.00 3.82 1.01 -1.26 -0.55 120.40 127.72 2k2e s VAL 14 Ca -0.03 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2k2e s VAL 14 Cb -0.08 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2k2e s VAL 14 CO 0.00 -0.18 0.00 0.35 0.00 0.00 0.00 175.10 175.27 2k2e n THR 15 N 5.60 0.00 -3.00 3.92 -2.24 0.33 -4.81 114.28 114.09 2k2e n THR 15 Ca 0.15 0.24 -0.44 0.00 -2.27 0.00 0.00 64.05 61.73 2k2e n THR 15 Cb 0.45 -1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 67.57 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 -3.85 3.32 -0.35 6.98 0.00 -1.24 -5.00 121.76 121.61 2k2e s ALA 16 Ca 0.00 -2.20 -0.24 0.00 0.00 0.00 0.00 51.96 49.52 2k2e s ALA 16 Cb 0.00 -3.73 0.01 0.00 0.00 0.00 0.00 23.12 19.40 2k2e s ALA 16 CO 0.00 -2.60 0.83 -0.47 0.00 0.00 0.00 175.76 173.52 2k2e s TYR 17 N 3.13 3.12 0.32 0.00 5.04 -1.26 -2.27 117.35 125.42 2k2e s TYR 17 Ca 0.19 0.68 0.05 0.00 -2.44 0.00 0.00 57.07 55.55 2k2e s TYR 17 Cb -0.18 -3.44 -0.06 0.00 0.35 0.00 0.00 41.96 38.63 2k2e s TYR 17 CO 0.05 -0.73 0.02 0.20 -1.34 0.00 0.00 175.55 173.76 2k2e s GLY 18 N 1.80 2.03 0.34 8.97 0.00 -0.91 -5.03 107.32 114.53 2k2e s GLY 18 Ca 0.34 -2.03 0.21 0.00 0.00 0.00 0.00 44.72 43.23 2k2e s GLY 18 CO 0.16 -1.84 1.43 -0.55 0.00 0.00 0.00 173.10 172.30 2k2e h ASP 19 N 2.14 0.00 0.17 1.64 5.19 -1.99 -3.34 116.42 120.23 2k2e h ASP 19 Ca -0.41 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.65 2k2e h ASP 19 Cb 1.24 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 2k2e h ASP 19 CO 0.70 0.14 -2.02 0.61 -3.12 0.00 0.00 179.24 175.55 2k2e n GLY 20 N 1.16 -0.61 3.05 2.75 0.00 -1.26 -4.27 105.19 106.00 2k2e n GLY 20 Ca 0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.56 0.38 -0.26 1.61 -0.85 -1.25 -4.80 117.35 109.61 2k2e s TYR 21 Ca -0.21 -0.79 -0.02 0.00 -0.52 0.00 0.00 57.07 55.53 2k2e s TYR 21 Cb 0.07 -0.28 0.03 0.00 0.38 0.00 0.00 41.96 42.16 2k2e s TYR 21 CO 0.76 -0.31 -0.04 0.42 -1.52 0.00 0.00 175.55 174.86 2k2e s ILE 22 N -2.83 2.98 -0.33 -3.49 1.01 -1.03 -2.13 121.20 115.37 2k2e s ILE 22 Ca -0.03 -1.07 -0.13 0.00 0.00 0.00 0.00 60.65 59.42 2k2e s ILE 22 Cb 0.00 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 2k2e s ILE 22 CO -0.06 0.13 0.26 -0.70 0.00 0.00 0.00 174.94 174.57 2k2e s GLU 23 N 1.32 3.59 -0.18 2.79 2.12 -0.96 -1.01 118.70 126.37 2k2e s GLU 23 Ca -0.01 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 2k2e s GLU 23 Cb -0.17 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.44 2k2e s GLU 23 CO -0.03 -0.41 -0.13 0.08 -0.54 0.00 0.00 175.26 174.22 2k2e s VAL 24 N 1.80 2.70 -1.75 3.70 1.01 0.65 -0.51 120.40 128.00 2k2e s VAL 24 Ca 0.08 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2k2e s VAL 24 Cb -0.17 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2k2e s VAL 24 CO 0.11 0.49 0.12 0.59 0.00 0.00 0.00 175.10 176.41 2k2e n ASN 25 N 4.47 -6.00 -0.32 3.32 3.02 0.28 -0.61 115.26 119.43 2k2e n ASN 25 Ca -0.19 -0.07 -0.04 0.00 -0.03 0.00 0.00 54.58 54.24 2k2e n ASN 25 Cb 0.51 -4.96 -0.02 0.00 -0.61 0.00 0.00 39.78 34.70 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 -3.22 -0.78 -3.68 3.52 6.02 -1.26 -5.00 117.38 112.98 2k2e n GLN 26 Ca -0.22 0.49 -0.38 0.00 -0.01 0.00 0.00 57.00 56.88 2k2e n GLN 26 Cb 0.68 -4.26 -0.12 0.00 1.02 0.00 0.00 30.24 27.56 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 -1.91 4.53 -0.32 5.09 1.01 0.22 -5.07 120.40 123.94 2k2e s VAL 27 Ca 0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2k2e s VAL 27 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 2k2e s VAL 27 CO 0.00 0.14 0.51 -0.13 0.00 0.00 0.00 175.10 175.62 2k2e s ARG 28 N 1.61 3.76 -0.06 2.72 0.52 -1.26 -0.25 118.95 125.99 2k2e s ARG 28 Ca 0.05 -0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2k2e s ARG 28 Cb -0.17 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 2k2e s ARG 28 CO 0.06 -0.55 0.12 -0.06 0.02 0.00 0.00 175.30 174.88 2k2e s PHE 29 N 2.37 3.45 -1.99 -0.53 0.08 -0.18 -4.95 117.98 116.23 2k2e s PHE 29 Ca 0.19 0.35 0.17 0.00 0.12 0.00 0.00 56.93 57.76 2k2e s PHE 29 Cb -0.15 -1.84 0.17 0.00 -0.57 0.00 0.00 43.02 40.63 2k2e s PHE 29 CO 0.12 0.63 1.07 -1.13 -0.10 0.00 0.00 175.22 175.81 2k2e n SER 30 N 1.51 2.52 -4.41 1.36 3.41 -1.26 -2.47 113.62 114.28 2k2e n SER 30 Ca -0.16 -1.73 -0.21 0.00 -0.26 0.00 0.00 58.87 56.51 2k2e n SER 30 Cb 0.54 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 2k2e n SER 30 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2k2e s HIS 31 N -1.34 1.90 0.46 7.33 -3.43 -1.26 -4.88 115.29 114.07 2k2e s HIS 31 Ca 0.21 -1.01 -0.25 0.00 -0.80 0.00 0.00 55.06 53.21 2k2e s HIS 31 Cb 0.14 -1.23 -0.08 0.00 -1.43 0.00 0.00 32.58 29.98 2k2e s HIS 31 CO 0.21 -0.06 1.43 0.00 -2.00 0.00 0.00 174.74 174.32 2k2e s ALA 32 N -3.35 3.21 -0.02 -1.38 0.00 -1.22 -4.77 121.76 114.23 2k2e s ALA 32 Ca 0.36 1.46 -0.04 0.00 0.00 0.00 0.00 51.96 53.74 2k2e s ALA 32 Cb 0.08 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2k2e s ALA 32 CO 0.15 -1.22 0.09 0.96 0.00 0.00 0.00 175.76 175.75 2k2e s ILE 33 N -1.21 0.04 -0.12 0.00 -4.36 -1.02 -1.48 121.20 113.06 2k2e s ILE 33 Ca 0.62 -0.35 -0.00 0.00 -0.26 0.00 0.00 60.65 60.66 2k2e s ILE 33 Cb -0.44 -0.25 0.02 0.00 1.25 0.00 0.00 42.46 43.04 2k2e s ILE 33 CO 0.56 -0.19 -0.09 0.00 0.24 0.00 0.00 174.94 175.46 2k2e s ALA 34 N -0.61 1.46 0.10 2.27 0.00 -0.37 -0.72 121.76 123.90 2k2e s ALA 34 Ca -0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 2k2e s ALA 34 Cb -0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2k2e s ALA 34 CO 0.00 -0.41 0.12 -0.59 0.00 0.00 0.00 175.76 174.89 2k2e s PHE 35 N 1.65 0.45 0.04 0.00 -0.71 -0.07 0.26 117.98 119.60 2k2e s PHE 35 Ca 0.05 -0.88 0.01 0.00 -1.04 0.00 0.00 56.93 55.07 2k2e s PHE 35 Cb -0.13 -0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.42 2k2e s PHE 35 CO -0.09 -0.53 -0.05 0.00 -1.34 0.00 0.00 175.22 173.21 2k2e s ALA 36 N -3.94 0.44 0.19 1.99 0.00 -1.21 -0.86 121.76 118.37 2k2e s ALA 36 Ca 0.12 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 2k2e s ALA 36 Cb 0.06 0.11 0.16 0.00 0.00 0.00 0.00 23.12 23.45 2k2e s ALA 36 CO -0.06 -0.12 1.80 -1.00 0.00 0.00 0.00 175.76 176.38 2k2e h PRO 37 N 4.28 0.57 -0.75 0.00 0.13 -1.79 -2.08 132.00 132.35 2k2e h PRO 37 Ca -0.34 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.60 2k2e h PRO 37 Cb 1.20 -0.13 -0.09 0.00 0.13 0.00 0.00 31.00 32.11 2k2e h PRO 37 CO 0.45 0.38 0.19 0.39 -0.23 0.00 0.00 178.00 179.19 2k2e n GLU 38 N -4.83 3.68 -2.19 0.86 1.02 -1.26 -3.99 120.64 113.93 2k2e n GLU 38 Ca 0.05 -2.75 -0.02 0.00 -0.02 0.00 0.00 57.16 54.43 2k2e n GLU 38 Cb 0.13 -2.14 -0.01 0.00 -0.02 0.00 0.00 31.44 29.41 2k2e n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k2e n GLY 39 N 0.05 3.94 0.00 0.62 0.00 -0.78 -5.00 105.19 104.03 2k2e n GLY 39 Ca 0.34 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.06 0.75 -3.95 1.61 -0.04 -1.26 -4.60 135.00 127.44 2k2e n PRO 40 Ca 0.01 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 2k2e n PRO 40 Cb 0.05 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.37 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 0.17 2.99 -0.22 0.52 1.01 -1.26 -3.36 120.40 120.25 2k2e s VAL 41 Ca 0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 2k2e s VAL 41 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2k2e s VAL 41 CO 0.00 0.33 0.51 0.00 0.00 0.00 0.00 175.10 175.94 2k2e s ALA 42 N 1.39 3.56 -0.37 5.51 0.00 0.14 -4.95 121.76 127.03 2k2e s ALA 42 Ca 0.03 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 2k2e s ALA 42 Cb -0.15 -2.82 0.01 0.00 0.00 0.00 0.00 23.12 20.16 2k2e s ALA 42 CO -0.05 -0.51 1.24 0.45 0.00 0.00 0.00 175.76 176.89 2k2e s SER 43 N 1.24 6.65 -0.30 0.00 0.15 -1.26 -1.23 113.70 118.94 2k2e s SER 43 Ca 0.23 0.92 -0.13 0.00 0.70 0.00 0.00 55.95 57.67 2k2e s SER 43 Cb -0.15 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 2k2e s SER 43 CO 0.09 -1.15 0.29 0.26 1.20 0.00 0.00 173.24 173.93 2k2e s TRP 44 N 4.46 3.22 -0.44 3.44 0.52 -0.55 -4.94 118.94 124.65 2k2e s TRP 44 Ca 0.53 0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.76 2k2e s TRP 44 Cb -0.13 -2.52 0.11 0.00 -1.15 0.00 0.00 33.47 29.78 2k2e s TRP 44 CO 0.26 -0.28 0.93 -0.35 0.02 0.00 0.00 176.95 177.52 2k2e n PRO 45 N 5.22 1.35 -2.97 4.98 -0.04 -1.26 -3.45 135.00 138.84 2k2e n PRO 45 Ca -0.11 -0.44 -0.41 0.00 -0.04 0.00 0.00 63.50 62.50 2k2e n PRO 45 Cb 0.51 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.82 4.91 -0.15 0.52 1.01 -1.26 -4.93 120.40 119.67 2k2e s VAL 46 Ca 0.08 1.46 -0.04 0.00 0.00 0.00 0.00 61.98 63.48 2k2e s VAL 46 Cb 0.06 -4.07 -0.24 0.00 0.00 0.00 0.00 36.38 32.14 2k2e s VAL 46 CO 0.02 0.02 0.22 0.00 0.00 0.00 0.00 175.10 175.36 2k2e n GLN 47 N 5.41 0.73 -4.07 2.72 6.02 -1.26 -4.35 117.38 122.58 2k2e n GLN 47 Ca 0.03 0.23 -0.08 0.00 -0.01 0.00 0.00 57.00 57.17 2k2e n GLN 47 Cb 0.49 -1.66 -0.10 0.00 1.02 0.00 0.00 30.24 29.98 2k2e n GLN 47 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2k2e s ARG 48 N -2.55 0.55 0.11 -1.09 0.52 -1.26 -4.56 118.95 110.67 2k2e s ARG 48 Ca -0.25 -1.07 0.07 0.00 -0.52 0.00 0.00 55.73 53.96 2k2e s ARG 48 Cb 0.07 0.15 0.39 0.00 0.52 0.00 0.00 34.95 36.08 2k2e s ARG 48 CO 0.73 -0.09 1.19 -0.35 0.02 0.00 0.00 175.30 176.80 2k2e n PRO 49 N 0.49 0.05 0.24 3.54 -0.04 -1.26 -0.92 135.00 137.10 2k2e n PRO 49 Ca -0.16 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 2k2e n PRO 49 Cb 0.59 -1.70 0.46 0.00 -0.04 0.00 0.00 33.50 32.82 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e h ALA 50 N 1.84 0.98 -0.00 0.55 0.00 -1.95 -2.95 119.26 117.73 2k2e h ALA 50 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k2e h ALA 50 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k2e h ALA 50 CO 0.00 0.12 -0.16 -0.25 0.00 0.00 0.00 179.25 178.96 2k2e n ASP 51 N -3.19 0.62 -4.69 0.00 8.00 -0.09 -4.87 116.55 112.33 2k2e n ASP 51 Ca 0.01 -0.62 -0.42 0.00 0.71 0.00 0.00 54.79 54.47 2k2e n ASP 51 Cb 0.42 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.51 4.13 0.28 0.53 1.01 -1.12 -5.01 121.20 118.52 2k2e s ILE 52 Ca 0.27 1.47 0.02 0.00 0.00 0.00 0.00 60.65 62.41 2k2e s ILE 52 Cb 0.20 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2k2e s ILE 52 CO 0.50 0.00 0.25 0.28 0.00 0.00 0.00 174.94 175.97 2k2e s THR 53 N 2.19 0.00 0.18 2.92 -1.32 -1.26 -5.04 115.64 113.30 2k2e s THR 53 Ca 0.58 -1.94 -0.13 0.00 -1.21 0.00 0.00 61.69 58.99 2k2e s THR 53 Cb -0.26 -2.50 0.07 0.00 -1.51 0.00 0.00 72.50 68.30 2k2e s THR 53 CO 0.23 0.00 1.79 0.00 -2.21 0.00 0.00 174.62 174.43 2k2e h ALA 54 N 2.32 0.65 -0.64 11.08 0.00 -1.88 -2.18 119.26 128.60 2k2e h ALA 54 Ca -0.29 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.69 2k2e h ALA 54 Cb 1.24 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2k2e h ALA 54 CO 0.43 -0.07 0.34 0.77 0.00 0.00 0.00 179.25 180.72 2k2e h SER 55 N 0.53 0.49 -0.44 0.00 0.02 -1.98 0.12 113.55 112.29 2k2e h SER 55 Ca 0.22 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 2k2e h SER 55 Cb 0.10 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2k2e h SER 55 CO -0.14 0.31 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.62 2k2e h LEU 56 N 0.63 0.95 -0.61 5.07 3.38 -1.86 -2.35 115.31 120.51 2k2e h LEU 56 Ca 0.29 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2k2e h LEU 56 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2k2e h LEU 56 CO -0.20 1.10 0.01 -0.07 0.09 0.00 0.00 178.44 179.38 2k2e h LEU 57 N 0.82 1.05 -0.28 1.67 3.38 -0.74 0.19 115.31 121.40 2k2e h LEU 57 Ca 0.12 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2k2e h LEU 57 Cb 0.73 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2k2e h LEU 57 CO 0.06 1.09 0.16 1.56 0.09 0.00 0.00 178.44 181.40 2k2e h GLN 58 N 0.98 0.39 -0.55 1.13 4.20 -0.88 -1.62 115.11 118.76 2k2e h GLN 58 Ca 0.18 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 2k2e h GLN 58 Cb 0.55 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2k2e h GLN 58 CO 0.03 0.34 0.17 1.96 -0.67 0.00 0.00 178.83 180.65 2k2e h GLN 59 N 0.35 0.82 -0.19 1.46 4.20 -1.20 -1.97 115.11 118.58 2k2e h GLN 59 Ca 0.10 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2k2e h GLN 59 Cb 0.05 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2k2e h GLN 59 CO -0.02 0.71 -0.07 0.00 -0.67 0.00 0.00 178.83 178.78 2k2e h ALA 60 N 1.39 1.53 0.00 3.87 0.00 -0.57 -1.63 119.26 123.85 2k2e h ALA 60 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2e h ALA 60 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k2e h ALA 60 CO -0.01 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2k2e n ALA 61 N -2.49 2.45 0.00 0.00 0.00 -0.64 -4.68 120.51 115.15 2k2e n ALA 61 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k2e n ALA 61 Cb 0.24 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.55 0.25 0.94 0.00 0.00 -0.62 -4.59 105.19 101.72 2k2e n GLY 62 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.64 -0.08 0.99 4.77 -0.86 -3.77 117.00 120.68 2k2e n LEU 63 Ca 0.00 -1.34 -0.11 0.00 -0.03 0.00 0.00 56.01 54.53 2k2e n LEU 63 Cb 0.00 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.49 2k2e n LEU 63 CO 0.00 0.45 -0.26 0.00 -1.33 0.00 0.00 177.39 176.25 2k2e h ALA 64 N 2.04 0.10 -0.00 -1.18 0.00 -1.75 -3.40 119.26 115.06 2k2e h ALA 64 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2k2e h ALA 64 Cb 0.99 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2k2e h ALA 64 CO 0.10 0.43 -0.71 0.39 0.00 0.00 0.00 179.25 179.47 2k2e n GLU 65 N -4.57 0.34 -2.97 0.00 1.02 -1.25 -4.90 120.64 108.31 2k2e n GLU 65 Ca -0.16 -0.26 -0.38 0.00 -0.02 0.00 0.00 57.16 56.34 2k2e n GLU 65 Cb 0.41 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2k2e n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2k2e s VAL 66 N -2.84 4.38 0.25 2.62 1.01 -1.25 -5.00 120.40 119.57 2k2e s VAL 66 Ca 0.13 1.62 -0.31 0.00 0.00 0.00 0.00 61.98 63.41 2k2e s VAL 66 Cb 0.17 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 2k2e s VAL 66 CO 0.74 0.36 1.58 1.33 0.00 0.00 0.00 175.10 179.11 2k2e n VAL 67 N 1.15 0.65 0.12 2.92 0.24 -1.26 -4.90 118.33 117.26 2k2e n VAL 67 Ca -0.03 -0.16 0.11 0.00 -2.04 0.00 0.00 64.34 62.21 2k2e n VAL 67 Cb 0.50 -1.82 0.02 0.00 -1.47 0.00 0.00 33.84 31.07 2k2e n VAL 67 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2k2e h ARG 68 N 5.26 0.00 -3.82 7.34 2.43 -1.94 -3.41 114.38 120.24 2k2e h ARG 68 Ca -0.45 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.03 2k2e h ARG 68 Cb 1.23 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 30.42 2k2e h ARG 68 CO 0.83 0.02 -0.49 -0.51 -1.51 0.00 0.00 179.97 178.32 2k2e s ASP 69 N -5.53 5.01 0.34 -3.80 1.01 -1.26 -4.93 116.67 107.51 2k2e s ASP 69 Ca 0.01 -2.67 0.26 0.00 0.71 0.00 0.00 52.55 50.86 2k2e s ASP 69 Cb 0.09 -1.79 0.90 0.00 1.01 0.00 0.00 42.92 43.13 2k2e s ASP 69 CO 0.77 -0.38 1.77 -0.65 0.21 0.00 0.00 175.17 176.90 2k2e h PRO 70 N 7.17 0.00 -0.52 8.23 0.11 -1.85 -2.77 132.00 142.37 2k2e h PRO 70 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2k2e h PRO 70 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2k2e h PRO 70 CO 0.69 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 2k2e n LEU 71 N -2.60 2.79 -4.94 2.35 4.77 -1.26 -4.80 117.00 113.32 2k2e n LEU 71 Ca 0.03 -1.40 -0.24 0.00 -0.03 0.00 0.00 56.01 54.37 2k2e n LEU 71 Cb 0.36 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k2e n LEU 71 CO 0.27 0.63 0.29 0.00 -1.33 0.00 0.00 177.39 177.25 2k2e s ALA 72 N -1.46 3.62 -0.08 -1.18 0.00 -1.05 -5.01 121.76 116.60 2k2e s ALA 72 Ca 0.33 -0.86 0.13 0.00 0.00 0.00 0.00 51.96 51.56 2k2e s ALA 72 Cb 0.18 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2k2e s ALA 72 CO 0.20 -0.27 1.30 0.74 0.00 0.00 0.00 175.76 177.74 2k2e h PHE 73 N 0.45 0.00 -0.68 0.00 0.04 -1.90 -3.47 116.94 111.39 2k2e h PHE 73 Ca -0.48 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.00 2k2e h PHE 73 Cb 1.23 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.26 2k2e h PHE 73 CO 0.50 0.64 -0.26 1.28 -0.60 0.00 0.00 178.31 179.87 2k2e n LEU 74 N -3.20 -0.77 -1.03 1.54 4.77 -1.26 -1.07 117.00 115.98 2k2e n LEU 74 Ca -0.01 0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 2k2e n LEU 74 Cb 0.81 -2.63 -0.06 0.00 -2.33 0.00 0.00 43.42 39.21 2k2e n LEU 74 CO 0.43 -1.01 -0.13 -0.67 -1.33 0.00 0.00 177.39 174.68 2k2e n ASP 75 N -1.11 -5.09 -4.74 -1.43 2.03 -1.26 -4.98 116.55 99.96 2k2e n ASP 75 Ca -0.14 0.33 -0.36 0.00 0.52 0.00 0.00 54.79 55.14 2k2e n ASP 75 Cb 0.60 -3.77 -0.08 0.00 -0.72 0.00 0.00 41.12 37.15 2k2e n ASP 75 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k2e s GLU 76 N -3.05 3.45 0.20 -0.67 2.02 -0.23 -5.01 118.70 115.40 2k2e s GLU 76 Ca 0.00 -0.28 0.08 0.00 0.02 0.00 0.00 54.97 54.79 2k2e s GLU 76 Cb 0.00 -3.07 0.08 0.00 0.10 0.00 0.00 34.13 31.24 2k2e s GLU 76 CO 0.00 0.60 1.45 -1.00 0.02 0.00 0.00 175.26 176.33 2k2e h PRO 77 N 5.55 0.02 -5.26 0.39 0.13 -1.94 -3.44 132.00 127.46 2k2e h PRO 77 Ca -0.48 -0.03 -0.60 0.00 -0.87 0.00 0.00 66.00 64.02 2k2e h PRO 77 Cb 1.20 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2k2e h PRO 77 CO 0.61 0.81 -0.47 -1.21 -0.23 0.00 0.00 178.00 177.51 2k2e s GLU 78 N -3.19 4.17 0.13 0.86 2.02 -1.26 -5.08 118.70 116.34 2k2e s GLU 78 Ca -0.01 -0.19 0.10 0.00 0.02 0.00 0.00 54.97 54.89 2k2e s GLU 78 Cb 0.11 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 2k2e s GLU 78 CO 0.79 0.24 -0.24 0.00 0.02 0.00 0.00 175.26 176.07 2k2e s ALA 79 N 0.53 2.17 0.00 5.21 0.00 -1.26 -5.07 121.76 123.34 2k2e s ALA 79 Ca 0.09 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2k2e s ALA 79 Cb -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2k2e s ALA 79 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2k2e n GLY 80 N 0.90 -0.38 3.56 0.00 0.00 -1.26 -5.08 105.19 102.93 2k2e n GLY 80 Ca -0.18 0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.00 2.48 0.00 4.61 0.00 -1.26 -4.93 121.76 121.66 2k2e s ALA 81 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2k2e s ALA 81 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.89 2k2e s ALA 81 CO 0.00 -3.47 0.00 0.41 0.00 0.00 0.00 175.76 172.70 2k2e n GLY 82 N 5.52 3.87 3.66 0.00 0.00 -1.26 -5.05 105.19 111.92 2k2e n GLY 82 Ca 0.16 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.38 3.63 0.11 4.61 0.00 -1.26 -5.01 121.76 121.46 2k2e s ALA 83 Ca 0.00 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.64 2k2e s ALA 83 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2k2e s ALA 83 CO 0.00 -1.28 -0.14 -0.98 0.00 0.00 0.00 175.76 173.36 2k2e s ARG 84 N 3.73 0.95 0.47 0.00 1.70 -1.26 -4.73 118.95 119.82 2k2e s ARG 84 Ca 0.62 -1.16 0.20 0.00 -0.47 0.00 0.00 55.73 54.91 2k2e s ARG 84 Cb -0.26 -0.83 1.19 0.00 -0.57 0.00 0.00 34.95 34.48 2k2e s ARG 84 CO 0.20 0.16 1.96 -1.35 -1.08 0.00 0.00 175.30 175.19 2k2e h PRO 85 N 3.70 0.23 0.00 3.89 0.11 -1.95 -0.61 132.00 137.38 2k2e h PRO 85 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2k2e h PRO 85 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2k2e h PRO 85 CO 0.48 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 2k2e n ALA 86 N -2.57 1.83 0.20 -0.75 0.00 -1.26 -2.16 120.51 115.80 2k2e n ALA 86 Ca 0.12 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.65 2k2e n ALA 86 Cb 0.55 -1.34 0.13 0.00 0.00 0.00 0.00 19.45 18.79 2k2e n ALA 86 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2k2e h ASN 87 N 0.00 0.00 -4.01 0.00 2.35 -1.50 -3.46 115.58 108.97 2k2e h ASN 87 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 2k2e h ASN 87 Cb 0.38 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.79 2k2e h ASN 87 CO 0.00 0.06 0.45 0.00 -1.65 0.00 0.00 177.43 176.29 2k2e s ALA 88 N -3.20 2.97 0.99 -0.83 0.00 -0.92 -5.00 121.76 115.77 2k2e s ALA 88 Ca 0.06 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 2k2e s ALA 88 Cb 0.06 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.97 2k2e s ALA 88 CO 0.69 -0.51 0.73 -2.30 0.00 0.00 0.00 175.76 174.37 2k2e n PRO 89 N -0.49 -0.84 -0.03 0.00 -0.02 -1.26 -4.96 135.00 127.40 2k2e n PRO 89 Ca 0.07 -0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.22 2k2e n PRO 89 Cb 0.49 -2.08 -0.11 0.00 -0.02 0.00 0.00 33.50 31.79 2k2e n PRO 89 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k2e h GLU 90 N -1.92 0.02 -3.10 -0.52 4.39 -1.01 -3.42 114.58 109.03 2k2e h GLU 90 Ca -0.47 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.07 2k2e h GLU 90 Cb 1.29 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.72 2k2e h GLU 90 CO 0.39 0.66 -0.35 0.54 -1.16 0.00 0.00 179.01 179.09 2k2e s VAL 91 N -3.64 0.04 -0.09 3.13 0.11 -1.08 -0.70 120.40 118.17 2k2e s VAL 91 Ca -0.17 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 2k2e s VAL 91 Cb 0.00 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 2k2e s VAL 91 CO 0.69 -0.16 -0.23 -1.48 -3.33 0.00 0.00 175.10 170.59 2k2e s LEU 92 N -0.67 2.19 -0.24 2.54 2.34 -0.07 -0.72 118.68 124.04 2k2e s LEU 92 Ca -0.08 -0.50 -0.13 0.00 0.06 0.00 0.00 54.13 53.48 2k2e s LEU 92 Cb -0.04 -1.43 -0.04 0.00 -0.56 0.00 0.00 46.19 44.11 2k2e s LEU 92 CO 0.02 0.19 0.26 -0.76 -1.06 0.00 0.00 176.35 175.01 2k2e s LEU 93 N 0.15 4.10 -0.41 1.48 1.43 0.16 -1.59 118.68 123.99 2k2e s LEU 93 Ca -0.12 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 2k2e s LEU 93 Cb -0.16 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 43.82 2k2e s LEU 93 CO 0.07 -0.03 0.28 -0.69 0.23 0.00 0.00 176.35 176.21 2k2e s VAL 94 N 1.41 5.01 -0.49 -1.59 1.01 0.94 -0.72 120.40 125.97 2k2e s VAL 94 Ca 0.12 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 2k2e s VAL 94 Cb -0.15 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2k2e s VAL 94 CO 0.07 -0.34 0.94 -0.83 0.00 0.00 0.00 175.10 174.94 2k2e s GLY 95 N 1.79 1.45 0.12 4.51 0.00 0.14 -0.85 107.32 114.47 2k2e s GLY 95 Ca 0.04 -0.92 0.18 0.00 0.00 0.00 0.00 44.72 44.01 2k2e s GLY 95 CO 0.08 2.05 1.55 -1.30 0.00 0.00 0.00 173.10 175.49 2k2e n THR 96 N 6.36 0.98 0.00 0.90 -2.24 -0.89 -2.63 114.28 116.76 2k2e n THR 96 Ca 0.05 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 2k2e n THR 96 Cb 0.48 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 2k2e n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k2e n GLY 97 N -0.13 1.74 0.33 3.38 0.00 -1.26 -3.93 105.19 105.33 2k2e n GLY 97 Ca 0.03 0.20 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 2k2e n GLY 97 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k2e h ARG 98 N 0.00 1.14 -1.70 1.61 2.47 -1.89 -3.43 114.38 112.58 2k2e h ARG 98 Ca 0.00 -0.13 0.20 0.00 -1.26 0.00 0.00 59.98 58.78 2k2e h ARG 98 Cb 0.00 -0.22 -0.18 0.00 -1.65 0.00 0.00 29.97 27.91 2k2e h ARG 98 CO 0.00 0.84 0.70 -0.98 0.56 0.00 0.00 179.97 181.09 2k2e s ARG 99 N -5.84 0.47 0.32 0.04 1.70 -1.25 -5.13 118.95 109.25 2k2e s ARG 99 Ca -0.13 -0.14 -0.29 0.00 -0.47 0.00 0.00 55.73 54.70 2k2e s ARG 99 Cb 0.16 0.22 -0.11 0.00 -0.57 0.00 0.00 34.95 34.65 2k2e s ARG 99 CO 0.81 -0.20 1.48 -1.14 -1.08 0.00 0.00 175.30 175.17 2k2e s GLN 100 N -2.46 4.18 0.15 3.89 0.74 -1.26 -4.66 119.66 120.25 2k2e s GLN 100 Ca 0.07 2.46 0.01 0.00 0.05 0.00 0.00 55.36 57.95 2k2e s GLN 100 Cb -0.01 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 2k2e s GLN 100 CO -0.06 -0.48 0.01 -1.01 -0.55 0.00 0.00 175.29 173.20 2k2e s HIS 101 N -0.60 1.09 -0.35 1.67 3.76 -1.26 -5.09 115.29 114.51 2k2e s HIS 101 Ca 0.56 -1.06 -0.09 0.00 -0.15 0.00 0.00 55.06 54.33 2k2e s HIS 101 Cb -0.45 -0.62 0.03 0.00 1.11 0.00 0.00 32.58 32.65 2k2e s HIS 101 CO 0.53 -0.28 0.15 -1.17 -0.85 0.00 0.00 174.74 173.13 2k2e s LEU 102 N -3.13 4.50 0.07 0.89 2.96 -1.26 -4.78 118.68 117.94 2k2e s LEU 102 Ca 0.23 -1.07 -0.30 0.00 -0.22 0.00 0.00 54.13 52.76 2k2e s LEU 102 Cb 0.06 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 2k2e s LEU 102 CO 0.02 -0.35 1.07 -0.76 -1.32 0.00 0.00 176.35 175.02 2k2e s LEU 103 N 1.47 4.41 0.00 -0.68 1.43 -1.26 -5.03 118.68 119.03 2k2e s LEU 103 Ca 0.00 1.89 0.05 0.00 -1.03 0.00 0.00 54.13 55.03 2k2e s LEU 103 Cb -0.19 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.49 2k2e s LEU 103 CO 0.05 -0.29 0.38 0.61 0.23 0.00 0.00 176.35 177.32 2k2e n GLY 104 N 2.73 2.53 0.00 -3.19 0.00 -1.26 -4.84 105.19 101.16 2k2e n GLY 104 Ca 0.06 -2.24 0.06 0.00 0.00 0.00 0.00 46.02 43.90 2k2e n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k2e n PRO 105 N -1.57 0.61 -0.04 1.61 -0.04 -1.26 -1.14 135.00 133.17 2k2e n PRO 105 Ca 0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.46 2k2e n PRO 105 Cb 0.43 -1.31 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 2k2e n PRO 105 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k2e n GLU 106 N -0.81 0.66 -0.12 0.54 4.07 -1.26 -4.06 120.64 119.66 2k2e n GLU 106 Ca 0.09 0.02 -0.25 0.00 -0.06 0.00 0.00 57.16 56.96 2k2e n GLU 106 Cb 0.04 -1.61 -0.10 0.00 -0.06 0.00 0.00 31.44 29.71 2k2e n GLU 106 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2k2e n GLN 107 N -2.69 0.57 -0.13 5.31 6.02 -0.29 -4.47 117.38 121.71 2k2e n GLN 107 Ca -0.19 0.38 0.10 0.00 -0.01 0.00 0.00 57.00 57.28 2k2e n GLN 107 Cb 0.94 -1.59 0.30 0.00 1.02 0.00 0.00 30.24 30.91 2k2e n GLN 107 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2k2e n VAL 108 N -4.34 0.33 0.15 5.09 0.24 -0.55 -3.68 118.33 115.58 2k2e n VAL 108 Ca -0.43 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.34 61.28 2k2e n VAL 108 Cb 0.77 0.44 -0.08 0.00 -1.47 0.00 0.00 33.84 33.51 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 2.61 -0.30 -0.51 7.34 2.43 -1.75 -2.30 114.38 121.89 2k2e h ARG 109 Ca 0.00 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.34 2k2e h ARG 109 Cb 0.58 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2k2e h ARG 109 CO 0.00 -0.20 0.37 -1.35 -1.51 0.00 0.00 179.97 177.28 2k2e h PRO 110 N -0.31 0.00 -0.04 0.20 0.11 -1.89 0.25 132.00 130.31 2k2e h PRO 110 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2k2e h PRO 110 Cb 0.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 2k2e h PRO 110 CO 0.05 0.00 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.72 2k2e h LEU 111 N 0.00 0.10 -1.37 2.35 3.38 -1.76 -2.65 115.31 115.36 2k2e h LEU 111 Ca 0.24 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2k2e h LEU 111 Cb 0.98 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2k2e h LEU 111 CO -0.00 0.58 -0.10 -0.07 0.09 0.00 0.00 178.44 178.94 2k2e h LEU 112 N -0.38 0.28 -1.46 1.67 3.38 -0.67 -0.86 115.31 117.27 2k2e h LEU 112 Ca 0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2k2e h LEU 112 Cb 0.55 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2k2e h LEU 112 CO 0.01 0.42 -0.25 0.00 0.09 0.00 0.00 178.44 178.70 2k2e h ALA 113 N 1.62 1.27 0.06 1.53 0.00 -0.52 -2.89 119.26 120.32 2k2e h ALA 113 Ca 0.06 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 2k2e h ALA 113 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2k2e h ALA 113 CO 0.02 0.32 -1.63 0.52 0.00 0.00 0.00 179.25 178.48 2k2e h MET 114 N 0.00 0.12 0.00 0.00 2.86 -0.92 -3.48 114.93 113.50 2k2e h MET 114 Ca -0.00 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2k2e h MET 114 Cb 0.56 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2k2e h MET 114 CO 0.03 0.86 0.00 0.41 1.06 0.00 0.00 176.91 179.27 2k2e n GLY 115 N 1.64 1.05 3.73 8.32 0.00 -0.43 -4.89 105.19 114.62 2k2e n GLY 115 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.86 5.03 0.22 1.61 1.01 -0.61 -4.98 120.40 120.83 2k2e s VAL 116 Ca 0.00 1.31 -0.26 0.00 0.00 0.00 0.00 61.98 63.03 2k2e s VAL 116 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2k2e s VAL 116 CO 0.00 0.31 0.85 -0.83 0.00 0.00 0.00 175.10 175.42 2k2e s GLY 117 N 0.52 2.92 0.05 4.51 0.00 0.13 -3.75 107.32 111.70 2k2e s GLY 117 Ca 0.34 0.44 0.06 0.00 0.00 0.00 0.00 44.72 45.57 2k2e s GLY 117 CO 0.17 0.94 -0.17 0.54 0.00 0.00 0.00 173.10 174.57 2k2e s VAL 118 N -1.28 1.40 -0.06 1.40 0.11 -1.26 -0.89 120.40 119.82 2k2e s VAL 118 Ca 0.41 -1.12 -0.04 0.00 -2.93 0.00 0.00 61.98 58.29 2k2e s VAL 118 Cb -0.22 -1.24 0.02 0.00 -1.53 0.00 0.00 36.38 33.41 2k2e s VAL 118 CO 0.27 0.09 0.15 -0.70 -3.33 0.00 0.00 175.10 171.57 2k2e s GLU 119 N -1.21 0.14 -0.22 1.54 2.56 -0.62 -4.93 118.70 115.96 2k2e s GLU 119 Ca 0.04 0.26 -0.10 0.00 0.00 0.00 0.00 54.97 55.17 2k2e s GLU 119 Cb -0.08 -0.01 -0.05 0.00 2.00 0.00 0.00 34.13 35.99 2k2e s GLU 119 CO 0.02 -0.07 0.14 0.00 -0.56 0.00 0.00 175.26 174.78 2k2e s ALA 120 N 0.45 3.62 0.11 6.30 0.00 -1.26 -0.04 121.76 130.93 2k2e s ALA 120 Ca -0.03 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.05 2k2e s ALA 120 Cb -0.04 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 2k2e s ALA 120 CO -0.02 -0.01 0.22 1.41 0.00 0.00 0.00 175.76 177.36 2k2e s MET 121 N 0.70 0.95 0.69 0.00 1.75 -0.03 -4.93 119.30 118.45 2k2e s MET 121 Ca 0.07 -1.03 -0.11 0.00 -1.25 0.00 0.00 55.69 53.38 2k2e s MET 121 Cb -0.12 0.35 0.01 0.00 2.84 0.00 0.00 34.83 37.91 2k2e s MET 121 CO 0.01 -0.32 1.06 0.34 -0.65 0.00 0.00 175.02 175.46 2k2e s ASP 122 N -2.90 5.38 0.07 1.11 2.15 -1.26 -2.09 116.67 119.14 2k2e s ASP 122 Ca 0.09 1.62 -0.23 0.00 0.43 0.00 0.00 52.55 54.46 2k2e s ASP 122 Cb 0.04 -2.50 -0.10 0.00 -0.30 0.00 0.00 42.92 40.07 2k2e s ASP 122 CO -0.07 -1.44 1.37 0.74 -0.17 0.00 0.00 175.17 175.59 2k2e h THR 123 N -0.71 0.00 -0.46 1.71 2.02 -1.87 0.20 112.91 113.79 2k2e h THR 123 Ca -0.44 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 2k2e h THR 123 Cb 1.21 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2k2e h THR 123 CO 0.57 0.00 0.17 -0.61 0.37 0.00 0.00 175.52 176.02 2k2e h GLN 124 N -0.48 0.69 -0.88 6.66 4.15 -1.96 -1.93 115.11 121.36 2k2e h GLN 124 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 2k2e h GLN 124 Cb 0.50 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 2k2e h GLN 124 CO -0.22 0.64 0.51 0.00 -1.93 0.00 0.00 178.83 177.83 2k2e h ALA 125 N 1.02 1.24 -0.47 3.38 0.00 -1.90 -0.83 119.26 121.71 2k2e h ALA 125 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k2e h ALA 125 Cb 0.21 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2k2e h ALA 125 CO -0.01 0.63 0.16 0.00 0.00 0.00 0.00 179.25 180.03 2k2e h ALA 126 N 1.34 0.61 -0.94 0.00 0.00 -0.28 -1.05 119.26 118.94 2k2e h ALA 126 Ca 0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k2e h ALA 126 Cb -0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2k2e h ALA 126 CO -0.06 0.25 0.59 0.00 0.00 0.00 0.00 179.25 180.03 2k2e h ALA 127 N 1.01 1.26 0.59 0.00 0.00 -0.87 0.12 119.26 121.36 2k2e h ALA 127 Ca 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2k2e h ALA 127 Cb 0.25 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k2e h ALA 127 CO -0.01 0.65 -0.28 -0.09 0.00 0.00 0.00 179.25 179.52 2k2e h ARG 128 N 1.29 -0.76 -0.79 0.00 2.43 -0.81 -1.67 114.38 114.07 2k2e h ARG 128 Ca 0.34 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2k2e h ARG 128 Cb -0.09 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2k2e h ARG 128 CO -0.07 -0.50 0.49 1.15 -1.51 0.00 0.00 179.97 179.53 2k2e h THR 129 N -0.80 1.21 -0.04 0.20 2.02 -0.92 -1.88 112.91 112.70 2k2e h THR 129 Ca -0.08 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2k2e h THR 129 Cb 0.61 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2k2e h THR 129 CO 0.13 0.22 0.03 0.22 0.37 0.00 0.00 175.52 176.49 2k2e h TYR 130 N 1.08 0.05 -0.86 3.16 3.20 -0.65 -0.96 116.97 121.99 2k2e h TYR 130 Ca 0.28 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 2k2e h TYR 130 Cb -0.07 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2k2e h TYR 130 CO 0.00 0.04 0.50 -0.97 -1.64 0.00 0.00 178.16 176.10 2k2e h ASN 131 N 0.04 1.05 0.64 -2.11 -1.24 -0.83 0.58 115.58 113.70 2k2e h ASN 131 Ca 0.01 -0.08 -0.03 0.00 0.71 0.00 0.00 56.30 56.91 2k2e h ASN 131 Cb 0.01 -0.26 0.01 0.00 0.73 0.00 0.00 38.32 38.80 2k2e h ASN 131 CO -0.00 0.82 -0.31 0.40 -1.29 0.00 0.00 177.43 177.05 2k2e h ILE 132 N 1.18 0.37 -0.13 2.57 2.04 -1.12 -1.40 117.51 121.02 2k2e h ILE 132 Ca 0.31 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 66.08 2k2e h ILE 132 Cb -0.02 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2k2e h ILE 132 CO -0.05 0.01 -0.11 -0.07 0.00 0.00 0.00 178.15 177.92 2k2e h LEU 133 N -0.88 0.19 -0.56 1.44 3.38 -0.98 0.56 115.31 118.45 2k2e h LEU 133 Ca -0.09 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2k2e h LEU 133 Cb 0.66 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2k2e h LEU 133 CO 0.14 0.32 -0.00 -0.03 0.09 0.00 0.00 178.44 178.97 2k2e h MET 134 N 0.19 1.00 -0.18 1.13 4.05 -0.75 -0.41 114.93 119.97 2k2e h MET 134 Ca 0.04 -0.32 -0.15 0.00 -0.28 0.00 0.00 59.70 58.99 2k2e h MET 134 Cb 0.32 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 2k2e h MET 134 CO 0.02 1.00 -0.51 0.00 0.23 0.00 0.00 176.91 177.65 2k2e h ALA 135 N 0.97 0.78 0.00 0.39 0.00 -0.37 -2.74 119.26 118.29 2k2e h ALA 135 Ca 0.16 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2k2e h ALA 135 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k2e h ALA 135 CO 0.03 0.68 -0.08 0.93 0.00 0.00 0.00 179.25 180.80 2k2e h GLU 136 N 0.39 0.00 -0.07 0.00 4.39 -0.66 -3.46 114.58 115.17 2k2e h GLU 136 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2k2e h GLU 136 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2k2e h GLU 136 CO 0.09 0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.43 2k2e n GLY 137 N -1.28 1.42 3.62 -3.84 0.00 -0.66 -5.08 105.19 99.36 2k2e n GLY 137 Ca -0.03 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.65 3.30 -0.65 1.61 3.52 -0.25 -5.04 118.95 119.78 2k2e s ARG 138 Ca 0.00 -0.44 -0.26 0.00 -0.13 0.00 0.00 55.73 54.90 2k2e s ARG 138 Cb 0.00 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2k2e s ARG 138 CO 0.00 0.51 2.01 1.03 -0.81 0.00 0.00 175.30 178.04 2k2e s ARG 139 N -0.36 2.45 -0.02 5.12 0.52 -1.26 -4.39 118.95 121.01 2k2e s ARG 139 Ca 0.07 0.59 0.06 0.00 -0.52 0.00 0.00 55.73 55.93 2k2e s ARG 139 Cb -0.12 -4.57 -0.01 0.00 0.52 0.00 0.00 34.95 30.76 2k2e s ARG 139 CO 0.02 -3.05 -0.21 0.54 0.02 0.00 0.00 175.30 172.62 2k2e s VAL 140 N 10.18 1.66 0.10 3.52 0.11 -1.26 -0.27 120.40 134.44 2k2e s VAL 140 Ca 0.75 -0.89 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 2k2e s VAL 140 Cb -0.12 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 2k2e s VAL 140 CO 0.17 0.47 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.71 2k2e s VAL 141 N -0.42 3.91 -0.04 2.04 1.01 0.10 -4.20 120.40 122.80 2k2e s VAL 141 Ca 0.06 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2k2e s VAL 141 Cb -0.09 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.44 2k2e s VAL 141 CO -0.00 0.10 -0.05 0.54 0.00 0.00 0.00 175.10 175.68 2k2e s VAL 142 N -1.34 0.59 -0.19 2.92 0.11 -0.04 0.36 120.40 122.82 2k2e s VAL 142 Ca 0.25 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2k2e s VAL 142 Cb -0.11 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 2k2e s VAL 142 CO 0.18 0.23 -0.13 0.00 -3.33 0.00 0.00 175.10 172.04 2k2e s ALA 143 N 0.75 2.54 -0.13 1.54 0.00 0.10 -0.90 121.76 125.67 2k2e s ALA 143 Ca -0.11 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.69 2k2e s ALA 143 Cb -0.13 -1.39 -0.00 0.00 0.00 0.00 0.00 23.12 21.59 2k2e s ALA 143 CO 0.01 -0.34 -0.19 -0.51 0.00 0.00 0.00 175.76 174.73 2k2e s LEU 144 N 1.30 2.33 -0.32 0.00 1.43 0.10 0.24 118.68 123.77 2k2e s LEU 144 Ca 0.04 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2k2e s LEU 144 Cb -0.14 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2k2e s LEU 144 CO -0.07 0.12 0.24 -0.76 0.23 0.00 0.00 176.35 176.11 2k2e s LEU 145 N 0.61 4.38 0.47 1.79 1.43 -1.08 -2.42 118.68 123.85 2k2e s LEU 145 Ca -0.10 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 2k2e s LEU 145 Cb -0.16 -2.16 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 2k2e s LEU 145 CO 0.03 -0.20 0.99 -2.16 0.23 0.00 0.00 176.35 175.25 2k2e s PRO 146 N 1.77 3.99 -0.06 1.29 0.04 -1.26 -4.03 135.00 136.74 2k2e s PRO 146 Ca 0.07 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 2k2e s PRO 146 Cb -0.17 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2k2e s PRO 146 CO 0.11 -0.24 1.15 0.34 0.04 0.00 0.00 177.00 178.39 2k2e s ASP 147 N -2.24 7.11 0.00 6.66 2.15 -1.26 -4.31 116.67 124.78 2k2e s ASP 147 Ca 0.64 1.76 0.00 0.00 0.43 0.00 0.00 52.55 55.38 2k2e s ASP 147 Cb -0.12 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2k2e s ASP 147 CO 0.19 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 2k2e n GLY 148 N 3.28 0.25 2.97 2.66 0.00 -1.26 -4.83 105.19 108.26 2k2e n GLY 148 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 2k2e n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2e n ASP 149 N 0.00 -7.77 -4.57 1.61 8.00 -1.26 -4.84 116.55 107.72 2k2e n ASP 149 Ca 0.00 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.33 2k2e n ASP 149 Cb 0.00 -5.19 -0.02 0.00 -0.02 0.00 0.00 41.12 35.89 2k2e n ASP 149 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2k2e s SER 150 N -2.74 6.63 -0.66 -2.24 1.04 -1.26 -4.87 113.70 109.59 2k2e s SER 150 Ca 0.15 -1.83 -0.05 0.00 0.48 0.00 0.00 55.95 54.70 2k2e s SER 150 Cb -0.04 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.68 2k2e s SER 150 CO 0.77 -1.38 0.50 -0.22 0.98 0.00 0.00 173.24 173.89 2k2e s LEU 151 N 4.66 5.48 -0.01 2.42 2.96 -1.26 -4.81 118.68 128.12 2k2e s LEU 151 Ca 0.49 -2.85 -0.30 0.00 -0.22 0.00 0.00 54.13 51.25 2k2e s LEU 151 Cb 0.01 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2k2e s LEU 151 CO -0.03 -0.40 1.24 -0.70 -1.32 0.00 0.00 176.35 175.14 2k2e s GLU 152 N -0.06 4.36 0.09 1.98 2.56 -1.26 -4.98 118.70 121.41 2k2e s GLU 152 Ca 0.17 1.76 -0.31 0.00 0.00 0.00 0.00 54.97 56.59 2k2e s GLU 152 Cb -0.19 -3.50 -0.07 0.00 2.00 0.00 0.00 34.13 32.38 2k2e s GLU 152 CO -0.04 -0.41 1.27 -1.01 -0.56 0.00 0.00 175.26 174.50 2k2e s HIS 153 N 1.90 3.37 0.26 5.30 3.76 -1.26 -4.92 115.29 123.69 2k2e s HIS 153 Ca 0.58 1.19 -0.03 0.00 -0.15 0.00 0.00 55.06 56.66 2k2e s HIS 153 Cb -0.27 -3.51 0.32 0.00 1.11 0.00 0.00 32.58 30.22 2k2e s HIS 153 CO 0.25 -1.66 1.77 1.25 -0.85 0.00 0.00 174.74 175.51 2k2e h HIS 154 N 6.62 0.90 -3.60 1.40 2.76 -2.07 -3.38 115.15 117.79 2k2e h HIS 154 Ca -0.42 -0.11 -0.67 0.00 -2.20 0.00 0.00 60.37 56.97 2k2e h HIS 154 Cb 1.21 -0.25 -0.34 0.00 1.55 0.00 0.00 27.41 29.58 2k2e h HIS 154 CO 0.66 0.79 -0.76 -1.01 -1.30 0.00 0.00 177.93 176.31 2k2e s HIS 155 N -5.10 3.12 0.31 5.26 3.76 -1.26 -5.11 115.29 116.27 2k2e s HIS 155 Ca -0.10 -1.81 -0.07 0.00 -0.15 0.00 0.00 55.06 52.93 2k2e s HIS 155 Cb 0.15 -2.02 -0.06 0.00 1.11 0.00 0.00 32.58 31.76 2k2e s HIS 155 CO 0.81 -0.79 0.62 -1.01 -0.85 0.00 0.00 174.74 173.52 2k2e s HIS 156 N 1.25 3.46 -0.25 1.40 0.09 -1.26 -5.01 115.29 114.98 2k2e s HIS 156 Ca -0.03 0.80 -0.10 0.00 -0.00 0.00 0.00 55.06 55.74 2k2e s HIS 156 Cb -0.18 -2.23 -0.16 0.00 -0.00 0.00 0.00 32.58 30.01 2k2e s HIS 156 CO -0.05 0.11 -0.16 0.72 -0.00 0.00 0.00 174.74 175.35 2k2e n HIS 157 N -0.91 0.28 -1.23 1.40 8.25 -1.26 -5.21 115.22 116.54 2k2e n HIS 157 Ca -0.00 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2k2e n HIS 157 Cb 0.54 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.61 2k2e n HIS 157 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70