#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 2.25 -0.00 0.03 1.02 -1.26 -5.03 119.74 116.74 2k2e s LYS 2 Ca 0.00 -1.61 -0.04 0.00 0.02 0.00 0.00 55.97 54.34 2k2e s LYS 2 Cb 0.00 -2.08 -0.28 0.00 -0.52 0.00 0.00 37.83 34.95 2k2e s LYS 2 CO 0.00 0.15 0.83 -0.07 -0.92 0.00 0.00 175.35 175.34 2k2e h LEU 3 N 1.69 0.41 -7.36 3.17 3.38 -2.10 -3.41 115.31 111.09 2k2e h LEU 3 Ca -0.43 -0.58 -0.59 0.00 0.09 0.00 0.00 57.88 56.37 2k2e h LEU 3 Cb 1.25 -0.13 -0.40 0.00 0.09 0.00 0.00 40.66 41.47 2k2e h LEU 3 CO 0.64 1.48 -0.76 -1.00 0.09 0.00 0.00 178.44 178.89 2k2e s HIS 4 N -2.61 2.07 -0.94 1.13 3.76 -1.26 -5.04 115.29 112.40 2k2e s HIS 4 Ca -0.10 -1.79 -0.05 0.00 -0.15 0.00 0.00 55.06 52.96 2k2e s HIS 4 Cb 0.07 -1.76 0.05 0.00 1.11 0.00 0.00 32.58 32.05 2k2e s HIS 4 CO 0.85 -0.82 2.67 2.41 -0.85 0.00 0.00 174.74 179.00 2k2e n THR 5 N 4.75 4.32 -3.57 1.30 -1.04 -1.26 -4.74 114.28 114.03 2k2e n THR 5 Ca -0.04 -3.49 0.01 0.00 -2.04 0.00 0.00 64.05 58.49 2k2e n THR 5 Cb 0.43 -1.94 -0.06 0.00 -1.82 0.00 0.00 70.33 66.94 2k2e n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k2e s ASP 6 N 0.64 -0.23 0.39 8.00 -1.08 -1.26 -5.05 116.67 118.09 2k2e s ASP 6 Ca 0.58 0.36 0.17 0.00 -0.52 0.00 0.00 52.55 53.14 2k2e s ASP 6 Cb 0.27 1.13 0.81 0.00 -1.46 0.00 0.00 42.92 43.66 2k2e s ASP 6 CO -0.13 -0.05 1.82 1.55 0.52 0.00 0.00 175.17 178.87 2k2e h PRO 7 N 5.81 0.00 -2.53 4.34 0.13 -2.06 -3.43 132.00 134.26 2k2e h PRO 7 Ca -0.24 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 2k2e h PRO 7 Cb 1.16 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.03 2k2e h PRO 7 CO 0.19 0.35 -0.28 0.00 -0.23 0.00 0.00 178.00 178.03 2k2e s ALA 8 N -3.94 -1.19 -1.05 -0.56 0.00 -1.26 -5.09 121.76 108.68 2k2e s ALA 8 Ca -0.02 1.63 -0.23 0.00 0.00 0.00 0.00 51.96 53.35 2k2e s ALA 8 Cb 0.13 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 2k2e s ALA 8 CO 0.69 -0.43 1.78 0.95 0.00 0.00 0.00 175.76 178.75 2k2e s THR 9 N 1.81 3.69 0.00 0.00 -4.23 -1.26 -4.65 115.64 110.99 2k2e s THR 9 Ca -0.07 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2k2e s THR 9 Cb -0.09 -4.57 0.00 0.00 1.34 0.00 0.00 72.50 69.18 2k2e s THR 9 CO -0.14 -1.38 0.00 0.00 -0.54 0.00 0.00 174.62 172.57 2k2e n ALA 10 N 11.90 0.00 -2.86 3.99 0.00 -1.26 -4.12 120.51 128.17 2k2e n ALA 10 Ca 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 2k2e n ALA 10 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 2k2e n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k2e n LEU 11 N 0.00 -5.72 -4.59 0.00 4.77 -0.22 -4.90 117.00 106.34 2k2e n LEU 11 Ca 0.00 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 2k2e n LEU 11 Cb 0.00 -2.89 -0.03 0.00 -2.33 0.00 0.00 43.42 38.17 2k2e n LEU 11 CO 0.00 -0.62 1.66 0.21 -1.33 0.00 0.00 177.39 177.31 2k2e s ASN 12 N -2.99 5.62 -0.05 -1.43 2.47 -0.40 -4.96 114.94 113.20 2k2e s ASN 12 Ca 0.12 1.37 0.05 0.00 0.42 0.00 0.00 52.86 54.82 2k2e s ASN 12 Cb -0.02 -2.52 -0.02 0.00 -1.45 0.00 0.00 41.25 37.25 2k2e s ASN 12 CO 0.63 -1.91 -0.22 -0.89 -3.72 0.00 0.00 177.10 170.98 2k2e s THR 13 N 7.82 2.37 0.19 -5.21 2.01 -1.26 -4.82 115.64 116.73 2k2e s THR 13 Ca 0.86 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 2k2e s THR 13 Cb -0.24 -1.88 -0.09 0.00 0.01 0.00 0.00 72.50 70.30 2k2e s THR 13 CO 0.32 0.57 1.39 -0.69 -0.69 0.00 0.00 174.62 175.53 2k2e s VAL 14 N -0.36 3.02 -0.22 3.82 1.01 -1.26 -2.95 120.40 123.47 2k2e s VAL 14 Ca 0.02 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 2k2e s VAL 14 Cb -0.12 -3.51 -0.18 0.00 0.00 0.00 0.00 36.38 32.56 2k2e s VAL 14 CO 0.02 0.10 0.01 0.35 0.00 0.00 0.00 175.10 175.58 2k2e n THR 15 N 3.03 1.58 -3.93 3.92 -2.24 -0.03 -4.85 114.28 111.77 2k2e n THR 15 Ca 0.08 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 2k2e n THR 15 Cb 0.41 -1.80 -0.11 0.00 -2.10 0.00 0.00 70.33 66.73 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 -2.48 -0.06 0.00 6.98 0.00 -0.95 -5.05 121.76 120.20 2k2e s ALA 16 Ca -0.31 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2k2e s ALA 16 Cb 0.09 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.33 2k2e s ALA 16 CO 0.61 -0.17 0.00 0.66 0.00 0.00 0.00 175.76 176.86 2k2e n TYR 17 N 1.67 0.00 0.00 0.00 4.01 -1.26 -1.05 117.16 120.53 2k2e n TYR 17 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2k2e n TYR 17 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 2k2e n TYR 17 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k2e n GLY 18 N 2.61 1.70 3.64 2.72 0.00 -1.26 -4.47 105.19 110.13 2k2e n GLY 18 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 2k2e n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2e s ASP 19 N -4.00 -0.83 0.00 1.61 2.15 -1.26 -4.97 116.67 109.37 2k2e s ASP 19 Ca 0.00 1.34 0.00 0.00 0.43 0.00 0.00 52.55 54.32 2k2e s ASP 19 Cb 0.00 1.34 0.00 0.00 -0.30 0.00 0.00 42.92 43.96 2k2e s ASP 19 CO 0.00 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2k2e n GLY 20 N 4.02 2.05 3.78 2.66 0.00 -1.26 -4.93 105.19 111.52 2k2e n GLY 20 Ca -0.19 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.04 2.61 -0.14 1.61 -0.85 -1.26 -4.80 117.35 114.48 2k2e s TYR 21 Ca 0.00 -0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 55.98 2k2e s TYR 21 Cb 0.00 -2.02 0.03 0.00 0.38 0.00 0.00 41.96 40.35 2k2e s TYR 21 CO 0.00 0.08 -0.05 0.42 -1.52 0.00 0.00 175.55 174.47 2k2e s ILE 22 N -2.57 1.00 -0.30 -3.49 1.01 -0.57 -4.62 121.20 111.66 2k2e s ILE 22 Ca 0.43 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 2k2e s ILE 22 Cb 0.02 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2k2e s ILE 22 CO 0.24 0.22 0.35 -0.70 0.00 0.00 0.00 174.94 175.04 2k2e s GLU 23 N 1.70 3.80 -0.18 2.79 2.12 -0.21 0.06 118.70 128.78 2k2e s GLU 23 Ca 0.03 -0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 2k2e s GLU 23 Cb -0.14 -3.73 -0.01 0.00 0.26 0.00 0.00 34.13 30.52 2k2e s GLU 23 CO -0.08 -0.38 -0.09 0.08 -0.54 0.00 0.00 175.26 174.25 2k2e s VAL 24 N 2.01 3.12 0.00 3.70 1.01 0.13 -0.85 120.40 129.53 2k2e s VAL 24 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2k2e s VAL 24 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2k2e s VAL 24 CO 0.11 0.48 0.00 0.59 0.00 0.00 0.00 175.10 176.28 2k2e n ASN 25 N 4.22 0.00 0.00 3.32 3.02 -1.15 -1.31 115.26 123.36 2k2e n ASN 25 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 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 -4.08 3.52 6.02 -1.26 -4.81 117.38 116.77 2k2e n GLN 26 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 2k2e n GLN 26 Cb 0.00 -0.28 -0.14 0.00 1.02 0.00 0.00 30.24 30.84 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 3.35 -0.43 5.09 1.01 -0.42 -5.07 120.40 123.93 2k2e s VAL 27 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 2k2e s VAL 27 Cb 0.00 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.90 2k2e s VAL 27 CO 0.00 0.45 0.88 0.00 0.00 0.00 0.00 175.10 176.43 2k2e s ARG 28 N 1.22 3.60 -0.25 2.72 1.70 -1.26 -0.69 118.95 125.98 2k2e s ARG 28 Ca 0.03 0.21 -0.20 0.00 -0.47 0.00 0.00 55.73 55.30 2k2e s ARG 28 Cb -0.14 -3.89 -0.02 0.00 -0.57 0.00 0.00 34.95 30.32 2k2e s ARG 28 CO -0.02 -1.11 0.60 -0.06 -1.08 0.00 0.00 175.30 173.63 2k2e s PHE 29 N 3.54 3.28 -0.30 5.89 0.08 0.11 -4.88 117.98 125.70 2k2e s PHE 29 Ca 0.35 0.77 0.11 0.00 0.12 0.00 0.00 56.93 58.28 2k2e s PHE 29 Cb -0.11 -2.81 0.73 0.00 -0.57 0.00 0.00 43.02 40.26 2k2e s PHE 29 CO 0.23 -0.31 1.75 0.43 -0.10 0.00 0.00 175.22 177.22 2k2e n SER 30 N 5.65 4.78 -4.08 1.36 7.64 -1.26 -1.51 113.62 126.20 2k2e n SER 30 Ca -0.02 -3.20 -0.09 0.00 1.01 0.00 0.00 58.87 56.58 2k2e n SER 30 Cb 0.49 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.88 2k2e n SER 30 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2k2e s HIS 31 N -2.97 0.65 0.30 1.43 -3.43 -1.26 -4.99 115.29 105.02 2k2e s HIS 31 Ca 0.54 -1.07 -0.29 0.00 -0.80 0.00 0.00 55.06 53.43 2k2e s HIS 31 Cb 0.43 -0.36 -0.11 0.00 -1.43 0.00 0.00 32.58 31.11 2k2e s HIS 31 CO 0.13 -0.52 1.47 0.00 -2.00 0.00 0.00 174.74 173.82 2k2e s ALA 32 N -3.99 3.63 -0.01 -1.38 0.00 -1.21 -4.73 121.76 114.06 2k2e s ALA 32 Ca 0.17 1.42 0.01 0.00 0.00 0.00 0.00 51.96 53.57 2k2e s ALA 32 Cb 0.07 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2k2e s ALA 32 CO -0.02 -0.84 -0.03 0.96 0.00 0.00 0.00 175.76 175.82 2k2e s ILE 33 N -0.38 0.29 -0.25 0.00 -4.36 -0.94 -0.54 121.20 115.02 2k2e s ILE 33 Ca 0.57 -0.11 0.02 0.00 -0.26 0.00 0.00 60.65 60.87 2k2e s ILE 33 Cb -0.44 -0.28 0.06 0.00 1.25 0.00 0.00 42.46 43.05 2k2e s ILE 33 CO 0.49 0.10 -0.08 0.00 0.24 0.00 0.00 174.94 175.70 2k2e s ALA 34 N 0.17 2.28 0.06 2.27 0.00 0.64 -0.62 121.76 126.57 2k2e s ALA 34 Ca -0.01 -1.59 0.07 0.00 0.00 0.00 0.00 51.96 50.42 2k2e s ALA 34 Cb -0.05 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 2k2e s ALA 34 CO -0.00 -1.21 -0.19 -0.59 0.00 0.00 0.00 175.76 173.77 2k2e s PHE 35 N 1.24 1.63 0.20 0.00 -0.71 -0.34 0.21 117.98 120.22 2k2e s PHE 35 Ca -0.07 -0.39 0.05 0.00 -1.04 0.00 0.00 56.93 55.48 2k2e s PHE 35 Cb -0.19 -0.94 -0.03 0.00 -1.21 0.00 0.00 43.02 40.64 2k2e s PHE 35 CO -0.06 0.11 0.27 0.00 -1.34 0.00 0.00 175.22 174.21 2k2e s ALA 36 N -0.97 3.82 0.14 1.99 0.00 -0.57 -2.52 121.76 123.65 2k2e s ALA 36 Ca 0.05 -1.20 0.33 0.00 0.00 0.00 0.00 51.96 51.14 2k2e s ALA 36 Cb -0.09 -1.61 1.66 0.00 0.00 0.00 0.00 23.12 23.08 2k2e s ALA 36 CO 0.02 0.38 1.99 -1.00 0.00 0.00 0.00 175.76 177.15 2k2e h PRO 37 N 1.72 0.00 -0.32 0.00 0.13 -1.88 -1.91 132.00 129.73 2k2e h PRO 37 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k2e h PRO 37 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k2e h PRO 37 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 2k2e n GLU 38 N -2.69 1.79 0.00 0.86 1.02 -1.26 -1.05 120.64 119.31 2k2e n GLU 38 Ca -0.01 -1.23 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 2k2e n GLU 38 Cb 0.11 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.06 2.25 3.37 0.62 0.00 -0.72 -4.75 105.19 107.02 2k2e n GLY 39 Ca 0.12 -0.77 -0.61 0.00 0.00 0.00 0.00 46.02 44.77 2k2e n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k2e n PRO 40 N 0.00 0.00 -3.89 1.61 -0.01 -1.26 -4.53 135.00 126.92 2k2e n PRO 40 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 63.50 63.14 2k2e n PRO 40 Cb 0.00 -1.35 -0.14 0.00 -0.01 0.00 0.00 33.50 32.00 2k2e n PRO 40 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 2k2e s VAL 41 N 2.74 3.19 -0.03 -1.45 1.01 -1.26 -1.52 120.40 123.08 2k2e s VAL 41 Ca 0.95 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 2k2e s VAL 41 Cb -1.35 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2k2e s VAL 41 CO 0.74 0.08 0.48 0.00 0.00 0.00 0.00 175.10 176.39 2k2e s ALA 42 N 1.35 3.58 0.05 5.51 0.00 0.13 -4.91 121.76 127.47 2k2e s ALA 42 Ca -0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 2k2e s ALA 42 Cb -0.18 -2.56 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 2k2e s ALA 42 CO -0.02 0.26 0.59 -1.12 0.00 0.00 0.00 175.76 175.47 2k2e s SER 43 N -0.36 7.05 -0.08 0.00 0.01 -1.26 -0.26 113.70 118.79 2k2e s SER 43 Ca 0.26 1.24 0.04 0.00 1.31 0.00 0.00 55.95 58.81 2k2e s SER 43 Cb -0.17 -2.37 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 2k2e s SER 43 CO 0.14 0.20 -0.23 0.26 0.41 0.00 0.00 173.24 174.02 2k2e s TRP 44 N -0.73 2.38 -0.90 2.43 0.52 0.30 -4.93 118.94 118.01 2k2e s TRP 44 Ca 0.30 -0.88 0.01 0.00 0.02 0.00 0.00 56.10 55.55 2k2e s TRP 44 Cb -0.19 -1.59 0.06 0.00 -1.15 0.00 0.00 33.47 30.60 2k2e s TRP 44 CO 0.19 -0.34 0.62 -2.30 0.02 0.00 0.00 176.95 175.14 2k2e n PRO 45 N 3.36 1.29 -3.38 4.98 -0.02 -1.26 -3.36 135.00 136.61 2k2e n PRO 45 Ca -0.19 -0.24 -0.38 0.00 -2.02 0.00 0.00 63.50 60.67 2k2e n PRO 45 Cb 0.53 -1.54 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k2e s VAL 46 N -1.09 5.19 -0.12 -1.45 1.01 -1.26 -4.93 120.40 117.75 2k2e s VAL 46 Ca 0.04 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2k2e s VAL 46 Cb 0.03 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2k2e s VAL 46 CO 0.01 0.21 0.85 0.00 0.00 0.00 0.00 175.10 176.17 2k2e n GLN 47 N 4.80 1.58 -3.70 2.72 6.02 -1.26 -4.36 117.38 123.19 2k2e n GLN 47 Ca -0.08 -1.20 -0.13 0.00 -0.01 0.00 0.00 57.00 55.58 2k2e n GLN 47 Cb 0.51 -1.03 -0.07 0.00 1.02 0.00 0.00 30.24 30.67 2k2e n GLN 47 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2k2e s ARG 48 N -0.67 0.84 0.00 -1.09 3.03 -1.26 -4.23 118.95 115.57 2k2e s ARG 48 Ca 0.02 -0.27 0.00 0.00 2.03 0.00 0.00 55.73 57.51 2k2e s ARG 48 Cb 0.01 0.37 0.00 0.00 -1.03 0.00 0.00 34.95 34.31 2k2e s ARG 48 CO 0.02 -0.27 0.44 -0.35 -1.13 0.00 0.00 175.30 174.01 2k2e n PRO 49 N 0.79 0.57 -0.04 3.89 -0.04 -1.26 -2.86 135.00 136.05 2k2e n PRO 49 Ca -0.20 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.18 2k2e n PRO 49 Cb 0.58 -1.13 -0.14 0.00 -0.04 0.00 0.00 33.50 32.77 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e n ALA 50 N -0.18 1.55 0.22 0.55 0.00 -1.26 -4.23 120.51 117.16 2k2e n ALA 50 Ca 0.00 -0.94 0.12 0.00 0.00 0.00 0.00 53.44 52.62 2k2e n ALA 50 Cb 0.06 -0.63 0.26 0.00 0.00 0.00 0.00 19.45 19.15 2k2e n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2k2e h ASP 51 N 0.00 0.00 -2.00 0.00 3.32 -1.97 -3.44 116.42 112.32 2k2e h ASP 51 Ca -0.36 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.10 2k2e h ASP 51 Cb 2.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.60 2k2e h ASP 51 CO 0.06 0.07 1.49 -0.63 -1.72 0.00 0.00 179.24 178.50 2k2e s ILE 52 N -3.29 3.00 0.23 0.35 1.01 -1.26 -4.93 121.20 116.32 2k2e s ILE 52 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2k2e s ILE 52 Cb 0.06 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 2k2e s ILE 52 CO 0.65 -0.00 -0.00 0.42 0.00 0.00 0.00 174.94 176.01 2k2e s THR 53 N 8.17 1.00 0.41 2.92 -4.23 -1.26 -4.99 115.64 117.67 2k2e s THR 53 Ca 1.00 -2.03 0.12 0.00 -1.18 0.00 0.00 61.69 59.61 2k2e s THR 53 Cb -0.33 -2.34 0.33 0.00 1.34 0.00 0.00 72.50 71.50 2k2e s THR 53 CO 0.35 -0.33 1.95 0.00 -0.54 0.00 0.00 174.62 176.05 2k2e h ALA 54 N 2.48 1.97 0.07 3.99 0.00 -1.92 -1.40 119.26 124.45 2k2e h ALA 54 Ca -0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k2e h ALA 54 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k2e h ALA 54 CO 0.64 -0.13 -0.03 0.66 0.00 0.00 0.00 179.25 180.39 2k2e h SER 55 N 0.50 -0.08 -0.55 0.00 4.64 -1.96 -2.29 113.55 113.82 2k2e h SER 55 Ca 0.33 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 2k2e h SER 55 Cb 0.60 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 2k2e h SER 55 CO -0.11 0.07 0.24 -0.07 -0.87 0.00 0.00 176.83 176.09 2k2e h LEU 56 N -0.22 0.78 -0.75 5.97 3.38 -1.70 -2.37 115.31 120.41 2k2e h LEU 56 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2k2e h LEU 56 Cb 0.19 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2k2e h LEU 56 CO 0.01 0.70 0.42 -0.07 0.09 0.00 0.00 178.44 179.59 2k2e h LEU 57 N 0.84 0.93 -0.99 1.67 3.38 -1.10 -0.34 115.31 119.69 2k2e h LEU 57 Ca 0.20 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2k2e h LEU 57 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2k2e h LEU 57 CO -0.02 0.75 -0.32 1.56 0.09 0.00 0.00 178.44 180.50 2k2e h GLN 58 N 1.03 0.32 -0.17 1.13 4.20 -0.97 -0.10 115.11 120.56 2k2e h GLN 58 Ca 0.26 -0.13 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 2k2e h GLN 58 Cb 0.02 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2k2e h GLN 58 CO -0.04 0.62 -0.56 1.96 -0.67 0.00 0.00 178.83 180.13 2k2e h GLN 59 N 0.28 0.52 0.00 1.46 4.20 -0.91 -2.55 115.11 118.11 2k2e h GLN 59 Ca 0.04 -0.33 -0.14 0.00 0.06 0.00 0.00 58.65 58.28 2k2e h GLN 59 Cb 0.72 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 2k2e h GLN 59 CO 0.05 0.94 -0.64 0.00 -0.67 0.00 0.00 178.83 178.51 2k2e h ALA 60 N 0.99 0.59 0.00 3.87 0.00 -0.81 -3.10 119.26 120.80 2k2e h ALA 60 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2k2e h ALA 60 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2k2e h ALA 60 CO 0.10 0.81 0.00 0.00 0.00 0.00 0.00 179.25 180.16 2k2e n ALA 61 N -2.26 2.18 -2.62 0.00 0.00 -0.07 -4.91 120.51 112.82 2k2e n ALA 61 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 2k2e n ALA 61 Cb 0.79 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 1.14 0.11 0.00 0.00 0.00 -1.10 -4.69 105.19 100.66 2k2e n GLY 62 Ca 0.06 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.05 0.00 0.00 0.99 4.77 -0.98 -4.76 117.00 114.97 2k2e n LEU 63 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2k2e n LEU 63 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2k2e n LEU 63 CO 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.28 2k2e n ALA 64 N -0.90 0.00 -2.62 -1.18 0.00 -1.26 -5.03 120.51 109.52 2k2e n ALA 64 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 2k2e n ALA 64 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 2k2e n ALA 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k2e s GLU 65 N -2.51 4.55 -0.27 0.00 2.02 -1.26 -5.03 118.70 116.20 2k2e s GLU 65 Ca 0.00 1.29 -0.00 0.00 0.02 0.00 0.00 54.97 56.28 2k2e s GLU 65 Cb 0.00 -3.44 0.08 0.00 0.10 0.00 0.00 34.13 30.87 2k2e s GLU 65 CO 0.00 0.04 0.04 0.08 0.02 0.00 0.00 175.26 175.44 2k2e s VAL 66 N 0.73 1.17 -0.52 2.63 1.01 -1.26 -5.09 120.40 119.06 2k2e s VAL 66 Ca 0.47 -1.31 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 2k2e s VAL 66 Cb -0.21 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.50 2k2e s VAL 66 CO 0.26 -0.42 0.87 -0.69 0.00 0.00 0.00 175.10 175.12 2k2e s VAL 67 N 1.51 4.50 0.38 2.92 1.01 -1.26 -4.45 120.40 125.01 2k2e s VAL 67 Ca 0.04 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 2k2e s VAL 67 Cb -0.18 -4.46 -0.10 0.00 0.00 0.00 0.00 36.38 31.64 2k2e s VAL 67 CO -0.15 -0.99 0.98 -0.13 0.00 0.00 0.00 175.10 174.82 2k2e s ARG 68 N 3.65 4.34 0.10 2.72 0.52 -1.24 -5.03 118.95 124.01 2k2e s ARG 68 Ca 0.29 1.34 -0.25 0.00 -0.52 0.00 0.00 55.73 56.59 2k2e s ARG 68 Cb -0.13 -2.55 -0.07 0.00 0.52 0.00 0.00 34.95 32.72 2k2e s ARG 68 CO 0.19 0.04 0.77 0.16 0.02 0.00 0.00 175.30 176.49 2k2e s ASP 69 N -1.74 7.30 -0.26 0.23 -4.77 -1.26 -4.97 116.67 111.19 2k2e s ASP 69 Ca 0.56 1.54 -0.19 0.00 -3.30 0.00 0.00 52.55 51.16 2k2e s ASP 69 Cb -0.17 -2.48 -0.02 0.00 -1.09 0.00 0.00 42.92 39.15 2k2e s ASP 69 CO 0.22 0.11 0.56 -2.16 0.70 0.00 0.00 175.17 174.60 2k2e s PRO 70 N -0.60 4.08 0.00 2.11 0.04 -1.26 -4.92 135.00 134.46 2k2e s PRO 70 Ca 0.37 0.41 0.19 0.00 0.04 0.00 0.00 61.00 62.01 2k2e s PRO 70 Cb -0.22 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 2k2e s PRO 70 CO 0.24 -0.37 0.93 1.28 0.04 0.00 0.00 177.00 179.12 2k2e n LEU 71 N 5.60 1.68 -0.05 -3.56 4.77 -1.26 -4.37 117.00 119.81 2k2e n LEU 71 Ca -0.03 -0.73 0.02 0.00 -0.03 0.00 0.00 56.01 55.24 2k2e n LEU 71 Cb 0.49 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 2k2e n LEU 71 CO 0.41 0.32 0.09 0.00 -1.33 0.00 0.00 177.39 176.89 2k2e n ALA 72 N -0.26 2.48 -3.67 -1.18 0.00 -1.26 -4.96 120.51 111.66 2k2e n ALA 72 Ca 0.07 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 2k2e n ALA 72 Cb 0.38 -0.13 -0.18 0.00 0.00 0.00 0.00 19.45 19.52 2k2e n ALA 72 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k2e s PHE 73 N -1.03 0.25 -2.06 0.00 0.08 -1.26 -4.98 117.98 108.98 2k2e s PHE 73 Ca 0.02 -0.05 0.29 0.00 0.12 0.00 0.00 56.93 57.31 2k2e s PHE 73 Cb 0.03 -0.63 1.19 0.00 -0.57 0.00 0.00 43.02 43.05 2k2e s PHE 73 CO 0.12 -0.34 1.83 -0.11 -0.10 0.00 0.00 175.22 176.62 2k2e n LEU 74 N 5.26 0.89 0.02 -0.37 7.94 -1.26 -3.43 117.00 126.05 2k2e n LEU 74 Ca -0.05 -0.24 0.14 0.00 -1.11 0.00 0.00 56.01 54.74 2k2e n LEU 74 Cb 0.49 -0.07 0.56 0.00 0.53 0.00 0.00 43.42 44.94 2k2e n LEU 74 CO 0.08 0.15 0.94 0.47 -1.11 0.00 0.00 177.39 177.92 2k2e n ASP 75 N -0.47 0.18 -2.48 1.96 9.92 -1.26 -5.00 116.55 119.40 2k2e n ASP 75 Ca 0.17 0.52 -0.03 0.00 -0.53 0.00 0.00 54.79 54.92 2k2e n ASP 75 Cb 0.29 -0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 40.18 2k2e n ASP 75 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2k2e n GLU 76 N -1.67 -3.62 -2.18 -1.24 2.13 -1.22 -4.82 120.64 108.01 2k2e n GLU 76 Ca 0.07 2.85 -0.31 0.00 0.66 0.00 0.00 57.16 60.42 2k2e n GLU 76 Cb 0.35 -4.64 -0.05 0.00 0.27 0.00 0.00 31.44 27.38 2k2e n GLU 76 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2k2e s PRO 77 N -0.99 2.82 -0.07 5.31 0.02 -1.26 -4.75 135.00 136.08 2k2e s PRO 77 Ca -0.15 -0.91 -0.27 0.00 0.02 0.00 0.00 61.00 59.68 2k2e s PRO 77 Cb 0.01 -5.22 -0.23 0.00 0.02 0.00 0.00 34.50 29.08 2k2e s PRO 77 CO 0.69 -3.33 1.05 1.49 -0.33 0.00 0.00 177.00 176.57 2k2e h GLU 78 N 10.10 0.03 -6.20 5.54 4.81 -1.98 -3.00 114.58 123.87 2k2e h GLU 78 Ca 0.19 -0.03 -0.52 0.00 -0.13 0.00 0.00 59.36 58.87 2k2e h GLU 78 Cb 0.97 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.29 2k2e h GLU 78 CO 1.27 0.74 1.17 0.00 -0.73 0.00 0.00 179.01 181.46 2k2e s ALA 79 N -3.36 2.53 0.00 2.92 0.00 -1.26 -2.77 121.76 119.81 2k2e s ALA 79 Ca -0.17 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2k2e s ALA 79 Cb -0.00 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.81 2k2e s ALA 79 CO 0.69 -3.56 0.00 0.41 0.00 0.00 0.00 175.76 173.30 2k2e n GLY 80 N 5.65 1.82 0.20 0.00 0.00 -1.26 -5.00 105.19 106.60 2k2e n GLY 80 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e h ALA 81 N 0.00 1.36 0.00 4.61 0.00 -1.37 -2.23 119.26 121.63 2k2e h ALA 81 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2k2e h ALA 81 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k2e h ALA 81 CO 0.00 0.42 -0.18 0.78 0.00 0.00 0.00 179.25 180.27 2k2e h GLY 82 N 1.14 0.00 0.00 0.00 0.00 -1.87 -3.30 103.07 99.04 2k2e h GLY 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k2e h GLY 82 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 2k2e n ALA 83 N -2.18 0.00 -3.12 3.60 0.00 -0.84 -4.85 120.51 113.12 2k2e n ALA 83 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 2k2e n ALA 83 Cb 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.77 2k2e n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k2e s ARG 84 N 0.00 3.43 0.00 0.00 0.52 -1.26 -5.00 118.95 116.64 2k2e s ARG 84 Ca 0.00 -0.63 -0.05 0.00 -0.52 0.00 0.00 55.73 54.53 2k2e s ARG 84 Cb 0.00 -3.33 -0.22 0.00 0.52 0.00 0.00 34.95 31.92 2k2e s ARG 84 CO 0.00 -0.29 3.08 -0.35 0.02 0.00 0.00 175.30 177.77 2k2e n PRO 85 N 4.90 1.65 0.10 3.54 -0.04 -1.26 -3.74 135.00 140.15 2k2e n PRO 85 Ca -0.16 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2k2e n PRO 85 Cb 0.50 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2k2e n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e n ALA 86 N 2.56 0.21 -3.35 0.55 0.00 -1.26 -5.07 120.51 114.15 2k2e n ALA 86 Ca 0.35 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 2k2e n ALA 86 Cb 0.76 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.26 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 -2.92 -6.43 -3.71 0.00 5.15 -1.25 -5.04 115.26 101.08 2k2e n ASN 87 Ca 0.00 -0.71 -0.17 0.00 -0.60 0.00 0.00 54.58 53.10 2k2e n ASN 87 Cb 0.00 -4.67 -0.16 0.00 -0.53 0.00 0.00 39.78 34.42 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2e s ALA 88 N -3.35 -0.01 0.70 5.20 0.00 -1.26 -4.77 121.76 118.26 2k2e s ALA 88 Ca 0.40 0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 2k2e s ALA 88 Cb -0.08 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.49 2k2e s ALA 88 CO 0.78 -0.37 1.19 -1.25 0.00 0.00 0.00 175.76 176.12 2k2e s PRO 89 N 1.78 2.38 -0.17 0.00 0.04 -1.26 -4.99 135.00 132.79 2k2e s PRO 89 Ca -0.01 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 2k2e s PRO 89 Cb -0.12 -1.87 -0.19 0.00 0.04 0.00 0.00 34.50 32.36 2k2e s PRO 89 CO -0.04 -1.64 0.37 1.49 0.04 0.00 0.00 177.00 177.22 2k2e h GLU 90 N -0.03 0.00 -4.12 4.56 4.81 -1.52 -3.38 114.58 114.90 2k2e h GLU 90 Ca -0.48 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.42 2k2e h GLU 90 Cb 1.29 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.37 2k2e h GLU 90 CO 0.51 0.83 -0.75 0.54 -0.73 0.00 0.00 179.01 179.41 2k2e s VAL 91 N -2.23 0.36 -0.21 0.32 0.11 -0.74 -1.26 120.40 116.74 2k2e s VAL 91 Ca -0.22 -0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 58.68 2k2e s VAL 91 Cb 0.02 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 2k2e s VAL 91 CO 0.55 0.13 -0.10 -0.22 -3.33 0.00 0.00 175.10 172.13 2k2e s LEU 92 N 0.24 2.70 -0.27 2.54 2.96 0.25 -1.97 118.68 125.13 2k2e s LEU 92 Ca -0.02 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 2k2e s LEU 92 Cb -0.06 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2k2e s LEU 92 CO -0.00 -0.04 0.16 -0.76 -1.32 0.00 0.00 176.35 174.39 2k2e s LEU 93 N 1.38 3.86 -0.24 -0.68 1.43 0.31 -0.03 118.68 124.71 2k2e s LEU 93 Ca 0.04 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2k2e s LEU 93 Cb -0.14 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2k2e s LEU 93 CO -0.07 -0.05 -0.02 -0.69 0.23 0.00 0.00 176.35 175.75 2k2e s VAL 94 N 1.72 3.40 -0.58 -1.59 1.01 -0.12 -0.05 120.40 124.17 2k2e s VAL 94 Ca 0.07 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 2k2e s VAL 94 Cb -0.16 -2.63 0.07 0.00 0.00 0.00 0.00 36.38 33.67 2k2e s VAL 94 CO 0.09 0.30 0.78 -0.83 0.00 0.00 0.00 175.10 175.44 2k2e s GLY 95 N 1.45 1.62 0.00 4.51 0.00 0.14 -0.03 107.32 115.01 2k2e s GLY 95 Ca 0.04 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.89 2k2e s GLY 95 CO -0.02 1.73 0.49 -1.30 0.00 0.00 0.00 173.10 174.00 2k2e n THR 96 N 5.74 0.00 0.00 0.90 -2.24 0.74 -1.60 114.28 117.83 2k2e n THR 96 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2k2e n THR 96 Cb 0.45 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.08 2.12 0.10 3.38 0.00 -1.24 -3.93 105.19 105.69 2k2e n GLY 97 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 0.21 0.00 1.61 3.08 -1.91 -3.36 114.38 114.01 2k2e h ARG 98 Ca 0.00 -0.32 -0.16 0.00 0.07 0.00 0.00 59.98 59.56 2k2e h ARG 98 Cb 0.00 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2k2e h ARG 98 CO 0.00 1.13 -0.15 0.54 -1.07 0.00 0.00 179.97 180.42 2k2e n ARG 99 N -3.52 0.19 -3.16 0.04 1.74 -1.25 -5.02 116.66 105.67 2k2e n ARG 99 Ca -0.06 -1.22 -0.45 0.00 -0.77 0.00 0.00 57.85 55.35 2k2e n ARG 99 Cb 0.96 1.04 -0.01 0.00 -1.02 0.00 0.00 32.46 33.44 2k2e n ARG 99 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2k2e s GLN 100 N -2.46 4.03 -0.56 5.56 -0.21 -1.26 -3.21 119.66 121.55 2k2e s GLN 100 Ca 0.14 -2.75 -0.19 0.00 0.02 0.00 0.00 55.36 52.58 2k2e s GLN 100 Cb 0.00 -4.75 0.09 0.00 1.00 0.00 0.00 33.01 29.35 2k2e s GLN 100 CO 0.10 -1.49 0.67 -1.58 -2.12 0.00 0.00 175.29 170.87 2k2e s HIS 101 N 0.31 3.02 0.43 0.91 2.46 -1.26 -4.87 115.29 116.29 2k2e s HIS 101 Ca 0.33 -0.84 -0.25 0.00 0.47 0.00 0.00 55.06 54.77 2k2e s HIS 101 Cb -0.07 -3.85 -0.08 0.00 -0.13 0.00 0.00 32.58 28.45 2k2e s HIS 101 CO -0.05 -1.20 1.32 -1.17 -2.47 0.00 0.00 174.74 171.16 2k2e s LEU 102 N 2.63 4.16 0.00 8.88 2.96 -1.26 -4.64 118.68 131.40 2k2e s LEU 102 Ca 0.12 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.71 2k2e s LEU 102 Cb -0.23 -3.96 0.00 0.00 0.50 0.00 0.00 46.19 42.50 2k2e s LEU 102 CO 0.08 -0.96 0.00 0.18 -1.32 0.00 0.00 176.35 174.32 2k2e n LEU 103 N -0.06 0.00 -4.77 -0.68 4.77 -1.26 -5.07 117.00 109.93 2k2e n LEU 103 Ca 0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.73 2k2e n LEU 103 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 2k2e n LEU 103 CO 0.55 -0.29 -0.27 -0.83 -1.33 0.00 0.00 177.39 175.23 2k2e s GLY 104 N -2.09 1.98 0.36 -0.72 0.00 -1.26 -5.01 107.32 100.57 2k2e s GLY 104 Ca 0.00 -1.05 0.09 0.00 0.00 0.00 0.00 44.72 43.77 2k2e s GLY 104 CO 0.00 -1.03 1.86 -2.55 0.00 0.00 0.00 173.10 171.38 2k2e h PRO 105 N 3.23 0.65 -0.06 2.90 0.11 -1.98 -0.78 132.00 136.06 2k2e h PRO 105 Ca -0.47 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 2k2e h PRO 105 Cb 1.17 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2k2e h PRO 105 CO 0.65 0.43 -0.68 0.93 -0.21 0.00 0.00 178.00 179.13 2k2e h GLU 106 N 0.67 0.28 -0.29 1.05 5.08 -1.99 -1.16 114.58 118.23 2k2e h GLU 106 Ca 0.46 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 2k2e h GLU 106 Cb 0.77 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2k2e h GLU 106 CO -0.21 0.85 -0.32 1.96 -1.00 0.00 0.00 179.01 180.29 2k2e h GLN 107 N 0.20 0.72 -0.00 2.33 4.20 -1.57 -3.07 115.11 117.92 2k2e h GLN 107 Ca -0.02 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2k2e h GLN 107 Cb 1.22 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2k2e h GLN 107 CO 0.11 1.01 -0.35 1.33 -0.67 0.00 0.00 178.83 180.26 2k2e n VAL 108 N -4.23 0.00 0.00 -0.54 0.24 -0.86 -4.13 118.33 108.80 2k2e n VAL 108 Ca -0.04 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 2k2e n VAL 108 Cb 0.49 0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 33.14 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 0.71 -0.06 -0.98 7.34 1.12 -1.10 0.12 114.38 121.54 2k2e h ARG 109 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 59.98 59.00 2k2e h ARG 109 Cb 0.50 0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 30.39 2k2e h ARG 109 CO 0.00 -0.04 0.60 -1.35 -3.11 0.00 0.00 179.97 176.07 2k2e h PRO 110 N -0.06 0.89 0.09 0.20 0.11 -1.76 -0.11 132.00 131.36 2k2e h PRO 110 Ca 0.06 -0.05 -0.28 0.00 0.11 0.00 0.00 66.00 65.84 2k2e h PRO 110 Cb 0.15 -0.20 0.02 0.00 0.11 0.00 0.00 31.00 31.08 2k2e h PRO 110 CO -0.14 0.59 -1.17 -0.07 -0.21 0.00 0.00 178.00 177.00 2k2e h LEU 111 N 0.92 0.72 -1.41 2.35 3.38 -1.72 -3.00 115.31 116.55 2k2e h LEU 111 Ca 0.50 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2k2e h LEU 111 Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2k2e h LEU 111 CO -0.29 1.47 0.15 -0.07 0.09 0.00 0.00 178.44 179.80 2k2e h LEU 112 N 0.24 0.49 -1.45 1.67 3.38 -0.24 0.29 115.31 119.69 2k2e h LEU 112 Ca -0.15 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2k2e h LEU 112 Cb 1.84 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 2k2e h LEU 112 CO 0.21 0.45 -0.10 0.00 0.09 0.00 0.00 178.44 179.10 2k2e h ALA 113 N 1.62 1.04 0.00 1.53 0.00 -0.99 -1.83 119.26 120.63 2k2e h ALA 113 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k2e h ALA 113 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k2e h ALA 113 CO -0.01 0.13 -0.66 -1.33 0.00 0.00 0.00 179.25 177.37 2k2e n MET 114 N -3.28 0.11 -0.12 0.00 2.81 -0.18 -4.94 117.12 111.53 2k2e n MET 114 Ca -0.00 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2k2e n MET 114 Cb 0.33 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 2k2e n MET 114 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k2e n GLY 115 N 1.44 0.89 3.56 3.03 0.00 -0.33 -5.03 105.19 108.76 2k2e n GLY 115 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.03 4.59 -0.62 1.61 1.01 0.83 -4.81 120.40 120.99 2k2e s VAL 116 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 2k2e s VAL 116 Cb 0.00 -4.35 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2k2e s VAL 116 CO 0.00 -0.70 1.15 -0.83 0.00 0.00 0.00 175.10 174.72 2k2e s GLY 117 N 2.12 1.14 -0.25 4.51 0.00 -0.39 -3.56 107.32 110.89 2k2e s GLY 117 Ca 0.33 -1.09 -0.19 0.00 0.00 0.00 0.00 44.72 43.77 2k2e s GLY 117 CO 0.23 2.43 0.57 0.14 0.00 0.00 0.00 173.10 176.47 2k2e s VAL 118 N 4.90 5.03 -0.22 1.40 1.01 -1.26 -0.58 120.40 130.67 2k2e s VAL 118 Ca 0.37 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.37 2k2e s VAL 118 Cb -0.09 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2k2e s VAL 118 CO 0.21 0.06 -0.13 -1.61 0.00 0.00 0.00 175.10 173.63 2k2e s GLU 119 N 2.37 2.74 -0.30 2.72 2.02 0.95 -4.94 118.70 124.26 2k2e s GLU 119 Ca 0.24 -1.02 -0.12 0.00 0.02 0.00 0.00 54.97 54.09 2k2e s GLU 119 Cb -0.16 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 2k2e s GLU 119 CO 0.09 -0.37 0.25 0.00 0.02 0.00 0.00 175.26 175.25 2k2e s ALA 120 N 1.25 3.53 0.06 5.21 0.00 -1.26 -0.95 121.76 129.60 2k2e s ALA 120 Ca -0.00 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2k2e s ALA 120 Cb -0.16 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 2k2e s ALA 120 CO -0.08 -0.71 0.05 -1.33 0.00 0.00 0.00 175.76 173.69 2k2e n MET 121 N 5.14 0.08 -2.14 0.00 2.81 0.96 -4.27 117.12 119.71 2k2e n MET 121 Ca -0.12 -0.62 -0.34 0.00 -1.81 0.00 0.00 57.70 54.80 2k2e n MET 121 Cb 0.51 0.51 0.01 0.00 -0.71 0.00 0.00 33.22 33.54 2k2e n MET 121 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k2e s ASP 122 N -1.44 5.60 0.32 7.83 -1.08 -1.20 -0.19 116.67 126.53 2k2e s ASP 122 Ca 0.07 2.10 0.03 0.00 -0.52 0.00 0.00 52.55 54.23 2k2e s ASP 122 Cb 0.00 -2.57 0.61 0.00 -1.46 0.00 0.00 42.92 39.50 2k2e s ASP 122 CO 0.05 -1.29 1.91 0.74 0.52 0.00 0.00 175.17 177.10 2k2e h THR 123 N 0.88 1.02 -0.24 1.71 2.02 -1.80 0.32 112.91 116.83 2k2e h THR 123 Ca -0.49 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.24 2k2e h THR 123 Cb 1.25 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2k2e h THR 123 CO 0.56 0.17 -0.35 -0.61 0.37 0.00 0.00 175.52 175.66 2k2e h GLN 124 N 0.93 0.65 -0.45 6.66 4.15 -1.92 -1.79 115.11 123.35 2k2e h GLN 124 Ca 0.38 -0.39 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 2k2e h GLN 124 Cb 0.28 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2k2e h GLN 124 CO -0.15 1.00 -0.12 0.00 -1.93 0.00 0.00 178.83 177.63 2k2e h ALA 125 N 0.64 0.62 -0.58 3.38 0.00 -1.74 -2.63 119.26 118.96 2k2e h ALA 125 Ca 0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 2k2e h ALA 125 Cb 0.94 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2k2e h ALA 125 CO 0.08 0.52 0.04 0.00 0.00 0.00 0.00 179.25 179.89 2k2e h ALA 126 N 0.87 0.97 0.23 0.00 0.00 -0.40 -1.91 119.26 119.01 2k2e h ALA 126 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k2e h ALA 126 Cb 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k2e h ALA 126 CO 0.05 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.82 2k2e h ALA 127 N 1.13 -0.30 -0.88 0.00 0.00 -1.16 0.15 119.26 118.19 2k2e h ALA 127 Ca 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2k2e h ALA 127 Cb 0.48 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2k2e h ALA 127 CO 0.02 -0.67 0.46 0.00 0.00 0.00 0.00 179.25 179.06 2k2e h ARG 128 N -0.30 1.24 -0.68 0.00 3.08 -1.41 -1.70 114.38 114.60 2k2e h ARG 128 Ca -0.03 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 2k2e h ARG 128 Cb 0.23 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2k2e h ARG 128 CO 0.05 0.92 0.15 1.15 -1.07 0.00 0.00 179.97 181.16 2k2e h THR 129 N 1.23 1.26 -0.31 2.04 2.02 -1.10 -2.41 112.91 115.65 2k2e h THR 129 Ca 0.31 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 2k2e h THR 129 Cb 0.06 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2k2e h THR 129 CO -0.05 0.38 0.18 0.22 0.37 0.00 0.00 175.52 176.63 2k2e h TYR 130 N 1.03 0.41 -0.81 3.16 3.20 -0.17 0.25 116.97 124.03 2k2e h TYR 130 Ca 0.21 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.13 2k2e h TYR 130 Cb 0.40 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 2k2e h TYR 130 CO 0.03 0.30 0.53 -0.91 -1.64 0.00 0.00 178.16 176.48 2k2e h ASN 131 N 0.39 0.84 0.23 -2.11 4.21 -1.16 0.18 115.58 118.16 2k2e h ASN 131 Ca 0.11 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 2k2e h ASN 131 Cb 0.01 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.03 2k2e h ASN 131 CO -0.02 0.56 -0.11 0.40 -1.29 0.00 0.00 177.43 176.97 2k2e h ILE 132 N 0.96 0.82 -0.74 2.81 2.04 -0.91 -2.25 117.51 120.25 2k2e h ILE 132 Ca 0.33 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2k2e h ILE 132 Cb 0.11 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2k2e h ILE 132 CO -0.11 0.16 0.39 -0.07 0.00 0.00 0.00 178.15 178.52 2k2e h LEU 133 N -0.73 0.95 -0.74 1.44 3.38 -0.65 -1.20 115.31 117.76 2k2e h LEU 133 Ca -0.03 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2k2e h LEU 133 Cb 0.49 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2k2e h LEU 133 CO 0.05 0.79 0.12 -0.03 0.09 0.00 0.00 178.44 179.46 2k2e h MET 134 N 1.03 1.08 -0.18 1.13 4.05 -0.74 -0.53 114.93 120.78 2k2e h MET 134 Ca 0.26 -0.28 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 2k2e h MET 134 Cb 0.07 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 2k2e h MET 134 CO -0.04 0.98 -0.19 0.00 0.23 0.00 0.00 176.91 177.89 2k2e h ALA 135 N 1.11 1.36 0.00 0.39 0.00 -0.81 -1.91 119.26 119.39 2k2e h ALA 135 Ca 0.20 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2k2e h ALA 135 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k2e h ALA 135 CO 0.01 0.44 -0.44 0.93 0.00 0.00 0.00 179.25 180.19 2k2e h GLU 136 N 0.28 0.00 0.00 0.00 5.08 -0.76 -3.47 114.58 115.71 2k2e h GLU 136 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k2e h GLU 136 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2k2e h GLU 136 CO 0.03 0.44 0.00 0.41 -1.00 0.00 0.00 179.01 178.89 2k2e n GLY 137 N 0.45 1.23 3.86 -3.84 0.00 -0.61 -5.09 105.19 101.18 2k2e n GLY 137 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2k2e n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k2e s ARG 138 N -0.41 3.74 -1.11 1.61 0.52 -0.31 -4.98 118.95 118.01 2k2e s ARG 138 Ca 0.00 0.81 -0.15 0.00 -0.52 0.00 0.00 55.73 55.87 2k2e s ARG 138 Cb 0.00 -2.12 0.16 0.00 0.52 0.00 0.00 34.95 33.51 2k2e s ARG 138 CO 0.00 -0.43 1.32 1.03 0.02 0.00 0.00 175.30 177.24 2k2e s ARG 139 N -4.70 3.93 -0.07 3.54 3.00 -1.26 -4.61 118.95 118.79 2k2e s ARG 139 Ca 0.56 -2.34 0.05 0.00 0.00 0.00 0.00 55.73 54.00 2k2e s ARG 139 Cb -0.11 -5.00 -0.01 0.00 0.00 0.00 0.00 34.95 29.84 2k2e s ARG 139 CO 0.44 -1.75 -0.24 0.54 0.00 0.00 0.00 175.30 174.30 2k2e s VAL 140 N 1.84 2.17 -0.06 3.52 0.11 -1.26 -1.33 120.40 125.39 2k2e s VAL 140 Ca 0.39 -1.02 0.05 0.00 -2.93 0.00 0.00 61.98 58.47 2k2e s VAL 140 Cb -0.04 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.00 2k2e s VAL 140 CO -0.03 0.57 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.41 2k2e s VAL 141 N -0.11 2.51 -0.06 2.04 1.01 -0.83 -4.21 120.40 120.74 2k2e s VAL 141 Ca -0.05 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.08 2k2e s VAL 141 Cb -0.14 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2k2e s VAL 141 CO 0.04 0.57 -0.24 0.54 0.00 0.00 0.00 175.10 176.01 2k2e s VAL 142 N -0.35 1.98 -0.24 2.92 0.11 -1.05 -0.53 120.40 123.25 2k2e s VAL 142 Ca 0.02 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.07 2k2e s VAL 142 Cb -0.12 -1.69 0.05 0.00 -1.53 0.00 0.00 36.38 33.09 2k2e s VAL 142 CO 0.02 0.55 -0.12 0.00 -3.33 0.00 0.00 175.10 172.22 2k2e s ALA 143 N -0.06 2.54 -0.13 1.54 0.00 0.92 -1.19 121.76 125.38 2k2e s ALA 143 Ca -0.06 -1.60 -0.03 0.00 0.00 0.00 0.00 51.96 50.27 2k2e s ALA 143 Cb -0.14 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 2k2e s ALA 143 CO 0.04 -0.95 -0.03 -0.51 0.00 0.00 0.00 175.76 174.32 2k2e s LEU 144 N 1.18 3.35 -0.37 0.00 1.43 0.21 0.26 118.68 124.74 2k2e s LEU 144 Ca -0.04 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2k2e s LEU 144 Cb -0.18 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.33 2k2e s LEU 144 CO -0.07 0.25 0.15 -0.76 0.23 0.00 0.00 176.35 176.16 2k2e s LEU 145 N -0.13 4.72 -0.09 1.79 1.43 -0.63 -2.22 118.68 123.57 2k2e s LEU 145 Ca 0.03 -1.53 -0.23 0.00 -1.03 0.00 0.00 54.13 51.37 2k2e s LEU 145 Cb -0.13 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2k2e s LEU 145 CO 0.02 -0.43 0.69 -2.16 0.23 0.00 0.00 176.35 174.70 2k2e s PRO 146 N 1.30 4.40 0.00 1.29 0.05 -1.26 -3.73 135.00 137.04 2k2e s PRO 146 Ca 0.02 0.84 0.00 0.00 0.05 0.00 0.00 61.00 61.90 2k2e s PRO 146 Cb -0.21 -3.47 0.00 0.00 0.05 0.00 0.00 34.50 30.87 2k2e s PRO 146 CO -0.00 0.01 0.00 -0.40 0.05 0.00 0.00 177.00 176.66 2k2e n ASP 147 N 4.00 0.00 0.00 6.66 5.75 -1.26 -4.59 116.55 127.11 2k2e n ASP 147 Ca -0.01 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.33 2k2e n ASP 147 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2k2e n ASP 147 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k2e n GLY 148 N 5.00 1.00 0.07 6.12 0.00 -1.26 -4.79 105.19 111.33 2k2e n GLY 148 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2k2e n GLY 148 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k2e h ASP 149 N 0.00 0.00 -2.83 1.61 5.19 -1.96 -3.44 116.42 114.99 2k2e h ASP 149 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 2k2e h ASP 149 Cb 0.27 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 2k2e h ASP 149 CO 0.00 0.92 1.00 -0.44 -3.12 0.00 0.00 179.24 177.60 2k2e s SER 150 N -6.59 6.73 1.06 6.45 0.01 -1.26 -5.02 113.70 115.07 2k2e s SER 150 Ca 0.01 1.76 -0.16 0.00 1.31 0.00 0.00 55.95 58.87 2k2e s SER 150 Cb 0.09 -2.54 0.22 0.00 0.21 0.00 0.00 66.02 64.01 2k2e s SER 150 CO 0.81 -0.94 1.16 0.18 0.41 0.00 0.00 173.24 174.85 2k2e n LEU 151 N 7.24 0.00 -0.00 2.44 4.77 -1.26 -4.98 117.00 125.20 2k2e n LEU 151 Ca 0.16 -1.26 -0.15 0.00 -0.03 0.00 0.00 56.01 54.73 2k2e n LEU 151 Cb 0.45 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 2k2e n LEU 151 CO 0.60 -1.54 0.31 1.05 -1.33 0.00 0.00 177.39 176.48 2k2e h GLU 152 N 0.00 0.69 -3.80 3.23 9.09 -1.99 -3.47 114.58 118.33 2k2e h GLU 152 Ca -0.39 -0.55 -0.09 0.00 0.05 0.00 0.00 59.36 58.38 2k2e h GLU 152 Cb 1.09 0.11 -0.12 0.00 -1.65 0.00 0.00 28.75 28.18 2k2e h GLU 152 CO 0.27 1.17 -0.27 -1.01 0.05 0.00 0.00 179.01 179.22 2k2e s HIS 153 N -3.74 0.33 0.18 2.06 3.76 -1.26 -5.06 115.29 111.55 2k2e s HIS 153 Ca -0.09 -0.69 0.04 0.00 -0.15 0.00 0.00 55.06 54.17 2k2e s HIS 153 Cb 0.09 0.01 0.05 0.00 1.11 0.00 0.00 32.58 33.85 2k2e s HIS 153 CO 0.89 -0.75 1.42 1.25 -0.85 0.00 0.00 174.74 176.69 2k2e h HIS 154 N 2.49 0.24 -0.73 1.40 2.76 -2.03 -3.33 115.15 115.95 2k2e h HIS 154 Ca -0.31 -0.13 -0.71 0.00 -2.20 0.00 0.00 60.37 57.02 2k2e h HIS 154 Cb 1.23 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 30.08 2k2e h HIS 154 CO 0.39 0.91 2.47 0.72 -1.30 0.00 0.00 177.93 181.12 2k2e n HIS 155 N -3.68 4.01 -3.27 5.26 8.25 -1.26 -4.94 115.22 119.59 2k2e n HIS 155 Ca -0.03 -2.95 -0.38 0.00 -0.26 0.00 0.00 57.72 54.10 2k2e n HIS 155 Cb 0.77 -2.46 -0.06 0.00 1.12 0.00 0.00 29.99 29.36 2k2e n HIS 155 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k2e s HIS 156 N 2.99 3.51 -1.08 4.41 2.46 -1.25 -4.97 115.29 121.35 2k2e s HIS 156 Ca 0.48 0.92 0.15 0.00 0.47 0.00 0.00 55.06 57.09 2k2e s HIS 156 Cb 0.08 -2.59 0.65 0.00 -0.13 0.00 0.00 32.58 30.58 2k2e s HIS 156 CO -0.01 0.13 1.53 0.72 -2.47 0.00 0.00 174.74 174.65 2k2e n HIS 157 N 3.79 1.39 -1.64 3.88 8.25 -1.26 -5.18 115.22 124.44 2k2e n HIS 157 Ca -0.06 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.86 2k2e n HIS 157 Cb 0.51 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2k2e n HIS 157 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70