#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 3.84 0.51 0.03 2.20 -1.26 -5.06 119.74 120.00 2k2e s LYS 2 Ca 0.00 -0.26 -0.21 0.00 -0.36 0.00 0.00 55.97 55.14 2k2e s LYS 2 Cb 0.00 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 2k2e s LYS 2 CO 0.00 -0.31 1.16 -0.51 -0.36 0.00 0.00 175.35 175.33 2k2e s LEU 3 N 1.91 3.86 -0.98 5.43 1.43 -1.26 -4.94 118.68 124.13 2k2e s LEU 3 Ca 0.10 2.28 -0.19 0.00 -1.03 0.00 0.00 54.13 55.30 2k2e s LEU 3 Cb -0.16 -4.42 0.13 0.00 0.03 0.00 0.00 46.19 41.76 2k2e s LEU 3 CO 0.11 -1.14 1.21 -2.28 0.23 0.00 0.00 176.35 174.47 2k2e s HIS 4 N -1.63 3.10 -0.03 0.29 2.46 -1.26 -4.98 115.29 113.24 2k2e s HIS 4 Ca 0.69 -1.43 -0.36 0.00 0.47 0.00 0.00 55.06 54.43 2k2e s HIS 4 Cb -0.27 -4.34 -0.15 0.00 -0.13 0.00 0.00 32.58 27.69 2k2e s HIS 4 CO 0.32 -1.53 1.63 2.41 -2.47 0.00 0.00 174.74 175.10 2k2e n THR 5 N 5.55 0.22 -1.72 0.89 -1.04 -1.26 -4.90 114.28 112.02 2k2e n THR 5 Ca 0.27 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.81 2k2e n THR 5 Cb 0.48 -1.35 -0.03 0.00 -1.82 0.00 0.00 70.33 67.62 2k2e n THR 5 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2k2e n ASP 6 N 4.44 3.75 -4.65 8.00 9.92 -1.26 -4.85 116.55 131.90 2k2e n ASP 6 Ca 0.21 1.11 -0.56 0.00 -0.53 0.00 0.00 54.79 55.01 2k2e n ASP 6 Cb 0.23 -1.56 -0.07 0.00 -0.64 0.00 0.00 41.12 39.08 2k2e n ASP 6 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2k2e n PRO 7 N 3.01 1.00 0.30 -0.24 -0.02 -1.26 -4.88 135.00 132.90 2k2e n PRO 7 Ca 0.13 0.36 -0.17 0.00 -2.02 0.00 0.00 63.50 61.80 2k2e n PRO 7 Cb 0.35 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 2k2e n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e h ALA 8 N 5.73 -0.88 -2.67 3.55 0.00 -1.96 -3.40 119.26 119.64 2k2e h ALA 8 Ca -0.47 -0.16 -0.59 0.00 0.00 0.00 0.00 54.91 53.69 2k2e h ALA 8 Cb 1.34 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 2k2e h ALA 8 CO 0.87 -1.02 -0.25 0.95 0.00 0.00 0.00 179.25 179.80 2k2e s THR 9 N -6.01 5.10 0.22 0.00 -4.23 -1.26 -4.99 115.64 104.47 2k2e s THR 9 Ca -0.17 0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 60.64 2k2e s THR 9 Cb 0.05 -3.64 0.14 0.00 1.34 0.00 0.00 72.50 70.39 2k2e s THR 9 CO 0.62 0.21 1.77 0.00 -0.54 0.00 0.00 174.62 176.68 2k2e h ALA 10 N 3.43 1.05 -1.75 3.99 0.00 -1.86 -3.39 119.26 120.73 2k2e h ALA 10 Ca -0.48 -0.22 -0.55 0.00 0.00 0.00 0.00 54.91 53.66 2k2e h ALA 10 Cb 1.18 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2k2e h ALA 10 CO 0.68 0.64 1.32 -0.51 0.00 0.00 0.00 179.25 181.39 2k2e s LEU 11 N -9.57 3.44 -0.71 0.00 1.43 -1.14 -2.31 118.68 109.82 2k2e s LEU 11 Ca -0.12 1.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.76 2k2e s LEU 11 Cb 0.15 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 2k2e s LEU 11 CO 0.83 -1.98 2.01 0.20 0.23 0.00 0.00 176.35 177.65 2k2e s ASN 12 N 7.08 4.99 -0.12 2.29 0.02 -1.25 -4.94 114.94 123.01 2k2e s ASN 12 Ca 0.78 0.07 -0.19 0.00 -1.02 0.00 0.00 52.86 52.50 2k2e s ASN 12 Cb -0.20 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.50 2k2e s ASN 12 CO 0.30 -2.71 0.50 -0.89 0.02 0.00 0.00 177.10 174.32 2k2e s THR 13 N 10.35 5.16 -0.49 1.60 2.01 -1.26 -4.84 115.64 128.17 2k2e s THR 13 Ca 0.74 1.00 -0.28 0.00 0.31 0.00 0.00 61.69 63.46 2k2e s THR 13 Cb -0.11 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.57 2k2e s THR 13 CO 0.13 0.30 1.43 -0.69 -0.69 0.00 0.00 174.62 175.10 2k2e s VAL 14 N 0.78 3.82 0.06 3.82 1.01 -1.26 -0.50 120.40 128.14 2k2e s VAL 14 Ca 0.27 0.77 -0.09 0.00 0.00 0.00 0.00 61.98 62.93 2k2e s VAL 14 Cb -0.15 -4.30 -0.31 0.00 0.00 0.00 0.00 36.38 31.62 2k2e s VAL 14 CO 0.11 -0.96 1.09 0.74 0.00 0.00 0.00 175.10 176.09 2k2e h THR 15 N 6.45 1.42 -2.88 3.92 2.02 -0.46 -3.46 112.91 119.91 2k2e h THR 15 Ca -0.27 -2.91 -0.16 0.00 0.77 0.00 0.00 66.41 63.84 2k2e h THR 15 Cb 1.10 2.96 -0.28 0.00 -1.74 0.00 0.00 68.15 70.19 2k2e h THR 15 CO 1.13 0.86 -0.41 0.00 0.37 0.00 0.00 175.52 177.48 2k2e s ALA 16 N -2.66 -0.76 -0.45 6.16 0.00 -1.13 -5.02 121.76 117.90 2k2e s ALA 16 Ca -0.06 1.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 2k2e s ALA 16 Cb 0.06 -0.73 0.06 0.00 0.00 0.00 0.00 23.12 22.51 2k2e s ALA 16 CO 0.91 -0.22 0.37 -0.47 0.00 0.00 0.00 175.76 176.34 2k2e s TYR 17 N 1.23 3.25 0.05 0.00 6.14 -1.26 -0.97 117.35 125.79 2k2e s TYR 17 Ca -0.09 -0.88 0.00 0.00 0.64 0.00 0.00 57.07 56.74 2k2e s TYR 17 Cb -0.09 -3.02 0.01 0.00 0.42 0.00 0.00 41.96 39.27 2k2e s TYR 17 CO -0.09 -0.75 0.07 0.41 0.64 0.00 0.00 175.55 175.82 2k2e n GLY 18 N 5.18 1.38 0.44 8.97 0.00 -0.24 -5.03 105.19 115.89 2k2e n GLY 18 Ca -0.12 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.66 2k2e n GLY 18 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k2e h ASP 19 N -0.02 -0.93 -0.40 1.61 5.19 -1.97 -3.37 116.42 116.53 2k2e h ASP 19 Ca -0.02 0.02 -0.27 0.00 -0.62 0.00 0.00 57.03 56.14 2k2e h ASP 19 Cb 0.09 0.24 -0.39 0.00 0.18 0.00 0.00 39.33 39.46 2k2e h ASP 19 CO 0.03 -0.62 -1.04 0.61 -3.12 0.00 0.00 179.24 175.10 2k2e n GLY 20 N -1.34 2.52 3.31 2.75 0.00 -1.26 -4.30 105.19 106.86 2k2e n GLY 20 Ca -0.15 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.18 -0.39 -0.22 1.61 1.13 -1.26 -4.59 117.35 110.45 2k2e s TYR 21 Ca 0.32 0.87 -0.02 0.00 -1.41 0.00 0.00 57.07 56.83 2k2e s TYR 21 Cb 0.35 0.16 0.01 0.00 -1.10 0.00 0.00 41.96 41.37 2k2e s TYR 21 CO -0.05 -0.31 -0.08 0.42 -2.51 0.00 0.00 175.55 173.03 2k2e s ILE 22 N -0.37 3.00 -0.40 -3.49 1.01 0.55 -1.08 121.20 120.42 2k2e s ILE 22 Ca -0.05 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 2k2e s ILE 22 Cb -0.03 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 40.05 2k2e s ILE 22 CO 0.02 0.38 0.54 -0.70 0.00 0.00 0.00 174.94 175.18 2k2e s GLU 23 N 1.40 3.37 -0.29 2.79 2.12 -0.15 0.08 118.70 128.03 2k2e s GLU 23 Ca 0.04 -0.38 -0.07 0.00 0.36 0.00 0.00 54.97 54.92 2k2e s GLU 23 Cb -0.15 -3.90 0.01 0.00 0.26 0.00 0.00 34.13 30.35 2k2e s GLU 23 CO -0.05 -0.82 0.07 0.08 -0.54 0.00 0.00 175.26 174.00 2k2e s VAL 24 N 2.48 3.94 0.00 3.70 1.01 0.29 0.32 120.40 132.14 2k2e s VAL 24 Ca 0.18 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2k2e s VAL 24 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2k2e s VAL 24 CO 0.15 0.10 0.00 -3.20 0.00 0.00 0.00 175.10 172.15 2k2e n ASN 25 N 4.86 0.00 0.00 3.32 4.05 0.35 -2.01 115.26 125.83 2k2e n ASN 25 Ca -0.15 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.88 2k2e n ASN 25 Cb 0.48 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.49 2k2e n ASN 25 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 2k2e n GLN 26 N 0.00 0.00 -2.35 1.20 7.27 -1.26 -4.85 117.38 117.38 2k2e n GLN 26 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 2k2e n GLN 26 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 2k2e n GLN 26 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2k2e s VAL 27 N -0.33 3.95 -0.25 1.69 1.01 -0.85 -4.98 120.40 120.64 2k2e s VAL 27 Ca 0.00 1.34 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 2k2e s VAL 27 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2k2e s VAL 27 CO 0.00 0.04 0.39 -0.13 0.00 0.00 0.00 175.10 175.40 2k2e s ARG 28 N 1.86 4.05 -0.34 2.72 0.52 -1.26 -0.55 118.95 125.95 2k2e s ARG 28 Ca 0.60 0.11 -0.11 0.00 -0.52 0.00 0.00 55.73 55.81 2k2e s ARG 28 Cb -0.29 -3.63 0.01 0.00 0.52 0.00 0.00 34.95 31.56 2k2e s ARG 28 CO 0.26 -0.24 0.19 -0.06 0.02 0.00 0.00 175.30 175.47 2k2e s PHE 29 N 1.94 3.21 -0.53 -0.53 0.08 0.11 -4.91 117.98 117.36 2k2e s PHE 29 Ca 0.16 -0.69 0.09 0.00 0.12 0.00 0.00 56.93 56.62 2k2e s PHE 29 Cb -0.16 -2.41 0.53 0.00 -0.57 0.00 0.00 43.02 40.41 2k2e s PHE 29 CO 0.09 -0.53 1.31 -1.13 -0.10 0.00 0.00 175.22 174.86 2k2e n SER 30 N 5.01 4.05 -4.19 1.36 3.41 -1.26 -0.33 113.62 121.66 2k2e n SER 30 Ca -0.13 -2.60 -0.18 0.00 -0.26 0.00 0.00 58.87 55.71 2k2e n SER 30 Cb 0.48 -0.62 -0.12 0.00 -0.26 0.00 0.00 64.21 63.69 2k2e n SER 30 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2k2e s HIS 31 N -2.13 1.25 0.31 7.33 5.04 -1.26 -4.92 115.29 120.91 2k2e s HIS 31 Ca 0.35 -0.51 -0.29 0.00 -1.54 0.00 0.00 55.06 53.07 2k2e s HIS 31 Cb 0.27 -0.69 -0.12 0.00 0.04 0.00 0.00 32.58 32.08 2k2e s HIS 31 CO 0.10 0.07 1.51 0.00 -2.34 0.00 0.00 174.74 174.09 2k2e n ALA 32 N 1.00 2.17 -2.65 1.58 0.00 -1.26 -4.76 120.51 116.59 2k2e n ALA 32 Ca -0.19 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 2k2e n ALA 32 Cb 0.55 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 2k2e n ALA 32 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2k2e s ILE 33 N -0.40 0.15 -0.08 0.00 -4.36 -1.04 -0.26 121.20 115.20 2k2e s ILE 33 Ca 0.61 -1.21 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 2k2e s ILE 33 Cb -0.52 -0.87 0.02 0.00 1.25 0.00 0.00 42.46 42.35 2k2e s ILE 33 CO 0.54 -0.67 -0.05 0.00 0.24 0.00 0.00 174.94 175.00 2k2e s ALA 34 N -2.60 0.98 0.13 2.27 0.00 0.51 -0.97 121.76 122.08 2k2e s ALA 34 Ca -0.05 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 2k2e s ALA 34 Cb -0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2k2e s ALA 34 CO -0.05 -0.24 0.21 -0.59 0.00 0.00 0.00 175.76 175.09 2k2e s PHE 35 N 1.41 0.36 0.25 0.00 -0.71 -0.49 -0.60 117.98 118.21 2k2e s PHE 35 Ca -0.02 -0.76 0.06 0.00 -1.04 0.00 0.00 56.93 55.17 2k2e s PHE 35 Cb -0.13 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.51 2k2e s PHE 35 CO -0.03 -0.62 -0.07 0.00 -1.34 0.00 0.00 175.22 173.15 2k2e s ALA 36 N -3.94 2.18 -0.65 1.99 0.00 -1.26 -0.97 121.76 119.11 2k2e s ALA 36 Ca 0.13 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2k2e s ALA 36 Cb 0.04 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2k2e s ALA 36 CO -0.04 -0.06 0.45 -0.35 0.00 0.00 0.00 175.76 175.76 2k2e n PRO 37 N -0.51 0.67 -2.84 0.00 -0.04 -1.26 -3.84 135.00 127.19 2k2e n PRO 37 Ca -0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.42 2k2e n PRO 37 Cb 0.63 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2k2e n PRO 37 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2k2e s GLU 38 N -0.53 0.26 0.00 0.54 2.12 -0.98 -2.87 118.70 117.24 2k2e s GLU 38 Ca 0.00 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.25 2k2e s GLU 38 Cb 0.00 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.42 2k2e s GLU 38 CO 0.00 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 2k2e n GLY 39 N 3.84 0.12 3.96 -1.50 0.00 -1.24 -5.06 105.19 105.31 2k2e n GLY 39 Ca 0.06 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.29 2k2e n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2e s PRO 40 N -2.00 2.79 -0.22 1.61 0.04 -1.26 -4.82 135.00 131.14 2k2e s PRO 40 Ca 0.00 -0.61 -0.18 0.00 0.04 0.00 0.00 61.00 60.25 2k2e s PRO 40 Cb 0.00 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 2k2e s PRO 40 CO 0.00 -0.52 0.52 0.08 0.04 0.00 0.00 177.00 177.12 2k2e s VAL 41 N -2.68 5.09 -0.02 -0.36 1.01 -1.26 -4.41 120.40 117.77 2k2e s VAL 41 Ca 0.53 0.94 -0.12 0.00 0.00 0.00 0.00 61.98 63.33 2k2e s VAL 41 Cb -0.10 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2k2e s VAL 41 CO 0.38 0.15 0.34 0.00 0.00 0.00 0.00 175.10 175.97 2k2e s ALA 42 N 1.85 3.75 -0.25 5.51 0.00 0.23 -4.94 121.76 127.91 2k2e s ALA 42 Ca 0.23 -0.35 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 2k2e s ALA 42 Cb -0.15 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.70 2k2e s ALA 42 CO 0.09 0.53 0.86 -1.54 0.00 0.00 0.00 175.76 175.70 2k2e s SER 43 N -1.16 6.85 -0.33 0.00 1.04 -1.26 -0.36 113.70 118.48 2k2e s SER 43 Ca 0.23 1.05 -0.14 0.00 0.48 0.00 0.00 55.95 57.57 2k2e s SER 43 Cb -0.15 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 2k2e s SER 43 CO 0.12 -0.55 0.30 0.86 0.98 0.00 0.00 173.24 174.95 2k2e s TRP 44 N 2.91 3.22 0.00 5.02 -0.00 0.64 -4.90 118.94 125.82 2k2e s TRP 44 Ca 0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 56.10 56.44 2k2e s TRP 44 Cb -0.15 -2.56 0.00 0.00 -0.00 0.00 0.00 33.47 30.75 2k2e s TRP 44 CO 0.08 -0.35 1.26 -0.35 -0.00 0.00 0.00 176.95 177.58 2k2e n PRO 45 N 5.25 0.81 -3.87 5.86 -0.04 -1.26 -4.18 135.00 137.57 2k2e n PRO 45 Ca -0.11 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.00 2k2e n PRO 45 Cb 0.50 -1.10 -0.08 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.30 5.25 -0.08 0.52 1.01 -1.26 -4.97 120.40 121.17 2k2e s VAL 46 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2k2e s VAL 46 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2k2e s VAL 46 CO 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 175.10 175.52 2k2e n GLN 47 N 2.97 0.19 -4.33 2.72 6.02 -1.26 -4.57 117.38 119.12 2k2e n GLN 47 Ca -0.17 0.06 -0.28 0.00 -0.01 0.00 0.00 57.00 56.59 2k2e n GLN 47 Cb 0.53 -1.02 -0.11 0.00 1.02 0.00 0.00 30.24 30.66 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 -2.16 1.76 0.00 -1.09 0.52 -1.26 -5.00 118.95 111.72 2k2e s ARG 48 Ca -0.11 -1.29 0.05 0.00 -0.52 0.00 0.00 55.73 53.86 2k2e s ARG 48 Cb 0.03 -2.05 0.24 0.00 0.52 0.00 0.00 34.95 33.69 2k2e s ARG 48 CO 0.17 0.45 1.03 -2.30 0.02 0.00 0.00 175.30 174.67 2k2e n PRO 49 N 0.51 0.05 0.00 3.54 -0.02 -1.26 -0.85 135.00 136.97 2k2e n PRO 49 Ca -0.14 0.28 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 2k2e n PRO 49 Cb 0.54 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.73 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 -1.33 3.11 0.05 3.55 0.00 -1.26 -4.00 120.51 120.63 2k2e n ALA 50 Ca 0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 53.44 52.88 2k2e n ALA 50 Cb 0.04 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 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 2.35 0.00 -1.72 0.00 3.32 -1.41 -3.46 116.42 115.50 2k2e h ASP 51 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 2k2e h ASP 51 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2k2e h ASP 51 CO 0.00 0.82 1.33 -0.38 -1.72 0.00 0.00 179.24 179.29 2k2e n ILE 52 N -3.17 0.39 -4.50 0.35 5.41 -1.26 -4.93 119.36 111.65 2k2e n ILE 52 Ca -0.05 -0.27 -0.24 0.00 1.00 0.00 0.00 62.75 63.19 2k2e n ILE 52 Cb 0.90 -2.04 -0.09 0.00 -0.71 0.00 0.00 39.64 37.71 2k2e n ILE 52 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2k2e s THR 53 N 6.46 0.82 0.18 1.39 -4.23 -1.26 -5.03 115.64 113.98 2k2e s THR 53 Ca 1.01 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.39 2k2e s THR 53 Cb -0.62 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 70.81 2k2e s THR 53 CO 0.45 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.35 2k2e h ALA 54 N 1.89 0.72 -0.72 3.99 0.00 -1.90 -0.16 119.26 123.08 2k2e h ALA 54 Ca -0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k2e h ALA 54 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2k2e h ALA 54 CO 0.62 0.03 0.43 0.77 0.00 0.00 0.00 179.25 181.10 2k2e h SER 55 N 0.64 0.87 0.62 0.00 0.02 -1.97 -1.15 113.55 112.57 2k2e h SER 55 Ca 0.23 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 2k2e h SER 55 Cb 0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2k2e h SER 55 CO -0.11 0.68 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.75 2k2e h LEU 56 N 0.98 0.00 -0.65 5.07 3.38 -1.80 -2.45 115.31 119.84 2k2e h LEU 56 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 2k2e h LEU 56 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2k2e h LEU 56 CO -0.05 0.43 -0.67 -0.07 0.09 0.00 0.00 178.44 178.17 2k2e h LEU 57 N 0.00 0.01 -0.49 1.67 3.38 -0.36 0.22 115.31 119.73 2k2e h LEU 57 Ca -0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2k2e h LEU 57 Cb 0.86 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2k2e h LEU 57 CO 0.06 0.68 0.17 1.56 0.09 0.00 0.00 178.44 180.99 2k2e h GLN 58 N 0.00 0.75 -0.51 1.13 4.20 -0.77 0.39 115.11 120.30 2k2e h GLN 58 Ca -0.01 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 2k2e h GLN 58 Cb 1.19 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 2k2e h GLN 58 CO 0.09 0.70 0.06 1.96 -0.67 0.00 0.00 178.83 180.97 2k2e h GLN 59 N 0.66 0.86 -0.42 1.46 4.20 -1.32 -2.04 115.11 118.51 2k2e h GLN 59 Ca 0.16 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2k2e h GLN 59 Cb 0.25 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2k2e h GLN 59 CO -0.01 0.86 0.16 0.00 -0.67 0.00 0.00 178.83 179.18 2k2e h ALA 60 N 0.97 1.50 0.00 3.87 0.00 -0.64 -1.04 119.26 123.92 2k2e h ALA 60 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k2e h ALA 60 Cb 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k2e h ALA 60 CO 0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2k2e n ALA 61 N -2.47 2.59 -1.05 0.00 0.00 0.10 -4.79 120.51 114.89 2k2e n ALA 61 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 2k2e n ALA 61 Cb 0.15 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 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 0.82 0.51 0.00 0.00 0.00 -0.39 -4.60 105.19 101.53 2k2e n GLY 62 Ca 0.21 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.20 0.00 -0.16 0.99 4.77 -0.78 -1.44 117.00 120.19 2k2e n LEU 63 Ca -0.02 0.21 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 2k2e n LEU 63 Cb 0.14 -0.21 0.46 0.00 -2.33 0.00 0.00 43.42 41.47 2k2e n LEU 63 CO 0.03 -0.08 0.72 0.00 -1.33 0.00 0.00 177.39 176.73 2k2e n ALA 64 N -1.21 2.99 -2.45 -1.18 0.00 -1.26 -4.89 120.51 112.50 2k2e n ALA 64 Ca 0.10 -0.33 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 2k2e n ALA 64 Cb 0.13 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.58 1.60 -0.34 0.00 2.56 -0.52 -5.12 118.70 114.31 2k2e s GLU 65 Ca 0.24 -1.68 -0.06 0.00 0.00 0.00 0.00 54.97 53.47 2k2e s GLU 65 Cb 0.19 -1.74 0.04 0.00 2.00 0.00 0.00 34.13 34.63 2k2e s GLU 65 CO 0.53 0.34 0.10 0.08 -0.56 0.00 0.00 175.26 175.74 2k2e s VAL 66 N -2.30 3.71 0.29 3.70 1.01 -1.26 -4.96 120.40 120.59 2k2e s VAL 66 Ca 0.27 -1.17 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2k2e s VAL 66 Cb -0.06 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.24 2k2e s VAL 66 CO 0.13 -0.18 1.69 0.58 0.00 0.00 0.00 175.10 177.31 2k2e h VAL 67 N 6.20 1.31 -0.64 2.92 2.07 -1.92 -3.18 116.25 123.02 2k2e h VAL 67 Ca -0.23 -1.53 -0.61 0.00 0.82 0.00 0.00 66.70 65.15 2k2e h VAL 67 Cb 1.08 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 32.45 2k2e h VAL 67 CO 0.60 0.46 2.18 0.54 0.02 0.00 0.00 177.57 181.37 2k2e n ARG 68 N -4.02 3.65 0.03 1.57 1.74 -1.26 -4.62 116.66 113.74 2k2e n ARG 68 Ca -0.02 -2.58 -0.11 0.00 -0.77 0.00 0.00 57.85 54.37 2k2e n ARG 68 Cb 0.48 -2.52 -0.08 0.00 -1.02 0.00 0.00 32.46 29.32 2k2e n ARG 68 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2k2e h ASP 69 N 4.26 -0.13 -3.92 0.55 3.58 -1.98 -3.45 116.42 115.33 2k2e h ASP 69 Ca 0.64 -0.44 -0.53 0.00 0.42 0.00 0.00 57.03 57.12 2k2e h ASP 69 Cb 0.52 0.03 0.08 0.00 1.72 0.00 0.00 39.33 41.68 2k2e h ASP 69 CO 1.32 0.47 0.66 -2.84 -2.88 0.00 0.00 179.24 175.97 2k2e s PRO 70 N -3.35 4.13 0.00 0.28 0.02 -1.26 -4.92 135.00 129.90 2k2e s PRO 70 Ca -0.14 2.28 0.27 0.00 0.02 0.00 0.00 61.00 63.43 2k2e s PRO 70 Cb 0.00 -2.91 0.81 0.00 0.02 0.00 0.00 34.50 32.42 2k2e s PRO 70 CO 0.52 -0.40 1.63 1.28 -0.33 0.00 0.00 177.00 179.70 2k2e n LEU 71 N 0.43 0.32 -4.51 -5.54 7.99 -1.26 -4.44 117.00 110.00 2k2e n LEU 71 Ca 0.02 0.18 -0.43 0.00 -0.01 0.00 0.00 56.01 55.76 2k2e n LEU 71 Cb 0.42 -0.34 -0.01 0.00 -0.11 0.00 0.00 43.42 43.38 2k2e n LEU 71 CO 0.59 0.08 1.51 0.00 -1.51 0.00 0.00 177.39 178.06 2k2e s ALA 72 N -2.97 3.52 -1.00 -1.18 0.00 -1.26 -4.77 121.76 114.11 2k2e s ALA 72 Ca 0.13 -2.98 0.24 0.00 0.00 0.00 0.00 51.96 49.34 2k2e s ALA 72 Cb 0.18 -4.32 1.01 0.00 0.00 0.00 0.00 23.12 19.99 2k2e s ALA 72 CO 0.62 -3.08 1.76 1.19 0.00 0.00 0.00 175.76 176.25 2k2e n PHE 73 N 7.05 0.01 0.26 0.00 3.72 -1.26 -2.03 117.46 125.21 2k2e n PHE 73 Ca 0.38 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.90 2k2e n PHE 73 Cb 0.46 -0.51 0.69 0.00 -0.94 0.00 0.00 39.48 39.18 2k2e n PHE 73 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2k2e h LEU 74 N 0.00 0.00 0.04 4.37 3.38 -1.97 -2.47 115.31 118.67 2k2e h LEU 74 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2k2e h LEU 74 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2k2e h LEU 74 CO 0.00 0.13 -1.31 -0.78 0.09 0.00 0.00 178.44 176.58 2k2e h ASP 75 N 0.00 0.14 -4.52 -0.43 3.58 -1.82 -3.50 116.42 109.87 2k2e h ASP 75 Ca -0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2k2e h ASP 75 Cb 0.40 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2k2e h ASP 75 CO 0.02 1.15 -0.59 -0.62 -2.88 0.00 0.00 179.24 176.32 2k2e n GLU 76 N -3.33 -2.21 0.25 0.28 1.02 -0.93 -4.94 120.64 110.79 2k2e n GLU 76 Ca -0.08 1.97 0.15 0.00 -0.02 0.00 0.00 57.16 59.17 2k2e n GLU 76 Cb 1.00 -4.18 0.48 0.00 -0.02 0.00 0.00 31.44 28.72 2k2e n GLU 76 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2k2e h PRO 77 N 1.90 0.00 -5.49 3.49 0.13 -1.86 -3.43 132.00 126.74 2k2e h PRO 77 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 2k2e h PRO 77 Cb 0.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.16 2k2e h PRO 77 CO 0.09 0.02 -0.63 -2.00 -0.23 0.00 0.00 178.00 175.25 2k2e s GLU 78 N -3.49 3.55 0.41 0.86 2.56 -1.26 -4.96 118.70 116.37 2k2e s GLU 78 Ca 0.03 -0.45 0.14 0.00 0.00 0.00 0.00 54.97 54.69 2k2e s GLU 78 Cb 0.08 -2.95 0.87 0.00 2.00 0.00 0.00 34.13 34.12 2k2e s GLU 78 CO 0.60 0.38 1.91 0.00 -0.56 0.00 0.00 175.26 177.59 2k2e h ALA 79 N 6.26 1.54 0.00 6.30 0.00 -1.99 -3.46 119.26 127.91 2k2e h ALA 79 Ca -0.38 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2k2e h ALA 79 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k2e h ALA 79 CO 0.62 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.63 2k2e n GLY 80 N -0.74 1.52 0.49 0.00 0.00 -1.26 -4.99 105.19 100.21 2k2e n GLY 80 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 81 N -0.87 2.93 -3.19 4.61 0.00 -1.26 -4.72 120.51 118.01 2k2e n ALA 81 Ca 0.00 -0.52 -0.46 0.00 0.00 0.00 0.00 53.44 52.47 2k2e n ALA 81 Cb 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 2k2e n ALA 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k2e s GLY 82 N -2.27 2.05 0.00 0.00 0.00 -1.26 -4.75 107.32 101.10 2k2e s GLY 82 Ca 0.28 -2.41 0.26 0.00 0.00 0.00 0.00 44.72 42.85 2k2e s GLY 82 CO 0.44 1.20 1.87 0.00 0.00 0.00 0.00 173.10 176.60 2k2e n ALA 83 N 5.33 2.26 -2.80 3.20 0.00 -1.26 -4.71 120.51 122.52 2k2e n ALA 83 Ca -0.13 -0.11 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 2k2e n ALA 83 Cb 0.41 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.79 3.34 0.65 0.00 1.81 -1.26 -4.99 118.95 115.71 2k2e s ARG 84 Ca 0.19 -0.26 0.44 0.00 -1.72 0.00 0.00 55.73 54.38 2k2e s ARG 84 Cb 0.17 -3.05 2.34 0.00 -0.45 0.00 0.00 34.95 33.96 2k2e s ARG 84 CO 0.44 0.69 2.33 -1.35 -0.68 0.00 0.00 175.30 176.74 2k2e h PRO 85 N 5.25 0.00 0.00 3.54 0.11 -1.99 -0.00 132.00 138.91 2k2e h PRO 85 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2k2e h PRO 85 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k2e h PRO 85 CO 0.58 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 2k2e n ALA 86 N -2.07 2.62 -3.11 -0.75 0.00 -1.26 -4.89 120.51 111.05 2k2e n ALA 86 Ca -0.03 -0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 2k2e n ALA 86 Cb 0.09 -1.51 0.05 0.00 0.00 0.00 0.00 19.45 18.08 2k2e n ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k2e n ASN 87 N -1.07 -5.37 -4.74 0.00 4.13 -0.01 -4.80 115.26 103.40 2k2e n ASN 87 Ca 0.21 -0.33 -0.42 0.00 1.68 0.00 0.00 54.58 55.73 2k2e n ASN 87 Cb 0.14 -4.10 -0.02 0.00 -1.54 0.00 0.00 39.78 34.26 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k2e s ALA 88 N -3.15 3.67 0.50 5.41 0.00 -1.26 -4.95 121.76 121.99 2k2e s ALA 88 Ca 0.35 1.34 -0.19 0.00 0.00 0.00 0.00 51.96 53.46 2k2e s ALA 88 Cb -0.15 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.31 2k2e s ALA 88 CO 0.43 -0.76 1.03 -2.14 0.00 0.00 0.00 175.76 174.33 2k2e s PRO 89 N 0.02 3.75 0.09 0.00 0.02 -1.26 -4.58 135.00 133.03 2k2e s PRO 89 Ca 0.62 1.29 -0.17 0.00 0.02 0.00 0.00 61.00 62.76 2k2e s PRO 89 Cb -0.42 -2.09 -0.07 0.00 0.02 0.00 0.00 34.50 31.93 2k2e s PRO 89 CO 0.40 -0.46 1.49 0.93 -0.33 0.00 0.00 177.00 179.03 2k2e h GLU 90 N 1.33 0.54 -4.58 5.54 4.39 -1.70 -3.32 114.58 116.77 2k2e h GLU 90 Ca -0.49 -0.20 -0.42 0.00 0.34 0.00 0.00 59.36 58.59 2k2e h GLU 90 Cb 1.21 -0.03 -0.31 0.00 -0.10 0.00 0.00 28.75 29.53 2k2e h GLU 90 CO 0.59 0.74 -0.79 0.54 -1.16 0.00 0.00 179.01 178.93 2k2e s VAL 91 N -4.79 0.77 -0.17 3.13 0.11 -1.05 -0.36 120.40 118.02 2k2e s VAL 91 Ca -0.13 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 2k2e s VAL 91 Cb 0.08 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2k2e s VAL 91 CO 0.77 0.24 -0.17 -0.22 -3.33 0.00 0.00 175.10 172.39 2k2e s LEU 92 N 0.17 2.31 -0.25 2.54 2.96 0.13 -2.02 118.68 124.52 2k2e s LEU 92 Ca -0.03 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.23 2k2e s LEU 92 Cb -0.08 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 2k2e s LEU 92 CO 0.00 0.03 0.10 -0.76 -1.32 0.00 0.00 176.35 174.40 2k2e s LEU 93 N 1.14 3.64 -0.27 -0.68 1.43 0.51 -0.23 118.68 124.22 2k2e s LEU 93 Ca 0.01 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.89 2k2e s LEU 93 Cb -0.14 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2k2e s LEU 93 CO -0.07 -0.02 0.13 -0.69 0.23 0.00 0.00 176.35 175.93 2k2e s VAL 94 N 1.55 4.77 -0.59 -1.59 1.01 -0.15 -0.17 120.40 125.23 2k2e s VAL 94 Ca 0.06 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 2k2e s VAL 94 Cb -0.15 -3.26 0.13 0.00 0.00 0.00 0.00 36.38 33.10 2k2e s VAL 94 CO 0.05 0.29 0.60 -0.83 0.00 0.00 0.00 175.10 175.21 2k2e s GLY 95 N 1.68 2.05 -0.42 4.51 0.00 0.11 -0.68 107.32 114.57 2k2e s GLY 95 Ca 0.07 -2.53 0.02 0.00 0.00 0.00 0.00 44.72 42.28 2k2e s GLY 95 CO 0.07 1.33 0.19 -1.59 0.00 0.00 0.00 173.10 173.11 2k2e s THR 96 N 1.79 1.71 -0.86 0.90 2.01 0.59 -2.61 115.64 119.17 2k2e s THR 96 Ca 0.08 -2.51 0.18 0.00 0.31 0.00 0.00 61.69 59.75 2k2e s THR 96 Cb -0.26 -2.22 -0.20 0.00 0.01 0.00 0.00 72.50 69.83 2k2e s THR 96 CO 0.02 -0.80 0.78 0.61 -0.69 0.00 0.00 174.62 174.55 2k2e n GLY 97 N 3.76 -0.76 0.09 4.40 0.00 -1.26 -3.59 105.19 107.84 2k2e n GLY 97 Ca 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 2k2e n GLY 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k2e h ARG 98 N 0.00 0.00 -1.04 1.61 2.43 -1.91 -3.44 114.38 112.04 2k2e h ARG 98 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2k2e h ARG 98 Cb 0.45 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.79 2k2e h ARG 98 CO 0.00 0.34 -0.43 0.50 -1.51 0.00 0.00 179.97 178.87 2k2e s ARG 99 N -2.88 0.70 -0.30 0.20 3.52 -1.26 -4.78 118.95 114.16 2k2e s ARG 99 Ca -0.03 0.06 -0.28 0.00 -0.13 0.00 0.00 55.73 55.35 2k2e s ARG 99 Cb 0.09 0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.58 2k2e s ARG 99 CO 0.81 -1.13 1.95 -0.65 -0.81 0.00 0.00 175.30 175.47 2k2e s GLN 100 N 2.25 3.22 -0.23 5.12 1.11 -1.24 -4.94 119.66 124.96 2k2e s GLN 100 Ca 0.13 1.61 -0.07 0.00 0.01 0.00 0.00 55.36 57.05 2k2e s GLN 100 Cb -0.07 -4.27 -0.03 0.00 -1.01 0.00 0.00 33.01 27.63 2k2e s GLN 100 CO -0.15 -1.99 0.06 -1.58 0.01 0.00 0.00 175.29 171.64 2k2e s HIS 101 N 7.53 3.10 0.13 0.91 2.46 -1.26 -5.08 115.29 123.07 2k2e s HIS 101 Ca 0.87 -0.34 -0.30 0.00 0.47 0.00 0.00 55.06 55.76 2k2e s HIS 101 Cb -0.26 -2.19 -0.06 0.00 -0.13 0.00 0.00 32.58 29.94 2k2e s HIS 101 CO 0.34 -0.25 1.07 -0.51 -2.47 0.00 0.00 174.74 172.92 2k2e s LEU 102 N 1.31 4.46 -0.05 8.88 2.01 -1.26 -4.91 118.68 129.12 2k2e s LEU 102 Ca 0.05 1.97 -0.14 0.00 0.01 0.00 0.00 54.13 56.02 2k2e s LEU 102 Cb -0.15 -3.59 -0.05 0.00 0.01 0.00 0.00 46.19 42.41 2k2e s LEU 102 CO 0.03 -0.23 0.38 -0.76 1.01 0.00 0.00 176.35 176.78 2k2e s LEU 103 N 0.07 4.41 0.43 1.79 1.43 -1.26 -5.08 118.68 120.47 2k2e s LEU 103 Ca 0.51 0.83 0.08 0.00 -1.03 0.00 0.00 54.13 54.51 2k2e s LEU 103 Cb -0.27 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 2k2e s LEU 103 CO 0.32 0.25 0.41 -0.83 0.23 0.00 0.00 176.35 176.74 2k2e s GLY 104 N -0.61 2.13 0.27 -3.19 0.00 -1.26 -5.00 107.32 99.66 2k2e s GLY 104 Ca 0.22 -1.83 -0.00 0.00 0.00 0.00 0.00 44.72 43.11 2k2e s GLY 104 CO 0.11 -1.70 1.69 -2.55 0.00 0.00 0.00 173.10 170.64 2k2e h PRO 105 N 0.94 0.33 -0.55 2.90 0.11 -1.98 -1.10 132.00 132.65 2k2e h PRO 105 Ca -0.40 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.78 2k2e h PRO 105 Cb 1.27 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 2k2e h PRO 105 CO 0.56 0.22 0.14 1.49 -0.21 0.00 0.00 178.00 180.20 2k2e h GLU 106 N 0.34 0.28 0.00 1.05 4.57 -2.00 0.12 114.58 118.95 2k2e h GLU 106 Ca 0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 2k2e h GLU 106 Cb 0.91 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2k2e h GLU 106 CO -0.53 0.19 0.00 1.04 -1.18 0.00 0.00 179.01 178.53 2k2e n GLN 107 N -5.08 0.13 -0.06 1.92 6.02 -0.43 -2.97 117.38 116.91 2k2e n GLN 107 Ca 0.07 0.21 0.04 0.00 -0.01 0.00 0.00 57.00 57.31 2k2e n GLN 107 Cb 0.27 -1.68 0.05 0.00 1.02 0.00 0.00 30.24 29.90 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 -1.91 1.17 0.14 5.09 0.24 -0.59 -4.03 118.33 118.45 2k2e n VAL 108 Ca 0.05 -1.31 -0.13 0.00 -2.04 0.00 0.00 64.34 60.90 2k2e n VAL 108 Cb 0.31 0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 32.89 2k2e n VAL 108 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2k2e h ARG 109 N 0.00 -0.51 0.00 7.34 3.08 -0.69 0.25 114.38 123.84 2k2e h ARG 109 Ca 0.00 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2k2e h ARG 109 Cb 0.78 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 2k2e h ARG 109 CO 0.00 -0.34 -0.14 -1.35 -1.07 0.00 0.00 179.97 177.07 2k2e h PRO 110 N -0.53 0.00 0.06 0.04 0.11 -1.87 -2.91 132.00 126.90 2k2e h PRO 110 Ca 0.01 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 2k2e h PRO 110 Cb 0.53 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.65 2k2e h PRO 110 CO -0.12 0.14 -0.46 -0.07 -0.21 0.00 0.00 178.00 177.28 2k2e h LEU 111 N 0.00 0.30 -1.48 2.35 3.38 -1.68 -3.17 115.31 115.01 2k2e h LEU 111 Ca -0.00 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 2k2e h LEU 111 Cb 0.31 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k2e h LEU 111 CO 0.02 1.18 0.26 -0.07 0.09 0.00 0.00 178.44 179.92 2k2e h LEU 112 N -0.54 0.53 -1.71 1.67 3.38 -0.49 -0.37 115.31 117.77 2k2e h LEU 112 Ca -0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2k2e h LEU 112 Cb 1.31 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k2e h LEU 112 CO 0.09 0.42 -0.11 0.00 0.09 0.00 0.00 178.44 178.94 2k2e h ALA 113 N 1.67 1.11 -0.00 1.53 0.00 -1.56 -1.57 119.26 120.43 2k2e h ALA 113 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k2e h ALA 113 Cb -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k2e h ALA 113 CO -0.03 0.13 -0.56 -1.33 0.00 0.00 0.00 179.25 177.46 2k2e n MET 114 N -3.38 0.42 0.00 0.00 2.81 -0.30 -4.94 117.12 111.73 2k2e n MET 114 Ca -0.01 -0.30 0.00 0.00 -1.81 0.00 0.00 57.70 55.58 2k2e n MET 114 Cb 0.29 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 1.45 0.21 3.67 3.03 0.00 -0.59 -4.77 105.19 108.19 2k2e n GLY 115 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.29 -0.42 1.61 1.01 -0.32 -4.75 120.40 118.83 2k2e s VAL 116 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 2k2e s VAL 116 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 33.07 2k2e s VAL 116 CO 0.00 -0.03 0.32 -0.83 0.00 0.00 0.00 175.10 174.56 2k2e s GLY 117 N 3.14 2.00 -0.42 4.51 0.00 0.51 -3.82 107.32 113.24 2k2e s GLY 117 Ca 0.76 -1.73 -0.18 0.00 0.00 0.00 0.00 44.72 43.57 2k2e s GLY 117 CO 0.32 0.95 0.48 0.14 0.00 0.00 0.00 173.10 174.99 2k2e s VAL 118 N 1.72 5.04 -0.27 1.40 1.01 -1.26 0.17 120.40 128.21 2k2e s VAL 118 Ca 0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 2k2e s VAL 118 Cb -0.19 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 2k2e s VAL 118 CO 0.10 -0.44 0.05 -1.61 0.00 0.00 0.00 175.10 173.20 2k2e s GLU 119 N 2.27 3.27 -0.32 2.72 0.41 0.68 -4.97 118.70 122.76 2k2e s GLU 119 Ca 0.14 -0.73 -0.17 0.00 -0.41 0.00 0.00 54.97 53.80 2k2e s GLU 119 Cb -0.16 -3.29 -0.02 0.00 -1.78 0.00 0.00 34.13 28.88 2k2e s GLU 119 CO 0.15 -0.34 0.45 0.00 -0.49 0.00 0.00 175.26 175.03 2k2e s ALA 120 N 1.52 3.52 0.10 5.21 0.00 -1.26 -0.97 121.76 129.88 2k2e s ALA 120 Ca 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2k2e s ALA 120 Cb -0.16 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 2k2e s ALA 120 CO 0.02 -0.99 0.07 -1.33 0.00 0.00 0.00 175.76 173.53 2k2e n MET 121 N 5.55 0.31 -1.18 0.00 2.81 0.15 -4.96 117.12 119.80 2k2e n MET 121 Ca -0.06 -0.97 -0.31 0.00 -1.81 0.00 0.00 57.70 54.55 2k2e n MET 121 Cb 0.50 0.72 0.11 0.00 -0.71 0.00 0.00 33.22 33.83 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 -1.68 4.14 0.09 7.83 1.11 -1.26 -0.30 116.67 126.60 2k2e s ASP 122 Ca 0.10 1.97 -0.27 0.00 0.18 0.00 0.00 52.55 54.53 2k2e s ASP 122 Cb 0.00 -2.54 -0.15 0.00 1.07 0.00 0.00 42.92 41.31 2k2e s ASP 122 CO 0.07 -2.28 1.68 0.71 1.18 0.00 0.00 175.17 176.53 2k2e h THR 123 N -1.13 0.66 -0.46 -1.27 1.35 -1.79 0.18 112.91 110.46 2k2e h THR 123 Ca -0.44 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.35 2k2e h THR 123 Cb 1.25 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 2k2e h THR 123 CO 0.49 0.00 -0.02 -0.61 -0.25 0.00 0.00 175.52 175.13 2k2e h GLN 124 N -0.40 0.76 -0.18 4.72 5.75 -1.92 -0.93 115.11 122.92 2k2e h GLN 124 Ca -0.02 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.24 2k2e h GLN 124 Cb 0.33 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 2k2e h GLN 124 CO 0.02 0.79 0.00 0.00 -2.65 0.00 0.00 178.83 176.99 2k2e h ALA 125 N 1.26 0.24 -0.40 3.38 0.00 -1.85 0.51 119.26 122.40 2k2e h ALA 125 Ca 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2k2e h ALA 125 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2k2e h ALA 125 CO 0.02 -0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.31 2k2e h ALA 126 N 0.78 0.53 -0.61 0.00 0.00 -0.54 -1.65 119.26 117.77 2k2e h ALA 126 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2k2e h ALA 126 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2k2e h ALA 126 CO 0.01 0.20 0.28 0.00 0.00 0.00 0.00 179.25 179.74 2k2e h ALA 127 N 0.95 0.78 -0.50 0.00 0.00 -1.09 0.70 119.26 120.11 2k2e h ALA 127 Ca 0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k2e h ALA 127 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2k2e h ALA 127 CO 0.00 0.36 0.08 -0.09 0.00 0.00 0.00 179.25 179.61 2k2e h ARG 128 N 0.83 0.82 -0.30 0.00 2.43 -0.76 -0.96 114.38 116.45 2k2e h ARG 128 Ca 0.21 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 2k2e h ARG 128 Cb 0.15 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2k2e h ARG 128 CO -0.02 0.82 -0.11 1.15 -1.51 0.00 0.00 179.97 180.30 2k2e h THR 129 N 0.70 1.22 -0.65 0.20 2.02 -1.10 -2.57 112.91 112.73 2k2e h THR 129 Ca 0.15 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2k2e h THR 129 Cb 0.40 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2k2e h THR 129 CO 0.01 0.32 0.35 0.22 0.37 0.00 0.00 175.52 176.79 2k2e h TYR 130 N 0.46 0.90 -0.55 3.16 3.20 -0.18 -0.04 116.97 123.92 2k2e h TYR 130 Ca 0.09 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.98 2k2e h TYR 130 Cb 0.46 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 2k2e h TYR 130 CO 0.02 0.65 0.29 -0.91 -1.64 0.00 0.00 178.16 176.57 2k2e h ASN 131 N 0.89 0.43 0.31 -2.11 4.21 -0.81 0.18 115.58 118.68 2k2e h ASN 131 Ca 0.23 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.75 2k2e h ASN 131 Cb 0.05 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2k2e h ASN 131 CO -0.04 0.29 -0.15 0.40 -1.29 0.00 0.00 177.43 176.65 2k2e h ILE 132 N 0.56 0.71 -0.11 2.81 2.04 -1.10 -1.92 117.51 120.51 2k2e h ILE 132 Ca 0.24 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 2k2e h ILE 132 Cb 0.14 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2k2e h ILE 132 CO -0.16 0.04 -0.06 -0.07 0.00 0.00 0.00 178.15 177.90 2k2e h LEU 133 N -0.50 0.14 0.02 1.44 3.38 -0.85 -0.94 115.31 118.00 2k2e h LEU 133 Ca -0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k2e h LEU 133 Cb 0.38 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2k2e h LEU 133 CO 0.07 0.22 -0.01 -0.03 0.09 0.00 0.00 178.44 178.78 2k2e h MET 134 N 0.15 -0.03 -0.10 1.13 4.05 -0.38 -0.14 114.93 119.62 2k2e h MET 134 Ca 0.04 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 2k2e h MET 134 Cb 0.20 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2k2e h MET 134 CO 0.01 -0.02 -0.30 0.00 0.23 0.00 0.00 176.91 176.83 2k2e h ALA 135 N 0.95 1.32 0.00 0.39 0.00 -0.53 -1.79 119.26 119.59 2k2e h ALA 135 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2k2e h ALA 135 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k2e h ALA 135 CO 0.00 0.47 -0.24 0.93 0.00 0.00 0.00 179.25 180.41 2k2e h GLU 136 N 0.16 0.00 0.00 0.00 5.08 -0.97 -3.47 114.58 115.38 2k2e h GLU 136 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2k2e h GLU 136 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k2e h GLU 136 CO 0.04 0.24 0.00 0.41 -1.00 0.00 0.00 179.01 178.70 2k2e n GLY 137 N 0.43 0.58 3.80 -3.84 0.00 -0.17 -5.05 105.19 100.94 2k2e n GLY 137 Ca 0.01 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.24 4.42 -0.79 1.61 0.52 -0.57 -4.96 118.95 117.94 2k2e s ARG 138 Ca 0.00 1.11 -0.25 0.00 -0.52 0.00 0.00 55.73 56.07 2k2e s ARG 138 Cb 0.00 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 2k2e s ARG 138 CO 0.00 0.33 1.86 1.03 0.02 0.00 0.00 175.30 178.54 2k2e s ARG 139 N -2.03 2.66 -0.02 3.54 1.81 -1.26 -4.67 118.95 118.98 2k2e s ARG 139 Ca 0.47 -0.00 0.05 0.00 -1.72 0.00 0.00 55.73 54.53 2k2e s ARG 139 Cb -0.18 -4.80 -0.01 0.00 -0.45 0.00 0.00 34.95 29.52 2k2e s ARG 139 CO 0.22 -3.03 -0.17 0.54 -0.68 0.00 0.00 175.30 172.18 2k2e s VAL 140 N 9.27 1.40 -0.07 3.52 0.11 -1.26 -2.00 120.40 131.37 2k2e s VAL 140 Ca 0.66 -0.74 0.05 0.00 -2.93 0.00 0.00 61.98 59.03 2k2e s VAL 140 Cb -0.09 -1.17 -0.01 0.00 -1.53 0.00 0.00 36.38 33.58 2k2e s VAL 140 CO 0.07 0.40 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.32 2k2e s VAL 141 N -0.27 2.24 -0.13 2.04 1.01 -0.85 -4.02 120.40 120.42 2k2e s VAL 141 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2k2e s VAL 141 Cb -0.08 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 2k2e s VAL 141 CO 0.00 0.57 -0.16 0.54 0.00 0.00 0.00 175.10 176.05 2k2e s VAL 142 N -0.14 2.74 -0.32 2.92 0.11 -0.15 -0.36 120.40 125.20 2k2e s VAL 142 Ca -0.04 -0.76 -0.04 0.00 -2.93 0.00 0.00 61.98 58.20 2k2e s VAL 142 Cb -0.14 -2.14 0.04 0.00 -1.53 0.00 0.00 36.38 32.62 2k2e s VAL 142 CO 0.04 0.53 0.06 0.00 -3.33 0.00 0.00 175.10 172.40 2k2e s ALA 143 N 0.48 2.95 -0.08 1.54 0.00 0.76 -1.39 121.76 126.01 2k2e s ALA 143 Ca -0.11 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.10 2k2e s ALA 143 Cb -0.16 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 2k2e s ALA 143 CO 0.05 -1.32 -0.12 -0.51 0.00 0.00 0.00 175.76 173.86 2k2e s LEU 144 N 1.34 2.81 -0.09 0.00 1.43 -0.14 0.06 118.68 124.09 2k2e s LEU 144 Ca -0.03 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 2k2e s LEU 144 Cb -0.20 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2k2e s LEU 144 CO 0.01 0.29 0.39 -0.76 0.23 0.00 0.00 176.35 176.51 2k2e s LEU 145 N -0.36 4.34 -0.95 1.79 1.43 -1.07 -2.49 118.68 121.36 2k2e s LEU 145 Ca 0.04 0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 53.67 2k2e s LEU 145 Cb -0.12 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.47 2k2e s LEU 145 CO 0.02 0.15 2.01 -2.84 0.23 0.00 0.00 176.35 175.93 2k2e s PRO 146 N -0.06 2.35 0.00 1.29 0.02 -1.26 -4.75 135.00 132.59 2k2e s PRO 146 Ca 0.22 -0.37 0.00 0.00 0.02 0.00 0.00 61.00 60.87 2k2e s PRO 146 Cb -0.15 -5.06 0.00 0.00 0.02 0.00 0.00 34.50 29.31 2k2e s PRO 146 CO 0.09 -3.74 0.00 -3.47 -0.33 0.00 0.00 177.00 169.55 2k2e n ASP 147 N 14.95 0.00 0.00 2.53 -0.08 -1.26 -4.73 116.55 127.96 2k2e n ASP 147 Ca 0.42 -0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 2k2e n ASP 147 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 2k2e n ASP 147 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k2e n GLY 148 N 0.00 -0.00 2.91 0.27 0.00 -1.26 -4.92 105.19 102.19 2k2e n GLY 148 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2k2e n GLY 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2e s ASP 149 N 0.00 1.74 0.61 1.61 2.15 -1.26 -4.91 116.67 116.61 2k2e s ASP 149 Ca 0.00 -0.23 -0.18 0.00 0.43 0.00 0.00 52.55 52.57 2k2e s ASP 149 Cb 0.00 -0.70 -0.03 0.00 -0.30 0.00 0.00 42.92 41.90 2k2e s ASP 149 CO 0.00 -0.08 1.16 -0.94 -0.17 0.00 0.00 175.17 175.15 2k2e s SER 150 N 1.33 5.20 0.15 -0.34 1.04 -1.26 -4.89 113.70 114.92 2k2e s SER 150 Ca -0.03 2.24 -0.17 0.00 0.48 0.00 0.00 55.95 58.47 2k2e s SER 150 Cb -0.14 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.41 2k2e s SER 150 CO -0.03 -1.58 1.80 0.25 0.98 0.00 0.00 173.24 174.66 2k2e h LEU 151 N 0.65 0.38 -8.71 2.42 5.85 -2.00 -3.34 115.31 110.57 2k2e h LEU 151 Ca -0.49 -0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.68 2k2e h LEU 151 Cb 1.28 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 2k2e h LEU 151 CO 0.55 0.27 1.23 -0.70 -0.34 0.00 0.00 178.44 179.45 2k2e s GLU 152 N -6.16 3.18 -0.35 1.25 2.12 -1.26 -4.95 118.70 112.52 2k2e s GLU 152 Ca -0.13 0.96 0.04 0.00 0.36 0.00 0.00 54.97 56.20 2k2e s GLU 152 Cb 0.11 -4.21 0.10 0.00 0.26 0.00 0.00 34.13 30.39 2k2e s GLU 152 CO 0.72 -2.06 0.07 -1.58 -0.54 0.00 0.00 175.26 171.86 2k2e s HIS 153 N 7.11 3.58 0.41 5.30 2.46 -1.25 -5.09 115.29 127.80 2k2e s HIS 153 Ca 0.69 -2.93 -0.22 0.00 0.47 0.00 0.00 55.06 53.07 2k2e s HIS 153 Cb -0.16 -2.83 -0.11 0.00 -0.13 0.00 0.00 32.58 29.35 2k2e s HIS 153 CO 0.29 -0.93 0.95 -1.01 -2.47 0.00 0.00 174.74 171.57 2k2e s HIS 154 N 0.88 3.39 -0.59 3.88 3.76 -1.26 -4.94 115.29 120.40 2k2e s HIS 154 Ca 0.11 1.65 0.23 0.00 -0.15 0.00 0.00 55.06 56.90 2k2e s HIS 154 Cb -0.19 -2.88 0.92 0.00 1.11 0.00 0.00 32.58 31.54 2k2e s HIS 154 CO -0.09 -0.07 1.70 1.58 -0.85 0.00 0.00 174.74 177.01 2k2e n HIS 155 N -0.36 0.71 0.24 1.40 -0.00 -1.26 -1.39 115.22 114.56 2k2e n HIS 155 Ca 0.06 0.27 0.10 0.00 0.46 0.00 0.00 57.72 58.60 2k2e n HIS 155 Cb 0.53 -0.93 0.59 0.00 -0.12 0.00 0.00 29.99 30.06 2k2e n HIS 155 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k2e h HIS 156 N 0.00 0.00 -3.40 1.57 3.86 -2.04 -3.40 115.15 111.73 2k2e h HIS 156 Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 2k2e h HIS 156 Cb 0.41 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.78 2k2e h HIS 156 CO 0.00 0.20 0.21 -1.58 0.86 0.00 0.00 177.93 177.61 2k2e s HIS 157 N -4.07 3.35 -1.95 2.45 5.04 -0.49 -5.29 115.29 114.33 2k2e s HIS 157 Ca -0.02 0.96 0.16 0.00 -1.54 0.00 0.00 55.06 54.62 2k2e s HIS 157 Cb 0.13 -2.87 0.12 0.00 0.04 0.00 0.00 32.58 30.01 2k2e s HIS 157 CO 0.63 -0.25 0.99 0.72 -2.34 0.00 0.00 174.74 174.49