#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 1.41 -0.43 0.03 1.02 -1.26 -5.11 119.74 115.41 2k2e s LYS 2 Ca 0.00 -1.37 -0.20 0.00 0.02 0.00 0.00 55.97 54.42 2k2e s LYS 2 Cb 0.00 -1.88 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 2k2e s LYS 2 CO 0.00 0.44 0.62 -0.51 -0.92 0.00 0.00 175.35 174.98 2k2e s LEU 3 N -2.14 4.51 -0.29 3.17 1.43 -1.26 -5.00 118.68 119.10 2k2e s LEU 3 Ca 0.15 -0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 2k2e s LEU 3 Cb -0.10 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2k2e s LEU 3 CO 0.06 -0.75 1.93 -1.00 0.23 0.00 0.00 176.35 176.83 2k2e s HIS 4 N 2.75 1.60 -0.65 0.29 3.76 -1.26 -4.91 115.29 116.87 2k2e s HIS 4 Ca 0.22 0.60 -0.26 0.00 -0.15 0.00 0.00 55.06 55.47 2k2e s HIS 4 Cb -0.14 -4.06 0.04 0.00 1.11 0.00 0.00 32.58 29.52 2k2e s HIS 4 CO 0.18 -3.31 1.14 0.99 -0.85 0.00 0.00 174.74 172.89 2k2e s THR 5 N 7.36 4.02 -0.29 1.30 2.01 -1.26 -4.48 115.64 124.29 2k2e s THR 5 Ca 0.86 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 63.20 2k2e s THR 5 Cb -0.26 -4.76 0.00 0.00 0.01 0.00 0.00 72.50 67.49 2k2e s THR 5 CO 0.34 -1.53 0.02 0.47 -0.69 0.00 0.00 174.62 173.22 2k2e n ASP 6 N 8.50 -7.51 -0.67 3.53 9.92 -1.26 -4.82 116.55 124.25 2k2e n ASP 6 Ca 0.03 1.40 0.00 0.00 -0.53 0.00 0.00 54.79 55.69 2k2e n ASP 6 Cb 0.48 -5.21 0.00 0.00 -0.64 0.00 0.00 41.12 35.75 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 0.80 0.73 -0.01 -0.24 -0.02 -1.26 -3.69 135.00 131.31 2k2e n PRO 7 Ca -0.03 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.28 2k2e n PRO 7 Cb 0.06 -1.29 -0.10 0.00 -0.02 0.00 0.00 33.50 32.16 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 1.82 0.13 -3.20 3.55 0.00 -1.98 -3.46 119.26 116.13 2k2e h ALA 8 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 54.91 54.01 2k2e h ALA 8 Cb 0.49 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.09 2k2e h ALA 8 CO 0.00 0.37 -0.76 0.95 0.00 0.00 0.00 179.25 179.81 2k2e s THR 9 N -3.44 0.93 -0.48 0.00 -4.23 -1.24 -5.10 115.64 102.08 2k2e s THR 9 Ca -0.13 -1.32 -0.29 0.00 -1.18 0.00 0.00 61.69 58.77 2k2e s THR 9 Cb 0.05 -1.02 0.02 0.00 1.34 0.00 0.00 72.50 72.89 2k2e s THR 9 CO 0.83 -0.34 1.28 0.00 -0.54 0.00 0.00 174.62 175.84 2k2e s ALA 10 N -1.56 3.04 -0.18 3.99 0.00 -1.26 -4.97 121.76 120.83 2k2e s ALA 10 Ca -0.02 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 2k2e s ALA 10 Cb -0.08 -3.96 -0.02 0.00 0.00 0.00 0.00 23.12 19.05 2k2e s ALA 10 CO 0.01 -2.46 1.44 -0.51 0.00 0.00 0.00 175.76 174.24 2k2e s LEU 11 N 5.09 4.09 -0.37 0.00 1.43 -1.26 -4.94 118.68 122.72 2k2e s LEU 11 Ca 0.52 1.71 -0.23 0.00 -1.03 0.00 0.00 54.13 55.11 2k2e s LEU 11 Cb -0.10 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.60 2k2e s LEU 11 CO 0.30 -0.97 0.76 0.20 0.23 0.00 0.00 176.35 176.87 2k2e s ASN 12 N 2.97 6.52 0.01 2.29 0.02 -1.26 -5.04 114.94 120.45 2k2e s ASN 12 Ca 0.63 0.28 0.06 0.00 -1.02 0.00 0.00 52.86 52.82 2k2e s ASN 12 Cb -0.24 -2.39 -0.03 0.00 0.02 0.00 0.00 41.25 38.61 2k2e s ASN 12 CO 0.23 -0.73 -0.18 -0.89 0.02 0.00 0.00 177.10 175.54 2k2e s THR 13 N 3.07 2.74 -0.09 1.60 2.01 -1.26 -4.87 115.64 118.83 2k2e s THR 13 Ca 0.30 -1.07 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 2k2e s THR 13 Cb -0.13 -2.10 -0.07 0.00 0.01 0.00 0.00 72.50 70.21 2k2e s THR 13 CO 0.17 0.43 2.05 -0.69 -0.69 0.00 0.00 174.62 175.89 2k2e s VAL 14 N -0.83 3.07 -0.15 3.82 1.01 -1.26 -4.09 120.40 121.97 2k2e s VAL 14 Ca 0.13 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 2k2e s VAL 14 Cb -0.10 -3.07 -0.24 0.00 0.00 0.00 0.00 36.38 32.97 2k2e s VAL 14 CO 0.03 -0.03 0.43 0.74 0.00 0.00 0.00 175.10 176.28 2k2e h THR 15 N 6.31 1.02 -2.79 3.92 2.02 -0.83 -3.48 112.91 119.09 2k2e h THR 15 Ca -0.45 -2.31 -0.13 0.00 0.77 0.00 0.00 66.41 64.30 2k2e h THR 15 Cb 1.23 2.58 -0.25 0.00 -1.74 0.00 0.00 68.15 69.98 2k2e h THR 15 CO 0.95 0.57 -0.27 0.00 0.37 0.00 0.00 175.52 177.14 2k2e s ALA 16 N -2.42 -0.96 -0.28 6.16 0.00 -0.82 -5.02 121.76 118.42 2k2e s ALA 16 Ca -0.23 1.14 0.02 0.00 0.00 0.00 0.00 51.96 52.88 2k2e s ALA 16 Cb 0.04 -0.67 0.18 0.00 0.00 0.00 0.00 23.12 22.67 2k2e s ALA 16 CO 0.69 -0.19 0.51 -0.47 0.00 0.00 0.00 175.76 176.31 2k2e s TYR 17 N 0.38 -1.42 0.00 0.00 5.04 -1.26 -0.31 117.35 119.77 2k2e s TYR 17 Ca -0.01 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 2k2e s TYR 17 Cb -0.04 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.50 2k2e s TYR 17 CO -0.01 -0.94 0.00 0.41 -1.34 0.00 0.00 175.55 173.67 2k2e n GLY 18 N 5.40 0.00 0.14 8.97 0.00 -1.26 -4.95 105.19 113.49 2k2e n GLY 18 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 1.61 3.32 -2.04 -3.46 116.42 115.84 2k2e h ASP 19 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k2e h ASP 19 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2k2e h ASP 19 CO 0.00 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2k2e n GLY 20 N 0.40 0.86 3.64 2.75 0.00 -1.26 -5.10 105.19 106.48 2k2e n GLY 20 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.44 2.78 -0.39 1.61 -0.85 -1.26 -4.48 117.35 114.31 2k2e s TYR 21 Ca 0.00 -0.16 -0.14 0.00 -0.52 0.00 0.00 57.07 56.24 2k2e s TYR 21 Cb 0.00 -1.34 0.01 0.00 0.38 0.00 0.00 41.96 41.01 2k2e s TYR 21 CO 0.00 0.52 0.28 0.42 -1.52 0.00 0.00 175.55 175.25 2k2e s ILE 22 N -1.76 5.21 -0.38 -3.49 1.01 -0.09 -4.20 121.20 117.50 2k2e s ILE 22 Ca 0.27 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 2k2e s ILE 22 Cb -0.09 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.54 2k2e s ILE 22 CO 0.18 -0.23 0.51 -0.70 0.00 0.00 0.00 174.94 174.70 2k2e s GLU 23 N 1.68 3.44 -0.25 2.79 2.12 0.57 -0.28 118.70 128.77 2k2e s GLU 23 Ca 0.05 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 55.06 2k2e s GLU 23 Cb -0.19 -3.87 0.06 0.00 0.26 0.00 0.00 34.13 30.39 2k2e s GLU 23 CO 0.10 -0.75 -0.10 0.08 -0.54 0.00 0.00 175.26 174.05 2k2e s VAL 24 N 2.40 1.97 -1.11 3.70 1.01 -0.08 -0.04 120.40 128.26 2k2e s VAL 24 Ca 0.18 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.65 2k2e s VAL 24 Cb -0.16 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.12 2k2e s VAL 24 CO 0.14 -0.02 0.95 -3.20 0.00 0.00 0.00 175.10 172.98 2k2e n ASN 25 N 4.51 -3.82 0.00 3.32 5.15 -1.26 -2.10 115.26 121.07 2k2e n ASN 25 Ca -0.14 -0.51 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 2k2e n ASN 25 Cb 0.43 -4.50 0.00 0.00 -0.53 0.00 0.00 39.78 35.18 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2e n GLN 26 N -4.07 0.00 -3.06 1.20 6.02 -1.26 -4.96 117.38 111.25 2k2e n GLN 26 Ca -0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.45 2k2e n GLN 26 Cb 0.60 -2.61 -0.06 0.00 1.02 0.00 0.00 30.24 29.19 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 -2.64 4.90 -0.58 5.09 1.01 -0.89 -5.01 120.40 122.28 2k2e s VAL 27 Ca 0.00 1.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 2k2e s VAL 27 Cb 0.00 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.42 2k2e s VAL 27 CO 0.00 -0.14 0.80 -0.13 0.00 0.00 0.00 175.10 175.63 2k2e s ARG 28 N 2.69 3.13 -0.12 2.72 0.52 -1.26 -0.90 118.95 125.73 2k2e s ARG 28 Ca 0.28 -0.89 -0.23 0.00 -0.52 0.00 0.00 55.73 54.36 2k2e s ARG 28 Cb -0.15 -4.18 -0.03 0.00 0.52 0.00 0.00 34.95 31.12 2k2e s ARG 28 CO 0.11 -1.53 0.70 -0.06 0.02 0.00 0.00 175.30 174.54 2k2e s PHE 29 N 3.29 3.50 -0.55 -0.53 0.08 0.61 -4.89 117.98 119.48 2k2e s PHE 29 Ca 0.19 1.17 0.16 0.00 0.12 0.00 0.00 56.93 58.56 2k2e s PHE 29 Cb -0.19 -2.84 0.64 0.00 -0.57 0.00 0.00 43.02 40.07 2k2e s PHE 29 CO 0.11 -0.04 1.56 0.43 -0.10 0.00 0.00 175.22 177.18 2k2e n SER 30 N 4.36 4.56 -4.72 1.36 7.64 -1.26 -0.91 113.62 124.65 2k2e n SER 30 Ca -0.00 -2.72 -0.27 0.00 1.01 0.00 0.00 58.87 56.88 2k2e n SER 30 Cb 0.50 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 2k2e n SER 30 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2k2e s HIS 31 N -2.33 2.35 0.22 1.43 3.76 -1.26 -5.05 115.29 114.41 2k2e s HIS 31 Ca 0.46 -0.71 -0.30 0.00 -0.15 0.00 0.00 55.06 54.37 2k2e s HIS 31 Cb 0.34 -1.83 -0.09 0.00 1.11 0.00 0.00 32.58 32.11 2k2e s HIS 31 CO 0.16 0.22 1.12 0.00 -0.85 0.00 0.00 174.74 175.39 2k2e s ALA 32 N -2.70 3.40 0.02 -1.40 0.00 -1.21 -4.75 121.76 115.12 2k2e s ALA 32 Ca 0.32 0.88 0.02 0.00 0.00 0.00 0.00 51.96 53.18 2k2e s ALA 32 Cb 0.05 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2k2e s ALA 32 CO 0.17 -0.23 -0.08 0.96 0.00 0.00 0.00 175.76 176.58 2k2e s ILE 33 N -0.57 0.58 -0.09 0.00 -4.36 -0.99 0.88 121.20 116.65 2k2e s ILE 33 Ca 0.48 -0.69 0.01 0.00 -0.26 0.00 0.00 60.65 60.19 2k2e s ILE 33 Cb -0.31 -0.56 0.02 0.00 1.25 0.00 0.00 42.46 42.85 2k2e s ILE 33 CO 0.38 -0.10 -0.11 0.00 0.24 0.00 0.00 174.94 175.36 2k2e s ALA 34 N -0.74 1.32 0.14 2.27 0.00 0.03 -1.03 121.76 123.75 2k2e s ALA 34 Ca -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2k2e s ALA 34 Cb -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2k2e s ALA 34 CO 0.00 -0.11 0.29 -0.59 0.00 0.00 0.00 175.76 175.35 2k2e s PHE 35 N 1.10 0.17 0.10 0.00 -0.71 -0.24 -0.41 117.98 118.00 2k2e s PHE 35 Ca -0.06 -0.55 -0.01 0.00 -1.04 0.00 0.00 56.93 55.27 2k2e s PHE 35 Cb -0.14 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.66 2k2e s PHE 35 CO -0.02 -0.68 0.02 0.00 -1.34 0.00 0.00 175.22 173.21 2k2e s ALA 36 N -3.90 0.75 0.39 1.99 0.00 -1.25 -1.49 121.76 118.25 2k2e s ALA 36 Ca 0.10 -1.38 0.17 0.00 0.00 0.00 0.00 51.96 50.85 2k2e s ALA 36 Cb 0.03 0.63 1.08 0.00 0.00 0.00 0.00 23.12 24.86 2k2e s ALA 36 CO -0.06 -0.43 1.76 -1.35 0.00 0.00 0.00 175.76 175.68 2k2e h PRO 37 N 2.97 0.40 -0.18 0.00 0.11 -1.90 -0.79 132.00 132.61 2k2e h PRO 37 Ca -0.35 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.58 2k2e h PRO 37 Cb 1.18 -0.09 -0.18 0.00 0.11 0.00 0.00 31.00 32.01 2k2e h PRO 37 CO 0.62 0.27 -0.70 0.39 -0.21 0.00 0.00 178.00 178.36 2k2e n GLU 38 N -4.67 1.73 -4.35 1.05 1.02 -1.26 -4.71 120.64 109.46 2k2e n GLU 38 Ca 0.26 -3.27 -0.25 0.00 -0.02 0.00 0.00 57.16 53.88 2k2e n GLU 38 Cb 0.87 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 30.70 2k2e n GLU 38 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k2e s GLY 39 N -3.13 1.44 0.51 0.62 0.00 -0.30 -5.13 107.32 101.33 2k2e s GLY 39 Ca 0.39 -1.44 -0.22 0.00 0.00 0.00 0.00 44.72 43.46 2k2e s GLY 39 CO -0.06 -1.45 1.21 -4.14 0.00 0.00 0.00 173.10 168.66 2k2e s PRO 40 N -2.34 3.44 -1.06 2.90 0.02 -1.26 -3.78 135.00 132.93 2k2e s PRO 40 Ca 0.13 1.88 -0.22 0.00 0.02 0.00 0.00 61.00 62.81 2k2e s PRO 40 Cb -0.08 -2.25 0.06 0.00 0.02 0.00 0.00 34.50 32.24 2k2e s PRO 40 CO 0.06 -0.84 1.49 0.08 -0.33 0.00 0.00 177.00 177.46 2k2e s VAL 41 N -1.52 3.97 -0.13 3.83 1.01 -1.26 -4.30 120.40 122.00 2k2e s VAL 41 Ca 0.69 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 2k2e s VAL 41 Cb -0.31 -5.07 -0.01 0.00 0.00 0.00 0.00 36.38 30.98 2k2e s VAL 41 CO 0.37 -1.94 0.97 0.00 0.00 0.00 0.00 175.10 174.49 2k2e s ALA 42 N 4.81 3.46 -0.19 5.51 0.00 0.45 -4.87 121.76 130.92 2k2e s ALA 42 Ca 0.47 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 52.43 2k2e s ALA 42 Cb 0.00 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 2k2e s ALA 42 CO -0.07 -0.65 0.94 -1.12 0.00 0.00 0.00 175.76 174.86 2k2e s SER 43 N 1.11 7.04 -0.25 0.00 0.01 -1.26 -0.79 113.70 119.57 2k2e s SER 43 Ca 0.45 1.29 -0.08 0.00 1.31 0.00 0.00 55.95 58.92 2k2e s SER 43 Cb -0.18 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2k2e s SER 43 CO 0.15 -0.53 0.11 0.86 0.41 0.00 0.00 173.24 174.24 2k2e s TRP 44 N 2.65 3.16 -1.60 2.43 -0.00 0.25 -4.97 118.94 120.86 2k2e s TRP 44 Ca 0.42 -0.17 0.00 0.00 -0.00 0.00 0.00 56.10 56.35 2k2e s TRP 44 Cb -0.16 -2.25 0.00 0.00 -0.00 0.00 0.00 33.47 31.06 2k2e s TRP 44 CO 0.10 -0.21 0.71 -0.35 -0.00 0.00 0.00 176.95 177.20 2k2e n PRO 45 N 4.72 0.88 -3.31 5.86 -0.04 -1.26 -3.35 135.00 138.50 2k2e n PRO 45 Ca -0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 2k2e n PRO 45 Cb 0.52 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.60 5.08 -0.06 0.52 1.01 -1.26 -4.91 120.40 119.17 2k2e s VAL 46 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 61.98 62.08 2k2e s VAL 46 Cb 0.00 -3.97 -0.22 0.00 0.00 0.00 0.00 36.38 32.20 2k2e s VAL 46 CO 0.00 -0.28 0.67 0.00 0.00 0.00 0.00 175.10 175.49 2k2e n GLN 47 N 5.62 0.63 -4.45 2.72 6.02 -1.26 -4.71 117.38 121.94 2k2e n GLN 47 Ca -0.07 0.28 -0.34 0.00 -0.01 0.00 0.00 57.00 56.86 2k2e n GLN 47 Cb 0.48 -1.79 -0.14 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.65 3.37 0.00 -1.09 0.52 -1.26 -4.89 118.95 112.96 2k2e s ARG 48 Ca -0.04 -0.67 0.08 0.00 -0.52 0.00 0.00 55.73 54.58 2k2e s ARG 48 Cb 0.08 -2.76 0.47 0.00 0.52 0.00 0.00 34.95 33.26 2k2e s ARG 48 CO 0.82 0.06 0.99 -0.35 0.02 0.00 0.00 175.30 176.85 2k2e n PRO 49 N 3.98 0.22 0.02 3.54 -0.04 -1.26 -0.97 135.00 140.49 2k2e n PRO 49 Ca -0.18 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2k2e n PRO 49 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.08 3.41 1.17 0.55 0.00 -1.26 -3.98 120.51 119.32 2k2e n ALA 50 Ca 0.06 -0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.20 2k2e n ALA 50 Cb 0.04 -0.93 0.53 0.00 0.00 0.00 0.00 19.45 19.08 2k2e n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k2e n ASP 51 N -1.99 0.31 -4.72 0.00 8.00 -0.14 -4.88 116.55 113.13 2k2e n ASP 51 Ca 0.01 -0.13 -0.42 0.00 0.71 0.00 0.00 54.79 54.96 2k2e n ASP 51 Cb 0.45 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.78 3.36 0.56 0.53 1.01 -1.25 -5.02 121.20 117.61 2k2e s ILE 52 Ca 0.19 0.99 0.04 0.00 0.00 0.00 0.00 60.65 61.88 2k2e s ILE 52 Cb 0.19 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 39.07 2k2e s ILE 52 CO 0.55 0.08 0.36 0.42 0.00 0.00 0.00 174.94 176.35 2k2e s THR 53 N 1.00 1.46 0.25 2.92 -4.23 -1.26 -4.99 115.64 110.79 2k2e s THR 53 Ca 0.63 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2k2e s THR 53 Cb -0.36 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.49 2k2e s THR 53 CO 0.31 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 176.05 2k2e h ALA 54 N 0.77 0.99 -0.57 3.99 0.00 -1.91 -1.72 119.26 120.82 2k2e h ALA 54 Ca -0.37 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 2k2e h ALA 54 Cb 1.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2k2e h ALA 54 CO 0.59 0.60 0.10 0.77 0.00 0.00 0.00 179.25 181.31 2k2e h SER 55 N 0.44 0.90 -0.36 0.00 0.02 -1.95 -2.26 113.55 110.33 2k2e h SER 55 Ca 0.05 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 2k2e h SER 55 Cb 0.78 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2k2e h SER 55 CO 0.06 0.93 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.59 2k2e h LEU 56 N 0.83 0.71 -1.05 5.07 3.38 -1.89 -1.86 115.31 120.51 2k2e h LEU 56 Ca 0.17 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2k2e h LEU 56 Cb 0.41 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2k2e h LEU 56 CO 0.01 0.79 0.20 -0.07 0.09 0.00 0.00 178.44 179.46 2k2e h LEU 57 N 0.69 0.82 -0.59 1.67 3.38 -1.06 0.13 115.31 120.35 2k2e h LEU 57 Ca 0.14 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2k2e h LEU 57 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2k2e h LEU 57 CO 0.02 0.76 0.02 1.56 0.09 0.00 0.00 178.44 180.89 2k2e h GLN 58 N 0.86 1.02 -0.54 1.13 4.20 -0.88 -0.21 115.11 120.69 2k2e h GLN 58 Ca 0.20 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 2k2e h GLN 58 Cb 0.22 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2k2e h GLN 58 CO -0.01 1.00 -0.06 1.96 -0.67 0.00 0.00 178.83 181.04 2k2e h GLN 59 N 0.92 0.99 0.00 1.46 4.20 -0.89 -0.66 115.11 121.13 2k2e h GLN 59 Ca 0.17 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 2k2e h GLN 59 Cb 0.52 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2k2e h GLN 59 CO 0.03 1.03 -0.29 0.00 -0.67 0.00 0.00 178.83 178.92 2k2e h ALA 60 N 0.93 1.16 -0.00 3.87 0.00 -0.54 -1.87 119.26 122.81 2k2e h ALA 60 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k2e h ALA 60 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k2e h ALA 60 CO 0.04 0.36 -0.02 0.00 0.00 0.00 0.00 179.25 179.63 2k2e n ALA 61 N -2.32 2.65 -1.76 0.00 0.00 -0.11 -4.79 120.51 114.18 2k2e n ALA 61 Ca -0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 2k2e n ALA 61 Cb 0.41 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 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 1.13 0.43 2.58 0.00 0.00 -0.70 -4.83 105.19 103.81 2k2e n GLY 62 Ca 0.20 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.99 7.67 -3.83 0.99 4.77 -0.28 -4.82 117.00 120.52 2k2e n LEU 63 Ca -0.08 -4.58 -0.20 0.00 -0.03 0.00 0.00 56.01 51.12 2k2e n LEU 63 Cb 0.43 -1.49 -0.17 0.00 -2.33 0.00 0.00 43.42 39.87 2k2e n LEU 63 CO 0.11 1.73 -0.39 0.00 -1.33 0.00 0.00 177.39 177.51 2k2e s ALA 64 N 0.77 0.60 -0.48 -1.18 0.00 -1.26 -4.77 121.76 115.43 2k2e s ALA 64 Ca 0.53 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 2k2e s ALA 64 Cb 0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2k2e s ALA 64 CO -0.06 -0.17 1.78 -1.21 0.00 0.00 0.00 175.76 176.10 2k2e s GLU 65 N 1.29 3.02 -0.09 0.00 2.02 -1.26 -4.97 118.70 118.71 2k2e s GLU 65 Ca -0.06 0.97 0.00 0.00 0.02 0.00 0.00 54.97 55.90 2k2e s GLU 65 Cb -0.13 -4.27 -0.03 0.00 0.10 0.00 0.00 34.13 29.80 2k2e s GLU 65 CO -0.02 -2.25 -0.08 0.08 0.02 0.00 0.00 175.26 173.01 2k2e s VAL 66 N 7.78 3.57 0.05 2.63 1.01 -1.26 -4.96 120.40 129.22 2k2e s VAL 66 Ca 0.71 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2k2e s VAL 66 Cb -0.17 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2k2e s VAL 66 CO 0.27 0.57 0.00 0.52 0.00 0.00 0.00 175.10 176.46 2k2e n VAL 67 N 2.59 -5.53 -2.52 2.92 0.31 -1.26 -4.86 118.33 109.98 2k2e n VAL 67 Ca -0.18 1.03 -0.41 0.00 -0.01 0.00 0.00 64.34 64.78 2k2e n VAL 67 Cb 0.53 -3.29 -0.03 0.00 -0.91 0.00 0.00 33.84 30.14 2k2e n VAL 67 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2k2e s ARG 68 N -2.12 3.28 -0.29 5.55 0.52 -1.26 -4.98 118.95 119.65 2k2e s ARG 68 Ca 0.00 -0.49 -0.25 0.00 -0.52 0.00 0.00 55.73 54.47 2k2e s ARG 68 Cb 0.00 -4.59 0.00 0.00 0.52 0.00 0.00 34.95 30.89 2k2e s ARG 68 CO 0.00 -2.22 0.88 0.34 0.02 0.00 0.00 175.30 174.32 2k2e s ASP 69 N 4.40 6.78 0.00 0.23 -1.08 -1.26 -4.93 116.67 120.82 2k2e s ASP 69 Ca 0.41 0.86 0.30 0.00 -0.52 0.00 0.00 52.55 53.59 2k2e s ASP 69 Cb -0.06 -2.45 1.40 0.00 -1.46 0.00 0.00 42.92 40.35 2k2e s ASP 69 CO 0.07 -0.67 1.94 -0.81 0.52 0.00 0.00 175.17 176.23 2k2e n PRO 70 N 6.34 1.25 0.00 4.34 -0.04 -1.26 -3.72 135.00 141.91 2k2e n PRO 70 Ca 0.07 -0.48 0.14 0.00 -0.04 0.00 0.00 63.50 63.18 2k2e n PRO 70 Cb 0.48 -1.49 0.51 0.00 -0.04 0.00 0.00 33.50 32.95 2k2e n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k2e n LEU 71 N -0.46 0.85 0.00 1.53 4.77 -1.26 -3.24 117.00 119.19 2k2e n LEU 71 Ca 0.20 -0.19 0.11 0.00 -0.03 0.00 0.00 56.01 56.11 2k2e n LEU 71 Cb 0.25 -0.12 0.65 0.00 -2.33 0.00 0.00 43.42 41.86 2k2e n LEU 71 CO 0.18 0.15 0.85 0.00 -1.33 0.00 0.00 177.39 177.24 2k2e n ALA 72 N -0.66 2.38 0.19 -1.18 0.00 -1.24 -2.86 120.51 117.13 2k2e n ALA 72 Ca 0.14 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.49 2k2e n ALA 72 Cb 0.31 -1.35 0.38 0.00 0.00 0.00 0.00 19.45 18.79 2k2e n ALA 72 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2k2e h PHE 73 N 0.00 0.00 -3.61 0.00 3.57 -1.81 -3.45 116.94 111.64 2k2e h PHE 73 Ca 0.00 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.17 2k2e h PHE 73 Cb 0.00 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 38.60 2k2e h PHE 73 CO 0.00 0.37 -0.65 -0.51 -2.23 0.00 0.00 178.31 175.29 2k2e s LEU 74 N -7.61 2.03 0.02 0.59 1.43 -1.14 -5.11 118.68 108.89 2k2e s LEU 74 Ca -0.02 -1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 51.80 2k2e s LEU 74 Cb 0.13 -0.11 -0.01 0.00 0.03 0.00 0.00 46.19 46.23 2k2e s LEU 74 CO 0.70 -0.59 0.07 1.51 0.23 0.00 0.00 176.35 178.27 2k2e s ASP 75 N -3.25 0.14 -0.10 2.29 1.47 -1.26 -4.68 116.67 111.27 2k2e s ASP 75 Ca 0.29 -0.39 -0.29 0.00 1.18 0.00 0.00 52.55 53.34 2k2e s ASP 75 Cb 0.06 0.18 -0.04 0.00 -0.34 0.00 0.00 42.92 42.78 2k2e s ASP 75 CO 0.08 -0.38 1.46 -1.61 0.68 0.00 0.00 175.17 175.40 2k2e s GLU 76 N -1.72 4.21 0.00 2.11 2.02 -1.26 -4.47 118.70 119.58 2k2e s GLU 76 Ca -0.13 1.93 0.00 0.00 0.02 0.00 0.00 54.97 56.80 2k2e s GLU 76 Cb -0.07 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.30 2k2e s GLU 76 CO -0.01 -0.77 0.00 -2.30 0.02 0.00 0.00 175.26 172.20 2k2e n PRO 77 N 6.82 0.00 0.00 0.39 -0.02 -1.26 -4.66 135.00 136.28 2k2e n PRO 77 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2k2e n PRO 77 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 2k2e n PRO 77 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k2e n GLU 78 N 0.00 0.00 -2.09 -0.52 2.13 -1.26 -5.03 120.64 113.87 2k2e n GLU 78 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 2k2e n GLU 78 Cb 0.00 -0.58 -0.04 0.00 0.27 0.00 0.00 31.44 31.09 2k2e n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k2e n ALA 79 N -2.87 -0.49 -0.58 4.31 0.00 -1.26 -4.87 120.51 114.74 2k2e n ALA 79 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2k2e n ALA 79 Cb 0.48 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2k2e n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 80 N -0.83 -0.05 0.13 0.00 0.00 -1.26 -4.95 105.19 98.24 2k2e n GLY 80 Ca -0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.74 1.18 -1.53 4.61 0.00 -1.26 -5.00 120.51 116.78 2k2e n ALA 81 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2k2e n ALA 81 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2k2e n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 82 N 2.11 0.63 0.00 0.00 0.00 -1.26 -5.02 105.19 101.65 2k2e n GLY 82 Ca -0.40 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 83 N -0.78 0.00 -2.54 4.61 0.00 -1.26 -4.50 120.51 116.03 2k2e n ALA 83 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2k2e n ALA 83 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.26 3.42 0.59 0.00 0.52 -1.26 -5.03 118.95 115.93 2k2e s ARG 84 Ca 0.00 -0.14 -0.16 0.00 -0.52 0.00 0.00 55.73 54.90 2k2e s ARG 84 Cb 0.00 -3.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 2k2e s ARG 84 CO 0.00 -1.03 1.07 -2.14 0.02 0.00 0.00 175.30 173.22 2k2e s PRO 85 N 3.07 3.29 -0.91 3.54 0.02 -1.26 -4.22 135.00 138.52 2k2e s PRO 85 Ca 0.27 1.28 -0.06 0.00 0.02 0.00 0.00 61.00 62.51 2k2e s PRO 85 Cb -0.13 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 2k2e s PRO 85 CO 0.20 -0.85 0.76 0.00 -0.33 0.00 0.00 177.00 176.79 2k2e n ALA 86 N -1.94 -2.55 0.01 -1.55 0.00 -1.26 -4.94 120.51 108.28 2k2e n ALA 86 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k2e n ALA 86 Cb 0.53 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.94 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 -2.44 1.43 -4.78 0.00 5.03 -1.26 -5.04 115.26 108.21 2k2e n ASN 87 Ca -0.08 -1.40 -0.36 0.00 0.87 0.00 0.00 54.58 53.62 2k2e n ASN 87 Cb 0.57 -0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.31 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k2e s ALA 88 N -0.41 2.88 0.03 5.41 0.00 -1.26 -4.95 121.76 123.46 2k2e s ALA 88 Ca 0.01 0.78 -0.33 0.00 0.00 0.00 0.00 51.96 52.42 2k2e s ALA 88 Cb 0.01 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 2k2e s ALA 88 CO 0.01 -0.53 1.80 -2.30 0.00 0.00 0.00 175.76 174.74 2k2e n PRO 89 N -0.78 2.37 0.04 0.00 -0.02 -1.26 -4.90 135.00 130.44 2k2e n PRO 89 Ca 0.09 0.86 -0.13 0.00 -2.02 0.00 0.00 63.50 62.30 2k2e n PRO 89 Cb 0.50 -2.71 -0.08 0.00 -0.02 0.00 0.00 33.50 31.19 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 8.35 -0.06 -4.00 -0.52 5.08 -1.48 -3.31 114.58 118.63 2k2e h GLU 90 Ca -0.47 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.50 2k2e h GLU 90 Cb 1.25 0.01 -0.33 0.00 0.50 0.00 0.00 28.75 30.18 2k2e h GLU 90 CO 0.93 0.20 -0.77 0.54 -1.00 0.00 0.00 179.01 178.91 2k2e s VAL 91 N -5.16 0.47 -0.32 3.13 0.11 -1.06 -0.16 120.40 117.41 2k2e s VAL 91 Ca -0.15 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 58.73 2k2e s VAL 91 Cb 0.04 -0.50 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 2k2e s VAL 91 CO 0.65 0.20 0.11 -0.22 -3.33 0.00 0.00 175.10 172.52 2k2e s LEU 92 N 0.83 4.10 -0.66 2.54 2.96 0.14 -1.33 118.68 127.26 2k2e s LEU 92 Ca -0.11 -0.81 -0.19 0.00 -0.22 0.00 0.00 54.13 52.80 2k2e s LEU 92 Cb -0.14 -1.91 0.11 0.00 0.50 0.00 0.00 46.19 44.75 2k2e s LEU 92 CO -0.00 -0.25 0.81 -0.76 -1.32 0.00 0.00 176.35 174.83 2k2e s LEU 93 N 1.50 5.25 -0.52 -0.68 1.43 0.94 -0.90 118.68 125.71 2k2e s LEU 93 Ca 0.02 -1.51 -0.21 0.00 -1.03 0.00 0.00 54.13 51.40 2k2e s LEU 93 Cb -0.18 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 43.76 2k2e s LEU 93 CO 0.04 -1.14 0.73 -0.69 0.23 0.00 0.00 176.35 175.52 2k2e s VAL 94 N 2.78 4.72 -0.49 -1.59 1.01 0.71 -0.27 120.40 127.26 2k2e s VAL 94 Ca 0.16 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 2k2e s VAL 94 Cb -0.19 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.84 2k2e s VAL 94 CO 0.04 -0.90 0.98 -0.83 0.00 0.00 0.00 175.10 174.39 2k2e s GLY 95 N 2.72 1.41 0.48 4.51 0.00 0.14 -1.06 107.32 115.51 2k2e s GLY 95 Ca 0.20 -0.85 0.32 0.00 0.00 0.00 0.00 44.72 44.40 2k2e s GLY 95 CO 0.14 2.13 1.98 -0.91 0.00 0.00 0.00 173.10 176.45 2k2e h THR 96 N 6.10 0.00 0.00 0.90 1.35 -1.65 -2.13 112.91 117.48 2k2e h THR 96 Ca -0.24 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2k2e h THR 96 Cb 1.07 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2k2e h THR 96 CO 1.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.95 2k2e n GLY 97 N -0.87 0.75 0.11 5.82 0.00 -1.25 -3.50 105.19 106.25 2k2e n GLY 97 Ca -0.01 0.49 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.16 -3.23 1.61 3.08 -1.87 -3.43 114.38 110.38 2k2e h ARG 98 Ca 0.00 0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 2k2e h ARG 98 Cb 0.00 0.04 -0.29 0.00 0.08 0.00 0.00 29.97 29.80 2k2e h ARG 98 CO 0.00 -0.11 -0.54 1.03 -1.07 0.00 0.00 179.97 179.28 2k2e s ARG 99 N -6.17 0.16 -0.30 0.04 0.52 -1.23 -5.11 118.95 106.87 2k2e s ARG 99 Ca -0.14 0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.13 2k2e s ARG 99 Cb 0.06 -0.05 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 2k2e s ARG 99 CO 0.66 -0.10 1.65 -1.14 0.02 0.00 0.00 175.30 176.38 2k2e s GLN 100 N 0.73 3.58 0.06 3.54 2.00 -1.26 -4.76 119.66 123.55 2k2e s GLN 100 Ca -0.05 1.43 0.06 0.00 -2.00 0.00 0.00 55.36 54.80 2k2e s GLN 100 Cb -0.07 -4.10 -0.04 0.00 0.80 0.00 0.00 33.01 29.61 2k2e s GLN 100 CO -0.04 -1.56 -0.11 -1.01 -0.50 0.00 0.00 175.29 172.07 2k2e s HIS 101 N 5.90 2.74 -0.45 1.67 3.76 -1.26 -5.09 115.29 122.55 2k2e s HIS 101 Ca 0.73 -0.15 -0.16 0.00 -0.15 0.00 0.00 55.06 55.34 2k2e s HIS 101 Cb -0.22 -1.49 0.05 0.00 1.11 0.00 0.00 32.58 32.04 2k2e s HIS 101 CO 0.32 0.38 0.38 -1.17 -0.85 0.00 0.00 174.74 173.79 2k2e s LEU 102 N -1.84 5.42 1.01 0.89 2.96 -1.26 -4.89 118.68 120.97 2k2e s LEU 102 Ca 0.19 -1.16 -0.12 0.00 -0.22 0.00 0.00 54.13 52.82 2k2e s LEU 102 Cb -0.11 -2.19 0.20 0.00 0.50 0.00 0.00 46.19 44.58 2k2e s LEU 102 CO 0.10 -0.59 1.09 -0.76 -1.32 0.00 0.00 176.35 174.87 2k2e s LEU 103 N 1.71 1.53 0.05 -0.68 1.43 -1.26 -5.03 118.68 116.42 2k2e s LEU 103 Ca 0.05 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 2k2e s LEU 103 Cb -0.22 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2k2e s LEU 103 CO 0.08 -3.20 0.05 -0.83 0.23 0.00 0.00 176.35 172.69 2k2e s GLY 104 N -3.45 1.98 0.60 -3.19 0.00 -1.26 -4.99 107.32 97.02 2k2e s GLY 104 Ca 0.66 -0.98 0.31 0.00 0.00 0.00 0.00 44.72 44.70 2k2e s GLY 104 CO 0.58 -0.92 2.13 -2.55 0.00 0.00 0.00 173.10 172.34 2k2e h PRO 105 N 3.70 0.00 -0.51 2.90 0.11 -2.00 -0.91 132.00 135.29 2k2e h PRO 105 Ca -0.48 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.74 2k2e h PRO 105 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2k2e h PRO 105 CO 0.63 0.00 0.35 0.93 -0.21 0.00 0.00 178.00 179.69 2k2e h GLU 106 N 0.00 0.21 0.00 1.05 4.39 -2.03 -2.25 114.58 115.95 2k2e h GLU 106 Ca 0.06 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 2k2e h GLU 106 Cb 0.40 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2k2e h GLU 106 CO -0.00 0.14 -1.17 1.96 -1.16 0.00 0.00 179.01 178.78 2k2e h GLN 107 N 0.22 0.00 0.00 2.33 4.20 -1.56 -3.38 115.11 116.92 2k2e h GLN 107 Ca 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 2k2e h GLN 107 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2k2e h GLN 107 CO -0.04 0.18 -1.46 1.33 -0.67 0.00 0.00 178.83 178.17 2k2e n VAL 108 N -2.83 0.57 -0.10 -0.54 0.24 -0.88 -4.40 118.33 110.39 2k2e n VAL 108 Ca -0.05 -0.58 -0.06 0.00 -2.04 0.00 0.00 64.34 61.62 2k2e n VAL 108 Cb 0.72 -0.31 0.01 0.00 -1.47 0.00 0.00 33.84 32.79 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 0.06 -0.69 7.34 3.08 -1.66 -0.02 114.38 122.49 2k2e h ARG 109 Ca -0.06 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.10 2k2e h ARG 109 Cb 1.17 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 2k2e h ARG 109 CO 0.01 0.04 0.46 -1.00 -1.07 0.00 0.00 179.97 178.41 2k2e h PRO 110 N 0.06 0.47 0.18 0.04 0.13 -1.85 -0.71 132.00 130.32 2k2e h PRO 110 Ca 0.17 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.96 2k2e h PRO 110 Cb 0.24 -0.11 0.02 0.00 0.13 0.00 0.00 31.00 31.28 2k2e h PRO 110 CO -0.31 0.31 -1.45 -0.07 -0.23 0.00 0.00 178.00 176.25 2k2e h LEU 111 N 0.49 0.59 -1.31 1.56 3.38 -1.58 -3.19 115.31 115.25 2k2e h LEU 111 Ca 0.32 -0.69 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 2k2e h LEU 111 Cb 0.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k2e h LEU 111 CO -0.10 1.56 -0.13 -0.07 0.09 0.00 0.00 178.44 179.78 2k2e h LEU 112 N 0.10 0.29 -0.02 1.67 3.38 -0.47 0.18 115.31 120.45 2k2e h LEU 112 Ca -0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2k2e h LEU 112 Cb 2.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.74 2k2e h LEU 112 CO 0.22 0.45 0.00 0.00 0.09 0.00 0.00 178.44 179.20 2k2e n ALA 113 N -2.49 2.04 -0.10 1.53 0.00 -0.32 -3.08 120.51 118.09 2k2e n ALA 113 Ca -0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 2k2e n ALA 113 Cb 0.28 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.24 2k2e n ALA 113 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2k2e n MET 114 N -1.54 0.65 0.00 0.00 2.81 -0.45 -5.01 117.12 113.57 2k2e n MET 114 Ca 0.05 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 2k2e n MET 114 Cb 0.27 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 1.85 0.05 3.68 3.03 0.00 0.26 -4.97 105.19 109.08 2k2e n GLY 115 Ca -0.44 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.80 5.33 -0.22 1.61 1.01 0.39 -4.41 120.40 123.32 2k2e s VAL 116 Ca 0.00 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 2k2e s VAL 116 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2k2e s VAL 116 CO 0.00 0.34 0.37 -0.83 0.00 0.00 0.00 175.10 174.97 2k2e s GLY 117 N 0.93 2.04 -0.34 4.51 0.00 0.77 -3.32 107.32 111.92 2k2e s GLY 117 Ca 0.11 -0.61 -0.18 0.00 0.00 0.00 0.00 44.72 44.04 2k2e s GLY 117 CO 0.04 0.79 0.51 0.14 0.00 0.00 0.00 173.10 174.58 2k2e s VAL 118 N 1.39 5.03 -0.15 1.40 1.01 -1.26 0.25 120.40 128.06 2k2e s VAL 118 Ca 0.17 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 2k2e s VAL 118 Cb -0.15 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2k2e s VAL 118 CO 0.08 -0.18 -0.09 -1.61 0.00 0.00 0.00 175.10 173.30 2k2e s GLU 119 N 2.37 3.46 -0.40 2.72 0.41 -0.07 -4.97 118.70 122.21 2k2e s GLU 119 Ca 0.19 -0.63 -0.08 0.00 -0.41 0.00 0.00 54.97 54.04 2k2e s GLU 119 Cb -0.15 -2.78 0.08 0.00 -1.78 0.00 0.00 34.13 29.49 2k2e s GLU 119 CO 0.13 0.14 0.22 0.00 -0.49 0.00 0.00 175.26 175.26 2k2e s ALA 120 N 0.58 3.22 0.29 5.21 0.00 -1.26 -0.21 121.76 129.59 2k2e s ALA 120 Ca -0.06 -2.15 0.03 0.00 0.00 0.00 0.00 51.96 49.79 2k2e s ALA 120 Cb -0.15 -2.54 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 2k2e s ALA 120 CO 0.03 -1.62 0.05 1.41 0.00 0.00 0.00 175.76 175.62 2k2e s MET 121 N 1.37 1.53 0.76 0.00 0.00 -0.23 -4.96 119.30 117.79 2k2e s MET 121 Ca 0.03 -1.83 -0.14 0.00 0.00 0.00 0.00 55.69 53.75 2k2e s MET 121 Cb -0.22 -0.72 0.06 0.00 0.00 0.00 0.00 34.83 33.94 2k2e s MET 121 CO 0.01 -0.17 1.18 0.34 0.00 0.00 0.00 175.02 176.38 2k2e s ASP 122 N -3.41 4.05 0.13 1.11 2.15 -1.26 -1.81 116.67 117.62 2k2e s ASP 122 Ca 0.35 2.26 -0.23 0.00 0.43 0.00 0.00 52.55 55.36 2k2e s ASP 122 Cb 0.08 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 40.09 2k2e s ASP 122 CO 0.14 -2.35 1.66 0.74 -0.17 0.00 0.00 175.17 175.18 2k2e h THR 123 N -0.62 0.55 0.09 1.71 2.02 -1.87 0.30 112.91 115.09 2k2e h THR 123 Ca -0.46 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.44 2k2e h THR 123 Cb 1.28 0.55 0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2k2e h THR 123 CO 0.49 0.00 -1.16 1.56 0.37 0.00 0.00 175.52 176.77 2k2e h GLN 124 N -0.24 0.51 -0.36 6.66 4.20 -1.96 -2.43 115.11 121.49 2k2e h GLN 124 Ca 0.09 -0.67 -0.00 0.00 0.06 0.00 0.00 58.65 58.13 2k2e h GLN 124 Cb 0.36 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2k2e h GLN 124 CO -0.24 1.28 0.22 0.00 -0.67 0.00 0.00 178.83 179.42 2k2e h ALA 125 N 0.46 0.46 -0.36 3.87 0.00 -1.89 0.13 119.26 121.94 2k2e h ALA 125 Ca -0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2k2e h ALA 125 Cb 1.84 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2k2e h ALA 125 CO 0.21 -0.05 0.02 0.00 0.00 0.00 0.00 179.25 179.43 2k2e h ALA 126 N 1.10 0.49 -0.71 0.00 0.00 -0.46 -0.33 119.26 119.35 2k2e h ALA 126 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k2e h ALA 126 Cb -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2k2e h ALA 126 CO -0.03 0.24 0.46 0.00 0.00 0.00 0.00 179.25 179.92 2k2e h ALA 127 N 0.88 0.91 0.15 0.00 0.00 -1.21 0.97 119.26 120.96 2k2e h ALA 127 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2k2e h ALA 127 Cb 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k2e h ALA 127 CO 0.02 0.29 -0.07 -0.09 0.00 0.00 0.00 179.25 179.39 2k2e h ARG 128 N 0.93 -0.19 -0.73 0.00 2.43 -0.57 -2.61 114.38 113.64 2k2e h ARG 128 Ca 0.27 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2k2e h ARG 128 Cb -0.07 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2k2e h ARG 128 CO -0.07 0.06 0.48 1.15 -1.51 0.00 0.00 179.97 180.08 2k2e h THR 129 N -0.42 1.12 -0.43 0.20 2.02 -0.83 -1.39 112.91 113.18 2k2e h THR 129 Ca -0.02 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.88 2k2e h THR 129 Cb 0.33 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 2k2e h THR 129 CO 0.03 0.17 0.22 0.22 0.37 0.00 0.00 175.52 176.53 2k2e h TYR 130 N 0.91 0.41 -0.54 3.16 3.20 -0.70 0.85 116.97 124.26 2k2e h TYR 130 Ca 0.29 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 2k2e h TYR 130 Cb 0.03 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2k2e h TYR 130 CO -0.00 0.22 0.11 -0.91 -1.64 0.00 0.00 178.16 175.93 2k2e h ASN 131 N 0.45 0.80 -0.19 -2.11 2.35 -0.90 0.37 115.58 116.34 2k2e h ASN 131 Ca 0.18 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2k2e h ASN 131 Cb 0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2k2e h ASN 131 CO -0.12 0.80 -0.02 0.40 -1.65 0.00 0.00 177.43 176.84 2k2e h ILE 132 N 0.81 1.27 0.00 2.81 2.04 -0.71 -2.33 117.51 121.40 2k2e h ILE 132 Ca 0.17 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 2k2e h ILE 132 Cb 0.33 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2k2e h ILE 132 CO 0.00 0.28 -0.19 -0.07 0.00 0.00 0.00 178.15 178.18 2k2e h LEU 133 N 0.09 0.00 -0.19 1.44 3.38 -0.65 -1.85 115.31 117.53 2k2e h LEU 133 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2k2e h LEU 133 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2k2e h LEU 133 CO 0.01 0.19 0.04 -0.03 0.09 0.00 0.00 178.44 178.74 2k2e h MET 134 N 0.00 0.32 0.00 1.13 4.05 -0.62 -1.34 114.93 118.46 2k2e h MET 134 Ca -0.00 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 2k2e h MET 134 Cb 0.59 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.35 2k2e h MET 134 CO 0.02 0.46 -0.10 0.00 0.23 0.00 0.00 176.91 177.53 2k2e h ALA 135 N 0.84 1.02 0.00 0.39 0.00 -1.07 -1.40 119.26 119.04 2k2e h ALA 135 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k2e h ALA 135 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k2e h ALA 135 CO 0.00 0.12 0.00 -1.91 0.00 0.00 0.00 179.25 177.47 2k2e n GLU 136 N -3.24 0.09 -2.42 0.00 2.13 -0.73 -4.91 120.64 111.56 2k2e n GLU 136 Ca 0.00 0.14 -0.11 0.00 0.66 0.00 0.00 57.16 57.85 2k2e n GLU 136 Cb 0.35 -1.62 0.01 0.00 0.27 0.00 0.00 31.44 30.45 2k2e n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k2e n GLY 137 N 1.08 0.01 3.90 8.31 0.00 -0.53 -5.02 105.19 112.95 2k2e n GLY 137 Ca 0.06 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.82 3.36 -0.99 1.61 3.52 -0.56 -5.02 118.95 116.06 2k2e s ARG 138 Ca 0.08 -0.49 -0.23 0.00 -0.13 0.00 0.00 55.73 54.95 2k2e s ARG 138 Cb -0.03 -2.99 0.04 0.00 -1.56 0.00 0.00 34.95 30.40 2k2e s ARG 138 CO 0.09 0.60 1.50 1.03 -0.81 0.00 0.00 175.30 177.71 2k2e s ARG 139 N -2.55 3.43 -0.03 5.12 0.52 -1.26 -4.67 118.95 119.51 2k2e s ARG 139 Ca 0.34 -0.95 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 2k2e s ARG 139 Cb -0.13 -5.24 -0.01 0.00 0.52 0.00 0.00 34.95 30.09 2k2e s ARG 139 CO 0.27 -2.35 -0.21 0.54 0.02 0.00 0.00 175.30 173.57 2k2e s VAL 140 N 5.67 1.70 -0.09 3.52 0.11 -1.26 -1.50 120.40 128.54 2k2e s VAL 140 Ca 0.48 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2k2e s VAL 140 Cb -0.01 -1.43 -0.01 0.00 -1.53 0.00 0.00 36.38 33.39 2k2e s VAL 140 CO -0.07 0.48 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.31 2k2e s VAL 141 N -0.28 2.66 -0.11 2.04 1.01 -0.44 -4.40 120.40 120.89 2k2e s VAL 141 Ca 0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 2k2e s VAL 141 Cb -0.10 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2k2e s VAL 141 CO 0.01 0.55 -0.07 0.54 0.00 0.00 0.00 175.10 176.13 2k2e s VAL 142 N 0.01 3.63 -0.19 2.92 0.11 -0.56 -0.04 120.40 126.29 2k2e s VAL 142 Ca -0.06 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 2k2e s VAL 142 Cb -0.15 -2.53 0.05 0.00 -1.53 0.00 0.00 36.38 32.22 2k2e s VAL 142 CO 0.05 0.55 -0.06 0.00 -3.33 0.00 0.00 175.10 172.31 2k2e s ALA 143 N -0.22 1.71 -0.15 1.54 0.00 0.63 -1.08 121.76 124.19 2k2e s ALA 143 Ca 0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 2k2e s ALA 143 Cb -0.13 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2k2e s ALA 143 CO 0.03 -0.91 -0.06 -0.51 0.00 0.00 0.00 175.76 174.31 2k2e s LEU 144 N 1.53 3.10 -0.53 0.00 1.43 -0.20 0.25 118.68 124.25 2k2e s LEU 144 Ca -0.01 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 2k2e s LEU 144 Cb -0.16 -1.74 0.13 0.00 0.03 0.00 0.00 46.19 44.45 2k2e s LEU 144 CO -0.07 0.16 0.45 -0.76 0.23 0.00 0.00 176.35 176.35 2k2e s LEU 145 N 0.42 5.97 0.84 1.79 1.43 -0.80 -2.33 118.68 126.01 2k2e s LEU 145 Ca -0.05 -1.96 -0.10 0.00 -1.03 0.00 0.00 54.13 50.98 2k2e s LEU 145 Cb -0.15 -2.10 0.15 0.00 0.03 0.00 0.00 46.19 44.12 2k2e s LEU 145 CO 0.03 -0.74 1.17 -2.16 0.23 0.00 0.00 176.35 174.89 2k2e s PRO 146 N 1.31 1.29 0.04 1.29 0.04 -1.26 -3.45 135.00 134.26 2k2e s PRO 146 Ca 0.06 -0.52 0.01 0.00 0.04 0.00 0.00 61.00 60.58 2k2e s PRO 146 Cb -0.26 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.25 2k2e s PRO 146 CO 0.00 -1.89 0.06 -3.47 0.04 0.00 0.00 177.00 171.74 2k2e n ASP 147 N -3.34 0.14 0.00 6.66 -0.08 -1.26 -4.80 116.55 113.87 2k2e n ASP 147 Ca 0.13 -1.11 0.00 0.00 -1.51 0.00 0.00 54.79 52.31 2k2e n ASP 147 Cb 0.60 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.03 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 4.47 0.02 0.09 0.27 0.00 -1.26 -4.87 105.19 103.91 2k2e n GLY 148 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.53 0.10 1.61 8.00 -1.26 -4.37 116.55 121.15 2k2e n ASP 149 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 2k2e n ASP 149 Cb 0.00 0.99 0.10 0.00 -0.02 0.00 0.00 41.12 42.19 2k2e n ASP 149 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2k2e h SER 150 N 0.00 0.20 -2.63 -2.24 0.02 -2.00 -3.38 113.55 103.51 2k2e h SER 150 Ca -0.47 -0.12 -0.59 0.00 -0.84 0.00 0.00 61.79 59.77 2k2e h SER 150 Cb 2.07 -0.06 -0.11 0.00 0.14 0.00 0.00 62.40 64.43 2k2e h SER 150 CO 0.03 0.81 0.76 -0.76 -1.14 0.00 0.00 176.83 176.52 2k2e s LEU 151 N -7.72 3.85 0.43 5.07 1.43 -1.26 -5.00 118.68 115.47 2k2e s LEU 151 Ca -0.03 -0.66 -0.26 0.00 -1.03 0.00 0.00 54.13 52.15 2k2e s LEU 151 Cb 0.12 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 2k2e s LEU 151 CO 0.80 -1.57 1.38 -1.61 0.23 0.00 0.00 176.35 175.57 2k2e s GLU 152 N 4.73 3.83 -0.44 1.70 2.02 -1.26 -4.92 118.70 124.36 2k2e s GLU 152 Ca 0.29 2.32 -0.11 0.00 0.02 0.00 0.00 54.97 57.48 2k2e s GLU 152 Cb -0.13 -2.72 0.08 0.00 0.10 0.00 0.00 34.13 31.47 2k2e s GLU 152 CO 0.14 -0.66 0.31 -1.01 0.02 0.00 0.00 175.26 174.05 2k2e s HIS 153 N -1.22 3.32 0.06 1.61 3.76 -1.26 -4.93 115.29 116.63 2k2e s HIS 153 Ca 0.59 -1.41 -0.18 0.00 -0.15 0.00 0.00 55.06 53.91 2k2e s HIS 153 Cb -0.41 -3.08 -0.13 0.00 1.11 0.00 0.00 32.58 30.07 2k2e s HIS 153 CO 0.53 -0.85 1.35 1.25 -0.85 0.00 0.00 174.74 176.18 2k2e h HIS 154 N 8.51 0.63 -3.63 1.40 2.76 -1.98 -3.35 115.15 119.49 2k2e h HIS 154 Ca -0.24 -0.20 -0.62 0.00 -2.20 0.00 0.00 60.37 57.11 2k2e h HIS 154 Cb 1.09 -0.13 -0.12 0.00 1.55 0.00 0.00 27.41 29.80 2k2e h HIS 154 CO 0.62 0.90 0.45 -3.38 -1.30 0.00 0.00 177.93 175.22 2k2e s HIS 155 N -4.22 2.98 0.01 5.26 -3.43 -1.26 -4.95 115.29 109.67 2k2e s HIS 155 Ca -0.13 0.30 -0.10 0.00 -0.80 0.00 0.00 55.06 54.33 2k2e s HIS 155 Cb 0.07 -3.75 -0.32 0.00 -1.43 0.00 0.00 32.58 27.15 2k2e s HIS 155 CO 0.79 -1.00 0.91 1.25 -2.00 0.00 0.00 174.74 174.70 2k2e h HIS 156 N 8.95 0.72 0.00 0.38 2.76 -2.01 -3.30 115.15 122.65 2k2e h HIS 156 Ca -0.24 -0.53 0.00 0.00 -2.20 0.00 0.00 60.37 57.40 2k2e h HIS 156 Cb 1.08 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.01 2k2e h HIS 156 CO 0.83 1.50 -0.76 -2.39 -1.30 0.00 0.00 177.93 175.81 2k2e n HIS 157 N -3.60 0.04 -0.48 5.26 1.44 -1.26 -5.04 115.22 111.57 2k2e n HIS 157 Ca -0.17 0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 2k2e n HIS 157 Cb 1.07 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 31.00 2k2e n HIS 157 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11