#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 3.78 -0.19 0.03 1.02 -1.26 -5.01 119.74 118.11 2k2e s LYS 2 Ca 0.00 0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 2k2e s LYS 2 Cb 0.00 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2k2e s LYS 2 CO 0.00 -0.60 1.40 -0.51 -0.92 0.00 0.00 175.35 174.72 2k2e s LEU 3 N 2.52 4.07 -0.07 3.17 1.43 -1.26 -4.97 118.68 123.57 2k2e s LEU 3 Ca 0.22 1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 54.66 2k2e s LEU 3 Cb -0.15 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 2k2e s LEU 3 CO 0.13 -0.97 1.16 -1.00 0.23 0.00 0.00 176.35 175.90 2k2e s HIS 4 N 4.14 3.24 -0.54 0.29 3.76 -1.26 -4.99 115.29 119.93 2k2e s HIS 4 Ca 0.61 1.29 -0.21 0.00 -0.15 0.00 0.00 55.06 56.60 2k2e s HIS 4 Cb -0.23 -3.38 0.06 0.00 1.11 0.00 0.00 32.58 30.15 2k2e s HIS 4 CO 0.22 -1.10 0.76 0.99 -0.85 0.00 0.00 174.74 174.76 2k2e s THR 5 N 2.25 4.67 -0.50 1.30 2.01 -1.26 -5.01 115.64 119.09 2k2e s THR 5 Ca 0.54 -0.31 -0.23 0.00 0.31 0.00 0.00 61.69 62.00 2k2e s THR 5 Cb -0.23 -4.43 0.04 0.00 0.01 0.00 0.00 72.50 67.89 2k2e s THR 5 CO 0.20 -1.00 0.84 -1.81 -0.69 0.00 0.00 174.62 172.16 2k2e s ASP 6 N 2.94 6.36 -0.22 3.53 1.01 -1.26 -5.02 116.67 124.01 2k2e s ASP 6 Ca 0.20 -0.32 -0.27 0.00 0.71 0.00 0.00 52.55 52.87 2k2e s ASP 6 Cb -0.18 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2k2e s ASP 6 CO 0.13 -1.05 0.93 -2.16 0.21 0.00 0.00 175.17 173.23 2k2e s PRO 7 N 3.51 4.24 -0.23 8.23 0.05 -1.26 -5.03 135.00 144.50 2k2e s PRO 7 Ca 0.28 1.16 -0.15 0.00 0.05 0.00 0.00 61.00 62.34 2k2e s PRO 7 Cb -0.13 -3.63 -0.04 0.00 0.05 0.00 0.00 34.50 30.75 2k2e s PRO 7 CO 0.20 -0.53 0.37 0.00 0.05 0.00 0.00 177.00 177.09 2k2e s ALA 8 N 2.87 3.57 -1.75 8.56 0.00 -1.26 -4.95 121.76 128.79 2k2e s ALA 8 Ca 0.40 -0.67 0.18 0.00 0.00 0.00 0.00 51.96 51.87 2k2e s ALA 8 Cb -0.15 -2.65 1.02 0.00 0.00 0.00 0.00 23.12 21.33 2k2e s ALA 8 CO 0.08 -0.45 1.52 0.25 0.00 0.00 0.00 175.76 177.15 2k2e n THR 9 N 4.68 0.20 0.62 0.00 -2.24 -1.26 -1.69 114.28 114.59 2k2e n THR 9 Ca -0.09 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 2k2e n THR 9 Cb 0.51 -0.76 0.38 0.00 -2.10 0.00 0.00 70.33 68.36 2k2e n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k2e n ALA 10 N -1.12 2.35 -2.91 6.98 0.00 -1.26 -4.49 120.51 120.05 2k2e n ALA 10 Ca 0.12 -0.05 -0.44 0.00 0.00 0.00 0.00 53.44 53.07 2k2e n ALA 10 Cb 0.10 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 2k2e n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k2e s LEU 11 N -4.50 4.95 -0.51 0.00 2.01 -0.68 -4.57 118.68 115.37 2k2e s LEU 11 Ca 0.10 -2.50 -0.27 0.00 0.01 0.00 0.00 54.13 51.47 2k2e s LEU 11 Cb 0.12 -2.41 -0.02 0.00 0.01 0.00 0.00 46.19 43.89 2k2e s LEU 11 CO 0.61 -0.93 1.78 0.20 1.01 0.00 0.00 176.35 179.02 2k2e s ASN 12 N 3.32 5.59 0.12 2.29 0.01 -1.26 -4.96 114.94 120.05 2k2e s ASN 12 Ca 0.39 0.66 0.08 0.00 -0.71 0.00 0.00 52.86 53.28 2k2e s ASN 12 Cb -0.03 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 2k2e s ASN 12 CO -0.04 -2.06 -0.19 -0.89 -1.51 0.00 0.00 177.10 172.41 2k2e s THR 13 N 7.95 1.63 -0.05 1.60 2.01 -1.26 -4.81 115.64 122.71 2k2e s THR 13 Ca 0.70 -1.62 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 2k2e s THR 13 Cb -0.16 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 2k2e s THR 13 CO 0.26 -0.18 1.48 -0.69 -0.69 0.00 0.00 174.62 174.80 2k2e s VAL 14 N -1.48 3.75 -0.24 3.82 1.01 -1.26 -3.77 120.40 122.23 2k2e s VAL 14 Ca 0.08 1.02 0.22 0.00 0.00 0.00 0.00 61.98 63.30 2k2e s VAL 14 Cb -0.08 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2k2e s VAL 14 CO 0.04 -0.05 1.06 0.71 0.00 0.00 0.00 175.10 176.86 2k2e h THR 15 N 5.27 0.03 -1.93 3.92 1.35 -1.08 -3.47 112.91 116.99 2k2e h THR 15 Ca -0.36 -1.05 -0.02 0.00 -0.55 0.00 0.00 66.41 64.42 2k2e h THR 15 Cb 1.16 1.55 -0.22 0.00 -1.73 0.00 0.00 68.15 68.92 2k2e h THR 15 CO 0.94 0.02 0.19 0.00 -0.25 0.00 0.00 175.52 176.41 2k2e s ALA 16 N -3.34 -1.81 0.00 6.62 0.00 -1.03 -5.02 121.76 117.18 2k2e s ALA 16 Ca -0.00 1.96 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2k2e s ALA 16 Cb 0.09 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2k2e s ALA 16 CO 0.79 -0.32 0.04 0.98 0.00 0.00 0.00 175.76 177.24 2k2e n TYR 17 N 2.50 0.00 0.00 0.00 9.36 -1.26 -0.32 117.16 127.44 2k2e n TYR 17 Ca -0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.08 2k2e n TYR 17 Cb 0.55 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 2k2e n TYR 17 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k2e n GLY 18 N 2.26 -0.55 3.32 2.98 0.00 -1.26 -3.52 105.19 108.41 2k2e n GLY 18 Ca 0.00 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 2k2e n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2e s ASP 19 N -2.45 5.37 0.00 1.61 1.01 -1.26 -4.36 116.67 116.59 2k2e s ASP 19 Ca 0.00 -1.00 0.00 0.00 0.71 0.00 0.00 52.55 52.26 2k2e s ASP 19 Cb 0.00 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 42.02 2k2e s ASP 19 CO 0.00 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 175.68 2k2e n GLY 20 N 4.87 0.72 3.83 0.21 0.00 -1.26 -4.98 105.19 108.58 2k2e n GLY 20 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 2k2e n GLY 20 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2e s TYR 21 N -2.10 -0.09 -0.04 1.61 1.13 -1.26 -3.97 117.35 112.63 2k2e s TYR 21 Ca 0.00 -0.37 -0.01 0.00 -1.41 0.00 0.00 57.07 55.28 2k2e s TYR 21 Cb 0.00 0.72 0.03 0.00 -1.10 0.00 0.00 41.96 41.61 2k2e s TYR 21 CO 0.00 -1.19 0.03 0.42 -2.51 0.00 0.00 175.55 172.30 2k2e s ILE 22 N -3.32 0.05 -0.44 -3.49 1.01 0.11 -4.23 121.20 110.89 2k2e s ILE 22 Ca 0.13 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.84 2k2e s ILE 22 Cb -0.04 -0.22 0.03 0.00 0.01 0.00 0.00 42.46 42.23 2k2e s ILE 22 CO 0.07 0.16 0.54 -0.70 0.00 0.00 0.00 174.94 175.01 2k2e s GLU 23 N 1.59 3.17 -0.16 2.79 2.12 0.56 -0.81 118.70 127.95 2k2e s GLU 23 Ca -0.02 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.69 2k2e s GLU 23 Cb -0.13 -3.98 0.00 0.00 0.26 0.00 0.00 34.13 30.29 2k2e s GLU 23 CO -0.03 -0.96 -0.16 0.08 -0.54 0.00 0.00 175.26 173.65 2k2e s VAL 24 N 2.46 2.55 -1.56 3.70 1.01 -0.11 -0.40 120.40 128.04 2k2e s VAL 24 Ca 0.17 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2k2e s VAL 24 Cb -0.16 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2k2e s VAL 24 CO 0.16 0.52 0.00 -3.20 0.00 0.00 0.00 175.10 172.57 2k2e n ASN 25 N 4.22 -5.25 -0.46 3.32 4.05 -1.25 -0.62 115.26 119.27 2k2e n ASN 25 Ca -0.19 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 54.78 2k2e n ASN 25 Cb 0.51 -4.32 -0.03 0.00 1.23 0.00 0.00 39.78 37.18 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k2e n GLN 26 N -2.72 -1.28 -3.43 1.20 6.02 -1.26 -4.97 117.38 110.93 2k2e n GLN 26 Ca -0.21 0.63 -0.43 0.00 -0.01 0.00 0.00 57.00 56.97 2k2e n GLN 26 Cb 0.66 -4.73 -0.10 0.00 1.02 0.00 0.00 30.24 27.09 2k2e n GLN 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2k2e s VAL 27 N -1.79 5.22 -0.77 5.09 1.01 0.20 -5.03 120.40 124.34 2k2e s VAL 27 Ca 0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 2k2e s VAL 27 Cb 0.00 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.51 2k2e s VAL 27 CO 0.00 -0.32 1.09 -0.13 0.00 0.00 0.00 175.10 175.74 2k2e s ARG 28 N 1.79 3.28 -0.34 2.72 0.52 -1.26 -0.94 118.95 124.72 2k2e s ARG 28 Ca 0.07 -0.98 -0.26 0.00 -0.52 0.00 0.00 55.73 54.04 2k2e s ARG 28 Cb -0.18 -4.49 0.01 0.00 0.52 0.00 0.00 34.95 30.81 2k2e s ARG 28 CO 0.11 -1.90 0.93 -0.06 0.02 0.00 0.00 175.30 174.40 2k2e s PHE 29 N 4.10 3.12 -0.28 -0.53 0.08 0.01 -4.83 117.98 119.65 2k2e s PHE 29 Ca 0.29 0.87 0.03 0.00 0.12 0.00 0.00 56.93 58.24 2k2e s PHE 29 Cb -0.11 -3.56 0.36 0.00 -0.57 0.00 0.00 43.02 39.14 2k2e s PHE 29 CO 0.04 -0.75 1.44 -1.13 -0.10 0.00 0.00 175.22 174.72 2k2e n SER 30 N 6.66 3.41 -3.82 1.36 3.41 -1.26 -0.71 113.62 122.67 2k2e n SER 30 Ca 0.07 -2.80 -0.09 0.00 -0.26 0.00 0.00 58.87 55.80 2k2e n SER 30 Cb 0.48 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 2k2e n SER 30 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2k2e s HIS 31 N -1.75 0.27 0.31 7.33 -3.43 -1.26 -2.79 115.29 113.97 2k2e s HIS 31 Ca 0.30 -0.67 -0.29 0.00 -0.80 0.00 0.00 55.06 53.60 2k2e s HIS 31 Cb 0.25 0.34 -0.10 0.00 -1.43 0.00 0.00 32.58 31.64 2k2e s HIS 31 CO 0.06 -1.11 1.42 0.00 -2.00 0.00 0.00 174.74 173.11 2k2e s ALA 32 N -3.78 3.58 0.00 -1.38 0.00 -1.24 -4.73 121.76 114.20 2k2e s ALA 32 Ca 0.20 1.39 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 2k2e s ALA 32 Cb -0.02 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2k2e s ALA 32 CO 0.10 -0.81 0.05 0.96 0.00 0.00 0.00 175.76 176.06 2k2e s ILE 33 N -0.69 0.08 -0.19 0.00 -4.36 -0.46 -0.80 121.20 114.78 2k2e s ILE 33 Ca 0.54 -0.62 0.01 0.00 -0.26 0.00 0.00 60.65 60.32 2k2e s ILE 33 Cb -0.43 -0.29 0.03 0.00 1.25 0.00 0.00 42.46 43.03 2k2e s ILE 33 CO 0.52 -0.34 -0.13 0.00 0.24 0.00 0.00 174.94 175.23 2k2e s ALA 34 N -1.09 2.08 0.09 2.27 0.00 -0.09 0.02 121.76 125.04 2k2e s ALA 34 Ca -0.12 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.67 2k2e s ALA 34 Cb -0.07 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2k2e s ALA 34 CO 0.00 -0.66 -0.07 -0.59 0.00 0.00 0.00 175.76 174.44 2k2e s PHE 35 N 1.37 0.84 0.06 0.00 -0.71 -0.09 0.21 117.98 119.66 2k2e s PHE 35 Ca 0.01 -0.83 -0.01 0.00 -1.04 0.00 0.00 56.93 55.07 2k2e s PHE 35 Cb -0.15 -0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 2k2e s PHE 35 CO -0.09 -0.14 -0.03 0.00 -1.34 0.00 0.00 175.22 173.62 2k2e s ALA 36 N -3.14 0.58 0.09 1.99 0.00 -1.25 -1.13 121.76 118.90 2k2e s ALA 36 Ca 0.07 -1.23 -0.32 0.00 0.00 0.00 0.00 51.96 50.48 2k2e s ALA 36 Cb 0.02 0.27 -0.15 0.00 0.00 0.00 0.00 23.12 23.27 2k2e s ALA 36 CO -0.04 -0.36 1.61 -1.00 0.00 0.00 0.00 175.76 175.97 2k2e h PRO 37 N 3.12 -0.77 -4.42 0.00 0.13 -1.81 -3.35 132.00 124.90 2k2e h PRO 37 Ca -0.34 0.05 -0.71 0.00 -0.87 0.00 0.00 66.00 64.13 2k2e h PRO 37 Cb 1.14 0.18 -0.29 0.00 0.13 0.00 0.00 31.00 32.16 2k2e h PRO 37 CO 0.66 -0.52 -0.46 -1.21 -0.23 0.00 0.00 178.00 176.24 2k2e s GLU 38 N -5.99 2.49 0.00 0.86 2.02 -1.26 -4.78 118.70 112.03 2k2e s GLU 38 Ca -0.17 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.24 2k2e s GLU 38 Cb 0.05 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.51 2k2e s GLU 38 CO 0.63 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2k2e n GLY 39 N 4.87 -0.42 3.97 -1.39 0.00 -1.26 -4.92 105.19 106.04 2k2e n GLY 39 Ca -0.09 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.93 1.61 -0.39 1.61 0.04 -1.26 -4.60 135.00 130.08 2k2e s PRO 40 Ca 0.00 -0.82 -0.06 0.00 0.04 0.00 0.00 61.00 60.17 2k2e s PRO 40 Cb 0.00 -2.22 0.08 0.00 0.04 0.00 0.00 34.50 32.40 2k2e s PRO 40 CO 0.00 -1.56 0.19 0.08 0.04 0.00 0.00 177.00 175.75 2k2e s VAL 41 N -3.28 3.71 -0.12 -0.36 1.01 -1.26 -3.78 120.40 116.32 2k2e s VAL 41 Ca 0.66 -1.57 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 2k2e s VAL 41 Cb -0.06 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2k2e s VAL 41 CO 0.46 -0.47 0.75 0.00 0.00 0.00 0.00 175.10 175.83 2k2e s ALA 42 N 1.31 3.43 -0.28 5.51 0.00 0.13 -4.91 121.76 126.95 2k2e s ALA 42 Ca 0.03 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 2k2e s ALA 42 Cb -0.22 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2k2e s ALA 42 CO -0.00 -0.38 0.58 0.45 0.00 0.00 0.00 175.76 176.40 2k2e s SER 43 N 1.00 6.47 -0.18 0.00 0.15 -1.26 -0.92 113.70 118.96 2k2e s SER 43 Ca 0.37 0.47 -0.12 0.00 0.70 0.00 0.00 55.95 57.37 2k2e s SER 43 Cb -0.17 -2.31 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 2k2e s SER 43 CO 0.15 -0.39 0.20 0.26 1.20 0.00 0.00 173.24 174.66 2k2e s TRP 44 N 2.46 3.44 -0.61 3.44 0.52 0.02 -4.95 118.94 123.25 2k2e s TRP 44 Ca 0.23 0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.81 2k2e s TRP 44 Cb -0.15 -2.24 0.09 0.00 -1.15 0.00 0.00 33.47 30.02 2k2e s TRP 44 CO 0.10 0.28 0.81 -0.35 0.02 0.00 0.00 176.95 177.81 2k2e n PRO 45 N 3.52 1.36 -3.05 4.98 -0.04 -1.26 -3.78 135.00 136.73 2k2e n PRO 45 Ca -0.14 -0.38 -0.39 0.00 -0.04 0.00 0.00 63.50 62.55 2k2e n PRO 45 Cb 0.52 -1.44 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.93 4.68 -0.01 0.52 1.01 -1.26 -4.94 120.40 119.47 2k2e s VAL 46 Ca 0.07 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.61 2k2e s VAL 46 Cb 0.05 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2k2e s VAL 46 CO 0.02 0.42 0.03 0.00 0.00 0.00 0.00 175.10 175.57 2k2e n GLN 47 N 2.44 1.59 -4.06 2.72 1.13 -1.26 -3.73 117.38 116.21 2k2e n GLN 47 Ca -0.05 -0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 54.91 2k2e n GLN 47 Cb 0.50 -1.06 -0.10 0.00 0.11 0.00 0.00 30.24 29.69 2k2e n GLN 47 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2k2e s ARG 48 N -2.12 0.53 0.00 -1.09 1.70 -1.26 -4.79 118.95 111.93 2k2e s ARG 48 Ca -0.01 -0.99 0.09 0.00 -0.47 0.00 0.00 55.73 54.35 2k2e s ARG 48 Cb 0.01 0.07 0.52 0.00 -0.57 0.00 0.00 34.95 34.98 2k2e s ARG 48 CO 0.09 -0.06 0.94 -0.35 -1.08 0.00 0.00 175.30 174.84 2k2e n PRO 49 N 0.72 0.34 0.02 3.89 -0.04 -1.26 -1.72 135.00 136.95 2k2e n PRO 49 Ca -0.18 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2k2e n PRO 49 Cb 0.58 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.91 3.43 0.28 0.55 0.00 -1.26 -4.07 120.51 118.53 2k2e n ALA 50 Ca 0.07 -0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.22 2k2e n ALA 50 Cb 0.03 -0.95 0.33 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.42 0.00 3.32 -1.76 -3.45 116.42 112.11 2k2e h ASP 51 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2k2e h ASP 51 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2k2e h ASP 51 CO 0.00 0.00 1.23 -0.63 -1.72 0.00 0.00 179.24 178.12 2k2e s ILE 52 N -3.31 3.24 0.46 0.35 1.01 -1.26 -4.96 121.20 116.73 2k2e s ILE 52 Ca 0.06 0.29 0.03 0.00 0.00 0.00 0.00 60.65 61.03 2k2e s ILE 52 Cb 0.07 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2k2e s ILE 52 CO 0.62 -0.06 0.02 0.42 0.00 0.00 0.00 174.94 175.94 2k2e s THR 53 N 5.15 1.34 0.36 2.92 -4.23 -1.26 -5.02 115.64 114.89 2k2e s THR 53 Ca 0.85 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.46 2k2e s THR 53 Cb -0.36 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.11 2k2e s THR 53 CO 0.36 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.26 2k2e h ALA 54 N 1.56 1.35 -0.40 3.99 0.00 -1.94 -1.83 119.26 122.00 2k2e h ALA 54 Ca -0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 2k2e h ALA 54 Cb 1.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2k2e h ALA 54 CO 0.74 0.47 0.19 0.77 0.00 0.00 0.00 179.25 181.42 2k2e h SER 55 N 0.08 0.52 0.41 0.00 0.02 -1.96 -2.22 113.55 110.41 2k2e h SER 55 Ca 0.01 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 2k2e h SER 55 Cb 0.64 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2k2e h SER 55 CO 0.05 0.50 -0.47 -0.07 -1.14 0.00 0.00 176.83 175.69 2k2e h LEU 56 N 0.50 0.07 -1.01 5.07 3.38 -1.85 -2.31 115.31 119.17 2k2e h LEU 56 Ca 0.14 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2k2e h LEU 56 Cb 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2k2e h LEU 56 CO -0.02 0.53 0.23 -0.07 0.09 0.00 0.00 178.44 179.20 2k2e h LEU 57 N 0.06 0.86 -0.81 1.67 3.38 -1.03 0.17 115.31 119.62 2k2e h LEU 57 Ca 0.00 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2k2e h LEU 57 Cb 0.85 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2k2e h LEU 57 CO 0.06 0.79 0.04 1.56 0.09 0.00 0.00 178.44 180.99 2k2e h GLN 58 N 0.92 0.93 -0.35 1.13 4.20 -0.88 -1.30 115.11 119.77 2k2e h GLN 58 Ca 0.21 -0.25 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 2k2e h GLN 58 Cb 0.22 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2k2e h GLN 58 CO -0.01 0.90 -0.18 1.96 -0.67 0.00 0.00 178.83 180.83 2k2e h GLN 59 N 0.87 0.74 0.00 1.46 4.20 -0.99 -3.08 115.11 118.31 2k2e h GLN 59 Ca 0.17 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 2k2e h GLN 59 Cb 0.46 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2k2e h GLN 59 CO 0.02 0.94 -0.17 0.00 -0.67 0.00 0.00 178.83 178.95 2k2e h ALA 60 N 0.78 1.36 0.00 3.87 0.00 -0.42 -0.79 119.26 124.05 2k2e h ALA 60 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k2e h ALA 60 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k2e h ALA 60 CO 0.05 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2k2e n ALA 61 N -2.34 1.90 -2.18 0.00 0.00 -0.51 -4.80 120.51 112.59 2k2e n ALA 61 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 2k2e n ALA 61 Cb 0.27 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 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 0.52 0.01 0.00 0.00 0.00 -0.30 -4.51 105.19 100.90 2k2e n GLY 62 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.25 0.96 -3.33 0.99 4.77 -1.25 -4.81 117.00 112.09 2k2e n LEU 63 Ca -0.19 0.43 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 2k2e n LEU 63 Cb 0.63 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2k2e n LEU 63 CO 0.23 -0.21 0.13 0.00 -1.33 0.00 0.00 177.39 176.21 2k2e n ALA 64 N -1.13 -2.60 -0.03 -1.18 0.00 -1.26 -4.94 120.51 109.37 2k2e n ALA 64 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 2k2e n ALA 64 Cb 0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 19.45 17.86 2k2e n ALA 64 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k2e h GLU 65 N 0.06 0.56 -5.52 0.00 4.81 -1.98 -3.40 114.58 109.12 2k2e h GLU 65 Ca -0.25 -0.44 -0.63 0.00 -0.13 0.00 0.00 59.36 57.92 2k2e h GLU 65 Cb 1.15 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.49 2k2e h GLU 65 CO 0.33 1.06 0.17 0.54 -0.73 0.00 0.00 179.01 180.38 2k2e s VAL 66 N -3.76 4.88 -0.17 0.32 0.11 -1.26 -5.04 120.40 115.49 2k2e s VAL 66 Ca -0.12 0.66 -0.21 0.00 -2.93 0.00 0.00 61.98 59.38 2k2e s VAL 66 Cb 0.06 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.80 2k2e s VAL 66 CO 0.83 -0.30 0.62 -0.69 -3.33 0.00 0.00 175.10 172.24 2k2e s VAL 67 N 2.73 5.05 0.19 2.04 1.01 -1.26 -4.95 120.40 125.20 2k2e s VAL 67 Ca 0.25 1.19 -0.09 0.00 0.00 0.00 0.00 61.98 63.34 2k2e s VAL 67 Cb -0.14 -3.94 0.10 0.00 0.00 0.00 0.00 36.38 32.39 2k2e s VAL 67 CO 0.14 0.16 1.69 0.03 0.00 0.00 0.00 175.10 177.12 2k2e h ARG 68 N 7.28 1.12 -3.77 2.72 3.08 -1.96 -3.35 114.38 119.50 2k2e h ARG 68 Ca -0.34 -0.30 -0.64 0.00 0.07 0.00 0.00 59.98 58.77 2k2e h ARG 68 Cb 1.16 -0.13 -0.40 0.00 0.08 0.00 0.00 29.97 30.67 2k2e h ARG 68 CO 0.77 1.02 -0.69 -0.51 -1.07 0.00 0.00 179.97 179.49 2k2e s ASP 69 N -6.50 4.34 0.05 7.04 1.01 -1.26 -5.09 116.67 116.26 2k2e s ASP 69 Ca -0.12 -2.55 -0.30 0.00 0.71 0.00 0.00 52.55 50.29 2k2e s ASP 69 Cb 0.14 -1.47 -0.09 0.00 1.01 0.00 0.00 42.92 42.51 2k2e s ASP 69 CO 0.85 -0.30 1.88 -2.16 0.21 0.00 0.00 175.17 175.65 2k2e s PRO 70 N 0.38 4.15 -0.03 8.23 0.04 -1.26 -4.89 135.00 141.62 2k2e s PRO 70 Ca 0.14 2.55 -0.18 0.00 0.04 0.00 0.00 61.00 63.55 2k2e s PRO 70 Cb -0.23 -3.98 -0.32 0.00 0.04 0.00 0.00 34.50 30.01 2k2e s PRO 70 CO -0.05 -0.90 0.86 -0.07 0.04 0.00 0.00 177.00 176.87 2k2e h LEU 71 N 9.99 0.61 -7.72 -3.56 3.38 -1.98 -3.40 115.31 112.62 2k2e h LEU 71 Ca -0.47 -0.93 -0.69 0.00 0.09 0.00 0.00 57.88 55.88 2k2e h LEU 71 Cb 1.22 -0.20 -0.35 0.00 0.09 0.00 0.00 40.66 41.42 2k2e h LEU 71 CO 0.94 1.59 -0.50 0.00 0.09 0.00 0.00 178.44 180.56 2k2e s ALA 72 N -2.51 3.29 -0.25 1.53 0.00 -1.26 -5.07 121.76 117.49 2k2e s ALA 72 Ca -0.13 -2.80 -0.29 0.00 0.00 0.00 0.00 51.96 48.74 2k2e s ALA 72 Cb 0.03 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2k2e s ALA 72 CO 0.87 -1.90 1.17 0.12 0.00 0.00 0.00 175.76 176.01 2k2e s PHE 73 N 0.69 3.01 -0.12 0.00 5.36 -1.26 -5.01 117.98 120.66 2k2e s PHE 73 Ca 0.11 1.14 -0.20 0.00 -0.96 0.00 0.00 56.93 57.03 2k2e s PHE 73 Cb -0.22 -3.57 -0.04 0.00 -0.34 0.00 0.00 43.02 38.85 2k2e s PHE 73 CO -0.04 -1.16 0.57 -0.51 -1.46 0.00 0.00 175.22 172.61 2k2e s LEU 74 N 3.64 4.25 0.00 6.12 1.43 -1.26 -4.94 118.68 127.93 2k2e s LEU 74 Ca 0.50 0.91 0.31 0.00 -1.03 0.00 0.00 54.13 54.82 2k2e s LEU 74 Cb -0.17 -2.83 1.70 0.00 0.03 0.00 0.00 46.19 44.92 2k2e s LEU 74 CO 0.14 -0.09 2.11 -0.90 0.23 0.00 0.00 176.35 177.84 2k2e n ASP 75 N 4.02 0.32 -2.57 2.29 5.75 -1.26 -4.96 116.55 120.14 2k2e n ASP 75 Ca -0.04 -1.05 -0.05 0.00 -0.01 0.00 0.00 54.79 53.63 2k2e n ASP 75 Cb 0.51 -0.01 0.01 0.00 -1.03 0.00 0.00 41.12 40.59 2k2e n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2k2e n GLU 76 N -0.78 -2.14 -0.06 0.11 1.02 -1.26 -4.93 120.64 112.61 2k2e n GLU 76 Ca 0.22 1.94 0.11 0.00 -0.02 0.00 0.00 57.16 59.41 2k2e n GLU 76 Cb 0.17 -4.83 0.43 0.00 -0.02 0.00 0.00 31.44 27.18 2k2e n GLU 76 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2k2e n PRO 77 N -0.14 1.62 -4.00 3.49 -0.04 -1.26 -4.89 135.00 129.77 2k2e n PRO 77 Ca 0.08 -0.93 -0.08 0.00 -0.04 0.00 0.00 63.50 62.52 2k2e n PRO 77 Cb 0.29 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 2k2e n PRO 77 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2k2e s GLU 78 N -1.85 0.58 -0.02 0.54 2.12 -1.26 -5.05 118.70 113.76 2k2e s GLU 78 Ca 0.33 -0.96 0.04 0.00 0.36 0.00 0.00 54.97 54.73 2k2e s GLU 78 Cb 0.17 0.21 0.05 0.00 0.26 0.00 0.00 34.13 34.83 2k2e s GLU 78 CO 0.27 -0.13 1.02 0.00 -0.54 0.00 0.00 175.26 175.88 2k2e n ALA 79 N 0.52 2.03 -0.58 6.30 0.00 -1.26 -4.95 120.51 122.57 2k2e n ALA 79 Ca -0.17 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 51.97 2k2e n ALA 79 Cb 0.59 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.27 0.68 3.48 0.00 0.00 -1.26 -5.06 105.19 102.75 2k2e n GLY 80 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e s ALA 81 N -3.63 -0.73 0.19 4.61 0.00 -1.26 -5.17 121.76 115.76 2k2e s ALA 81 Ca 0.00 -0.37 0.11 0.00 0.00 0.00 0.00 51.96 51.71 2k2e s ALA 81 Cb 0.00 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2k2e s ALA 81 CO 0.00 -0.77 -0.23 0.20 0.00 0.00 0.00 175.76 174.96 2k2e s GLY 82 N -2.89 1.70 -0.26 0.00 0.00 -1.26 -5.10 107.32 99.50 2k2e s GLY 82 Ca 0.11 -1.61 -0.10 0.00 0.00 0.00 0.00 44.72 43.12 2k2e s GLY 82 CO -0.02 -1.63 0.16 0.00 0.00 0.00 0.00 173.10 171.61 2k2e s ALA 83 N -1.61 3.47 0.52 3.20 0.00 -1.26 -5.09 121.76 121.00 2k2e s ALA 83 Ca 0.20 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 2k2e s ALA 83 Cb -0.08 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.61 2k2e s ALA 83 CO 0.10 -0.45 0.96 1.03 0.00 0.00 0.00 175.76 177.39 2k2e s ARG 84 N 1.57 3.86 0.22 0.00 0.52 -1.26 -4.97 118.95 118.88 2k2e s ARG 84 Ca 0.07 0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 56.00 2k2e s ARG 84 Cb -0.15 -2.17 0.31 0.00 0.52 0.00 0.00 34.95 33.46 2k2e s ARG 84 CO 0.08 -0.29 1.64 -1.35 0.02 0.00 0.00 175.30 175.40 2k2e h PRO 85 N 0.73 0.05 0.00 3.54 0.11 -2.01 -3.45 132.00 130.98 2k2e h PRO 85 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k2e h PRO 85 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k2e h PRO 85 CO 0.62 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 2k2e n ALA 86 N -2.97 0.00 -0.56 -0.75 0.00 -1.26 -4.75 120.51 110.22 2k2e n ALA 86 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.64 2k2e n ALA 86 Cb 0.37 -0.69 0.35 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.08 4.55 -4.77 0.00 3.02 -1.26 -4.98 115.26 111.75 2k2e n ASN 87 Ca 0.00 -2.33 -0.32 0.00 -0.03 0.00 0.00 54.58 51.90 2k2e n ASN 87 Cb 0.04 -0.55 0.07 0.00 -0.61 0.00 0.00 39.78 38.73 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2e s ALA 88 N -1.62 2.35 -0.32 5.41 0.00 -1.26 -4.88 121.76 121.44 2k2e s ALA 88 Ca 0.51 0.33 -0.35 0.00 0.00 0.00 0.00 51.96 52.45 2k2e s ALA 88 Cb 0.31 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 20.04 2k2e s ALA 88 CO 0.27 -1.58 2.13 -0.35 0.00 0.00 0.00 175.76 176.23 2k2e n PRO 89 N -3.16 1.20 0.09 0.00 -0.04 -1.26 -4.81 135.00 127.02 2k2e n PRO 89 Ca 0.09 0.35 -0.03 0.00 -0.04 0.00 0.00 63.50 63.88 2k2e n PRO 89 Cb 0.53 -2.47 0.21 0.00 -0.04 0.00 0.00 33.50 31.73 2k2e n PRO 89 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k2e h GLU 90 N 11.75 0.24 -3.94 0.54 4.81 -0.96 -3.39 114.58 123.63 2k2e h GLU 90 Ca -0.31 -0.12 -0.37 0.00 -0.13 0.00 0.00 59.36 58.43 2k2e h GLU 90 Cb 1.31 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 30.37 2k2e h GLU 90 CO 1.01 0.64 -0.76 0.54 -0.73 0.00 0.00 179.01 179.71 2k2e s VAL 91 N -4.07 0.37 -0.21 0.32 0.11 -0.80 -1.71 120.40 114.42 2k2e s VAL 91 Ca -0.04 -0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2k2e s VAL 91 Cb 0.13 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 2k2e s VAL 91 CO 0.78 0.17 -0.07 -0.22 -3.33 0.00 0.00 175.10 172.43 2k2e s LEU 92 N 0.79 2.80 -0.47 2.54 2.96 0.14 -2.39 118.68 125.05 2k2e s LEU 92 Ca -0.09 -0.41 -0.14 0.00 -0.22 0.00 0.00 54.13 53.27 2k2e s LEU 92 Cb -0.12 -1.70 0.08 0.00 0.50 0.00 0.00 46.19 44.95 2k2e s LEU 92 CO -0.01 0.00 0.38 -0.76 -1.32 0.00 0.00 176.35 174.65 2k2e s LEU 93 N 1.32 5.61 -0.33 -0.68 1.43 0.41 -0.21 118.68 126.23 2k2e s LEU 93 Ca 0.04 -1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 51.57 2k2e s LEU 93 Cb -0.14 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 2k2e s LEU 93 CO -0.03 -0.65 0.39 -0.69 0.23 0.00 0.00 176.35 175.59 2k2e s VAL 94 N 1.60 5.15 -0.32 -1.59 1.01 -0.27 -0.15 120.40 125.82 2k2e s VAL 94 Ca 0.04 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 2k2e s VAL 94 Cb -0.25 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2k2e s VAL 94 CO 0.05 -0.05 0.14 -0.83 0.00 0.00 0.00 175.10 174.41 2k2e s GLY 95 N 1.72 1.85 0.46 4.51 0.00 0.13 -0.85 107.32 115.14 2k2e s GLY 95 Ca 0.14 -1.47 0.25 0.00 0.00 0.00 0.00 44.72 43.64 2k2e s GLY 95 CO 0.12 0.71 1.73 -0.91 0.00 0.00 0.00 173.10 174.74 2k2e h THR 96 N 5.77 0.15 0.00 0.90 1.35 -0.73 -2.77 112.91 117.58 2k2e h THR 96 Ca -0.31 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 2k2e h THR 96 Cb 1.13 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2k2e h THR 96 CO 0.62 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 2k2e n GLY 97 N 0.69 1.58 0.06 5.82 0.00 -1.26 -4.35 105.19 107.73 2k2e n GLY 97 Ca 0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -2.01 1.61 3.08 -1.81 -3.41 114.38 111.83 2k2e h ARG 98 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2k2e h ARG 98 Cb 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.85 2k2e h ARG 98 CO 0.00 0.47 0.15 0.50 -1.07 0.00 0.00 179.97 180.02 2k2e s ARG 99 N -1.91 0.91 -0.25 0.04 3.52 -1.26 -5.10 118.95 114.90 2k2e s ARG 99 Ca -0.10 0.74 -0.35 0.00 -0.13 0.00 0.00 55.73 55.89 2k2e s ARG 99 Cb -0.01 0.44 -0.11 0.00 -1.56 0.00 0.00 34.95 33.71 2k2e s ARG 99 CO 0.33 -0.18 2.03 1.04 -0.81 0.00 0.00 175.30 177.72 2k2e n GLN 100 N 2.08 1.51 -3.35 5.12 6.02 -1.26 -4.75 117.38 122.76 2k2e n GLN 100 Ca -0.16 0.49 -0.42 0.00 -0.01 0.00 0.00 57.00 56.90 2k2e n GLN 100 Cb 0.56 -2.54 -0.09 0.00 1.02 0.00 0.00 30.24 29.19 2k2e n GLN 100 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2k2e s HIS 101 N 5.86 3.18 -0.67 1.08 5.65 -1.26 -5.01 115.29 124.12 2k2e s HIS 101 Ca 1.02 -0.25 -0.26 0.00 0.25 0.00 0.00 55.06 55.82 2k2e s HIS 101 Cb -0.79 -2.82 -0.02 0.00 -1.18 0.00 0.00 32.58 27.77 2k2e s HIS 101 CO 0.51 -0.61 1.85 -0.51 -0.65 0.00 0.00 174.74 175.34 2k2e s LEU 102 N 2.09 3.26 0.14 8.88 1.43 -1.26 -4.90 118.68 128.32 2k2e s LEU 102 Ca 0.12 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 2k2e s LEU 102 Cb -0.17 -2.54 -0.07 0.00 0.03 0.00 0.00 46.19 43.45 2k2e s LEU 102 CO 0.13 -2.42 1.09 -0.76 0.23 0.00 0.00 176.35 174.62 2k2e s LEU 103 N 9.11 4.46 0.50 1.79 1.43 -1.26 -5.05 118.68 129.67 2k2e s LEU 103 Ca 0.66 2.02 0.07 0.00 -1.03 0.00 0.00 54.13 55.85 2k2e s LEU 103 Cb -0.11 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.54 2k2e s LEU 103 CO 0.17 -0.25 0.49 -0.83 0.23 0.00 0.00 176.35 176.16 2k2e s GLY 104 N 0.18 2.12 0.44 -3.19 0.00 -1.26 -4.90 107.32 100.71 2k2e s GLY 104 Ca 0.51 -1.70 0.22 0.00 0.00 0.00 0.00 44.72 43.75 2k2e s GLY 104 CO 0.33 -1.78 1.80 -2.55 0.00 0.00 0.00 173.10 170.90 2k2e h PRO 105 N 0.70 0.30 -0.83 2.90 0.11 -1.96 0.07 132.00 133.28 2k2e h PRO 105 Ca -0.37 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.91 2k2e h PRO 105 Cb 1.29 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 2k2e h PRO 105 CO 0.53 0.20 0.33 1.49 -0.21 0.00 0.00 178.00 180.34 2k2e h GLU 106 N 0.30 0.40 0.04 1.05 4.81 -2.01 -0.31 114.58 118.87 2k2e h GLU 106 Ca 0.55 -0.02 -0.37 0.00 -0.13 0.00 0.00 59.36 59.39 2k2e h GLU 106 Cb 1.57 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.81 2k2e h GLU 106 CO -0.20 0.26 -2.25 1.04 -0.73 0.00 0.00 179.01 177.13 2k2e n GLN 107 N -5.04 0.69 0.04 1.92 6.02 -0.10 -4.51 117.38 116.41 2k2e n GLN 107 Ca 0.18 0.18 0.12 0.00 -0.01 0.00 0.00 57.00 57.47 2k2e n GLN 107 Cb 0.54 -1.60 0.10 0.00 1.02 0.00 0.00 30.24 30.29 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 -3.25 0.23 -0.20 5.09 0.24 -0.57 -4.28 118.33 115.59 2k2e n VAL 108 Ca -0.37 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.34 61.66 2k2e n VAL 108 Cb 1.04 0.07 0.07 0.00 -1.47 0.00 0.00 33.84 33.55 2k2e n VAL 108 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2k2e h ARG 109 N 0.00 0.61 -1.20 7.34 1.12 -1.27 0.73 114.38 121.71 2k2e h ARG 109 Ca 0.00 -0.04 0.34 0.00 -1.11 0.00 0.00 59.98 59.18 2k2e h ARG 109 Cb 0.72 -0.14 -0.07 0.00 -0.01 0.00 0.00 29.97 30.47 2k2e h ARG 109 CO 0.00 0.40 0.84 -1.35 -3.11 0.00 0.00 179.97 176.75 2k2e h PRO 110 N 0.63 0.10 0.06 0.20 0.11 -1.82 0.15 132.00 131.43 2k2e h PRO 110 Ca 0.26 -0.01 -0.35 0.00 0.11 0.00 0.00 66.00 66.02 2k2e h PRO 110 Cb 0.13 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 2k2e h PRO 110 CO -0.16 0.07 -2.01 1.28 -0.21 0.00 0.00 178.00 176.97 2k2e n LEU 111 N -4.32 1.95 -0.19 2.35 4.77 -0.50 -4.12 117.00 116.94 2k2e n LEU 111 Ca 0.27 0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.50 2k2e n LEU 111 Cb 1.21 -0.58 0.31 0.00 -2.33 0.00 0.00 43.42 42.03 2k2e n LEU 111 CO 0.35 0.70 1.22 -0.07 -1.33 0.00 0.00 177.39 178.27 2k2e h LEU 112 N 0.04 0.73 -2.12 2.23 3.38 0.56 -0.12 115.31 120.01 2k2e h LEU 112 Ca -0.41 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2k2e h LEU 112 Cb 2.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 2k2e h LEU 112 CO 0.06 0.50 -0.07 0.00 0.09 0.00 0.00 178.44 179.02 2k2e h ALA 113 N 1.59 1.49 0.00 1.53 0.00 -0.93 -0.57 119.26 122.36 2k2e h ALA 113 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2k2e h ALA 113 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k2e h ALA 113 CO -0.09 0.09 -0.48 -1.33 0.00 0.00 0.00 179.25 177.44 2k2e n MET 114 N -3.88 0.13 -0.09 0.00 2.81 -0.16 -4.92 117.12 111.01 2k2e n MET 114 Ca -0.02 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2k2e n MET 114 Cb 0.16 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 1.43 0.95 3.53 3.03 0.00 -0.22 -5.05 105.19 108.85 2k2e n GLY 115 Ca 0.05 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.50 -0.43 1.61 1.01 -0.57 -4.77 120.40 119.75 2k2e s VAL 116 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2k2e s VAL 116 Cb 0.00 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2k2e s VAL 116 CO 0.00 -0.93 1.19 -0.83 0.00 0.00 0.00 175.10 174.53 2k2e s GLY 117 N 2.52 1.30 -0.22 4.51 0.00 -0.69 -3.87 107.32 110.86 2k2e s GLY 117 Ca 0.31 -0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.57 2k2e s GLY 117 CO 0.21 2.47 0.33 0.14 0.00 0.00 0.00 173.10 176.26 2k2e s VAL 118 N 4.52 5.24 -0.19 1.40 1.01 -1.26 0.23 120.40 131.35 2k2e s VAL 118 Ca 0.51 0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.95 2k2e s VAL 118 Cb -0.10 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2k2e s VAL 118 CO 0.29 0.26 0.08 -1.61 0.00 0.00 0.00 175.10 174.12 2k2e s GLU 119 N 1.37 4.01 -0.51 2.72 0.41 0.70 -4.95 118.70 122.45 2k2e s GLU 119 Ca 0.15 -0.32 -0.16 0.00 -0.41 0.00 0.00 54.97 54.23 2k2e s GLU 119 Cb -0.15 -3.28 0.10 0.00 -1.78 0.00 0.00 34.13 29.03 2k2e s GLU 119 CO 0.07 0.24 0.45 0.00 -0.49 0.00 0.00 175.26 175.53 2k2e s ALA 120 N 0.48 3.61 0.06 5.21 0.00 -1.26 -1.11 121.76 128.74 2k2e s ALA 120 Ca 0.04 -2.34 0.01 0.00 0.00 0.00 0.00 51.96 49.68 2k2e s ALA 120 Cb -0.12 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 2k2e s ALA 120 CO 0.00 -1.88 0.05 -1.33 0.00 0.00 0.00 175.76 172.61 2k2e n MET 121 N 5.23 0.08 -3.46 0.00 2.81 -0.03 -4.90 117.12 116.85 2k2e n MET 121 Ca -0.13 -0.60 -0.21 0.00 -1.81 0.00 0.00 57.70 54.95 2k2e n MET 121 Cb 0.42 0.50 -0.01 0.00 -0.71 0.00 0.00 33.22 33.42 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 -1.42 5.09 0.18 7.83 1.01 -1.26 -0.05 116.67 128.05 2k2e s ASP 122 Ca 0.07 -0.77 -0.14 0.00 0.71 0.00 0.00 52.55 52.42 2k2e s ASP 122 Cb 0.00 -0.35 0.17 0.00 1.01 0.00 0.00 42.92 43.75 2k2e s ASP 122 CO 0.05 -0.81 1.69 0.74 0.21 0.00 0.00 175.17 177.05 2k2e h THR 123 N 0.83 0.64 0.00 -1.27 2.02 -1.80 0.21 112.91 113.54 2k2e h THR 123 Ca -0.39 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 2k2e h THR 123 Cb 1.28 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2k2e h THR 123 CO 0.54 0.02 -0.00 -0.61 0.37 0.00 0.00 175.52 175.84 2k2e h GLN 124 N 0.12 -0.00 -0.41 6.66 4.15 -1.96 0.20 115.11 123.88 2k2e h GLN 124 Ca 0.24 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.57 2k2e h GLN 124 Cb 0.35 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 2k2e h GLN 124 CO -0.39 0.12 -0.12 0.00 -1.93 0.00 0.00 178.83 176.51 2k2e h ALA 125 N 0.88 1.03 -0.49 3.38 0.00 -1.86 -2.67 119.26 119.53 2k2e h ALA 125 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2k2e h ALA 125 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2k2e h ALA 125 CO 0.00 0.59 -0.14 0.00 0.00 0.00 0.00 179.25 179.69 2k2e h ALA 126 N 1.21 0.81 -0.01 0.00 0.00 -0.41 -2.71 119.26 118.15 2k2e h ALA 126 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k2e h ALA 126 Cb 0.58 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k2e h ALA 126 CO 0.04 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.95 2k2e h ALA 127 N 1.00 0.02 -0.20 0.00 0.00 -0.63 0.33 119.26 119.77 2k2e h ALA 127 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k2e h ALA 127 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2k2e h ALA 127 CO 0.05 -0.49 0.13 0.00 0.00 0.00 0.00 179.25 178.94 2k2e h ARG 128 N 0.01 0.25 -0.41 0.00 3.08 -1.48 -0.85 114.38 114.99 2k2e h ARG 128 Ca 0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2k2e h ARG 128 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2k2e h ARG 128 CO -0.01 0.17 -0.11 1.15 -1.07 0.00 0.00 179.97 180.11 2k2e h THR 129 N 0.26 1.25 -0.45 2.04 2.02 -1.32 -2.45 112.91 114.26 2k2e h THR 129 Ca 0.08 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.12 2k2e h THR 129 Cb -0.02 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2k2e h THR 129 CO -0.02 0.39 0.29 0.22 0.37 0.00 0.00 175.52 176.76 2k2e h TYR 130 N 0.67 0.58 -0.98 3.16 3.20 0.04 -1.22 116.97 122.42 2k2e h TYR 130 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.03 2k2e h TYR 130 Cb 0.57 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 2k2e h TYR 130 CO 0.03 0.39 0.64 -0.91 -1.64 0.00 0.00 178.16 176.67 2k2e h ASN 131 N 0.61 1.06 0.42 -2.11 -0.26 -0.84 0.24 115.58 114.70 2k2e h ASN 131 Ca 0.16 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 2k2e h ASN 131 Cb -0.04 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 36.99 2k2e h ASN 131 CO -0.03 0.72 -0.20 0.40 -1.06 0.00 0.00 177.43 177.26 2k2e h ILE 132 N 1.23 0.58 -0.13 2.81 2.04 -0.96 0.98 117.51 124.06 2k2e h ILE 132 Ca 0.39 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.99 2k2e h ILE 132 Cb 0.01 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2k2e h ILE 132 CO -0.13 0.03 -0.29 -0.07 0.00 0.00 0.00 178.15 177.70 2k2e h LEU 133 N -0.67 0.24 -0.36 1.44 3.38 -0.96 0.24 115.31 118.61 2k2e h LEU 133 Ca -0.06 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 2k2e h LEU 133 Cb 0.49 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2k2e h LEU 133 CO 0.10 0.53 -0.68 -0.03 0.09 0.00 0.00 178.44 178.44 2k2e h MET 134 N 0.22 0.57 -0.44 1.13 4.05 -0.46 -0.56 114.93 119.45 2k2e h MET 134 Ca 0.03 -0.43 -0.14 0.00 -0.28 0.00 0.00 59.70 58.88 2k2e h MET 134 Cb 0.62 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 2k2e h MET 134 CO 0.05 1.05 -0.28 0.00 0.23 0.00 0.00 176.91 177.96 2k2e h ALA 135 N 0.83 0.68 -0.75 0.39 0.00 -0.25 -2.59 119.26 117.59 2k2e h ALA 135 Ca -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2k2e h ALA 135 Cb 1.27 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2k2e h ALA 135 CO 0.13 0.67 0.49 1.49 0.00 0.00 0.00 179.25 182.03 2k2e h GLU 136 N 0.80 0.86 -0.65 0.00 4.57 -0.44 -3.47 114.58 116.25 2k2e h GLU 136 Ca 0.09 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2k2e h GLU 136 Cb 0.85 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2k2e h GLU 136 CO 0.08 0.57 0.00 0.41 -1.18 0.00 0.00 179.01 178.88 2k2e n GLY 137 N -1.43 0.89 3.63 1.92 0.00 -0.30 -5.08 105.19 104.82 2k2e n GLY 137 Ca 0.10 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.56 2.30 -0.60 1.61 3.52 -0.72 -5.04 118.95 117.47 2k2e s ARG 138 Ca 0.00 -1.11 -0.26 0.00 -0.13 0.00 0.00 55.73 54.23 2k2e s ARG 138 Cb 0.00 -2.32 -0.06 0.00 -1.56 0.00 0.00 34.95 31.01 2k2e s ARG 138 CO 0.00 0.46 2.23 1.03 -0.81 0.00 0.00 175.30 178.21 2k2e s ARG 139 N -2.77 2.20 -0.03 5.12 1.81 -1.26 -4.66 118.95 119.36 2k2e s ARG 139 Ca 0.26 0.93 0.03 0.00 -1.72 0.00 0.00 55.73 55.23 2k2e s ARG 139 Cb -0.10 -4.60 0.00 0.00 -0.45 0.00 0.00 34.95 29.81 2k2e s ARG 139 CO 0.17 -3.31 -0.10 0.54 -0.68 0.00 0.00 175.30 171.92 2k2e s VAL 140 N 11.59 0.84 -0.06 3.52 0.11 -1.26 -0.30 120.40 134.83 2k2e s VAL 140 Ca 0.86 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 59.56 2k2e s VAL 140 Cb -0.14 -0.74 -0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2k2e s VAL 140 CO 0.20 0.26 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.34 2k2e s VAL 141 N 0.13 1.65 -0.11 2.04 1.01 -1.00 -4.20 120.40 119.92 2k2e s VAL 141 Ca -0.02 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2k2e s VAL 141 Cb -0.08 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2k2e s VAL 141 CO 0.00 0.47 -0.17 0.54 0.00 0.00 0.00 175.10 175.94 2k2e s VAL 142 N 0.14 2.66 -0.30 2.92 0.11 -0.29 -0.44 120.40 125.19 2k2e s VAL 142 Ca -0.08 -0.81 -0.05 0.00 -2.93 0.00 0.00 61.98 58.11 2k2e s VAL 142 Cb -0.14 -2.08 0.03 0.00 -1.53 0.00 0.00 36.38 32.66 2k2e s VAL 142 CO 0.04 0.54 0.05 0.00 -3.33 0.00 0.00 175.10 172.40 2k2e s ALA 143 N 0.29 2.95 -0.11 1.54 0.00 0.78 -0.91 121.76 126.30 2k2e s ALA 143 Ca -0.13 -1.61 -0.05 0.00 0.00 0.00 0.00 51.96 50.18 2k2e s ALA 143 Cb -0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2k2e s ALA 143 CO 0.07 -1.10 0.07 -0.51 0.00 0.00 0.00 175.76 174.29 2k2e s LEU 144 N 1.39 4.00 -0.07 0.00 1.43 0.10 0.19 118.68 125.72 2k2e s LEU 144 Ca -0.01 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 2k2e s LEU 144 Cb -0.18 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 2k2e s LEU 144 CO 0.01 0.39 -0.21 -0.22 0.23 0.00 0.00 176.35 176.55 2k2e s LEU 145 N -0.90 1.97 0.22 1.79 0.20 -1.05 -1.35 118.68 119.57 2k2e s LEU 145 Ca 0.14 -0.46 -0.32 0.00 0.69 0.00 0.00 54.13 54.18 2k2e s LEU 145 Cb -0.12 -1.20 -0.14 0.00 -0.43 0.00 0.00 46.19 44.30 2k2e s LEU 145 CO 0.03 0.16 1.35 -2.65 -0.29 0.00 0.00 176.35 174.95 2k2e n PRO 146 N 3.36 1.83 -0.42 0.98 -0.02 -1.26 -4.07 135.00 135.39 2k2e n PRO 146 Ca -0.19 0.65 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 2k2e n PRO 146 Cb 0.53 -2.27 0.25 0.00 -0.02 0.00 0.00 33.50 31.99 2k2e n PRO 146 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2k2e n ASP 147 N 2.14 3.44 0.00 2.55 5.75 -1.26 -4.49 116.55 124.68 2k2e n ASP 147 Ca 0.12 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 2k2e n ASP 147 Cb 0.30 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 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 0.95 1.02 3.87 6.12 0.00 -1.26 -4.66 105.19 111.22 2k2e n GLY 148 Ca 0.18 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2k2e n GLY 148 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2e s ASP 149 N 0.00 4.62 0.01 1.61 1.01 -1.26 -5.06 116.67 117.59 2k2e s ASP 149 Ca 0.00 -1.19 -0.03 0.00 0.71 0.00 0.00 52.55 52.04 2k2e s ASP 149 Cb 0.00 0.18 0.01 0.00 1.01 0.00 0.00 42.92 44.12 2k2e s ASP 149 CO 0.00 -0.96 0.14 -1.54 0.21 0.00 0.00 175.17 173.03 2k2e n SER 150 N -1.64 -0.17 0.06 0.27 3.41 -1.25 -4.75 113.62 109.56 2k2e n SER 150 Ca -0.02 -1.06 0.04 0.00 -0.26 0.00 0.00 58.87 57.58 2k2e n SER 150 Cb 0.64 0.26 0.46 0.00 -0.26 0.00 0.00 64.21 65.31 2k2e n SER 150 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2k2e h LEU 151 N 0.00 0.36 -1.32 1.04 4.07 -1.81 -2.33 115.31 115.32 2k2e h LEU 151 Ca -0.03 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.93 2k2e h LEU 151 Cb 0.14 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 2k2e h LEU 151 CO 0.04 0.29 0.46 -0.08 -1.08 0.00 0.00 178.44 178.07 2k2e h GLU 152 N 0.42 0.90 0.00 1.13 4.81 -1.95 -1.61 114.58 118.29 2k2e h GLU 152 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2k2e h GLU 152 Cb 0.00 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.18 2k2e h GLU 152 CO -0.02 0.60 0.00 1.58 -0.73 0.00 0.00 179.01 180.44 2k2e n HIS 153 N -4.43 0.09 0.21 0.92 -0.00 -0.88 -2.00 115.22 109.13 2k2e n HIS 153 Ca 0.08 0.03 0.09 0.00 0.46 0.00 0.00 57.72 58.38 2k2e n HIS 153 Cb 0.05 -0.55 0.29 0.00 -0.12 0.00 0.00 29.99 29.66 2k2e n HIS 153 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k2e h HIS 154 N 0.00 0.00 -1.14 1.57 3.86 -1.36 -3.45 115.15 114.63 2k2e h HIS 154 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 2k2e h HIS 154 Cb 0.39 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.87 2k2e h HIS 154 CO 0.00 0.21 -0.22 -1.01 0.86 0.00 0.00 177.93 177.78 2k2e s HIS 155 N -3.35 2.19 0.00 2.45 3.76 -0.84 -5.03 115.29 114.47 2k2e s HIS 155 Ca 0.03 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.38 2k2e s HIS 155 Cb 0.08 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.51 2k2e s HIS 155 CO 0.66 -0.66 0.48 -2.39 -0.85 0.00 0.00 174.74 171.98 2k2e n HIS 156 N -1.96 0.00 -4.10 1.40 1.44 -1.26 -5.02 115.22 105.72 2k2e n HIS 156 Ca 0.10 -0.04 -0.06 0.00 -2.01 0.00 0.00 57.72 55.71 2k2e n HIS 156 Cb 0.61 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.69 2k2e n HIS 156 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k2e n HIS 157 N -0.04 -0.12 -0.32 -1.40 -0.00 -1.26 -5.21 115.22 106.86 2k2e n HIS 157 Ca 0.00 -0.75 0.00 0.00 -0.00 0.00 0.00 57.72 56.97 2k2e n HIS 157 Cb 0.06 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.10 2k2e n HIS 157 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06