#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 3.86 0.94 0.03 2.20 -1.26 -5.10 119.74 120.42 2k2e s LYS 2 Ca 0.00 -0.36 -0.13 0.00 -0.36 0.00 0.00 55.97 55.12 2k2e s LYS 2 Cb 0.00 -3.15 0.16 0.00 -1.51 0.00 0.00 37.83 33.33 2k2e s LYS 2 CO 0.00 0.32 1.15 -0.51 -0.36 0.00 0.00 175.35 175.94 2k2e s LEU 3 N 0.23 1.95 -0.56 5.43 1.43 -1.26 -4.98 118.68 120.92 2k2e s LEU 3 Ca 0.03 0.89 -0.23 0.00 -1.03 0.00 0.00 54.13 53.79 2k2e s LEU 3 Cb -0.12 -3.15 0.05 0.00 0.03 0.00 0.00 46.19 43.00 2k2e s LEU 3 CO 0.01 -2.71 0.92 -1.00 0.23 0.00 0.00 176.35 173.80 2k2e s HIS 4 N -3.29 2.80 -0.39 0.29 3.76 -1.26 -5.00 115.29 112.20 2k2e s HIS 4 Ca 0.65 -0.13 -0.05 0.00 -0.15 0.00 0.00 55.06 55.38 2k2e s HIS 4 Cb -0.14 -4.06 0.09 0.00 1.11 0.00 0.00 32.58 29.58 2k2e s HIS 4 CO 0.54 -1.37 0.18 0.95 -0.85 0.00 0.00 174.74 174.18 2k2e s THR 5 N 3.86 3.50 -0.20 1.30 -4.23 -1.26 -5.07 115.64 113.54 2k2e s THR 5 Ca 0.28 -1.71 -0.29 0.00 -1.18 0.00 0.00 61.69 58.78 2k2e s THR 5 Cb -0.14 -3.24 -0.01 0.00 1.34 0.00 0.00 72.50 70.45 2k2e s THR 5 CO 0.17 -0.51 1.28 1.51 -0.54 0.00 0.00 174.62 176.53 2k2e s ASP 6 N 1.79 6.87 -1.13 3.99 -4.77 -1.26 -4.94 116.67 117.21 2k2e s ASP 6 Ca 0.04 1.57 -0.21 0.00 -3.30 0.00 0.00 52.55 50.64 2k2e s ASP 6 Cb -0.22 -2.54 0.05 0.00 -1.09 0.00 0.00 42.92 39.12 2k2e s ASP 6 CO -0.02 -0.85 1.61 -2.84 0.70 0.00 0.00 175.17 173.78 2k2e s PRO 7 N 3.68 3.64 0.61 2.11 0.02 -1.26 -4.76 135.00 139.04 2k2e s PRO 7 Ca 0.55 -1.42 0.39 0.00 0.02 0.00 0.00 61.00 60.54 2k2e s PRO 7 Cb -0.20 -5.41 1.97 0.00 0.02 0.00 0.00 34.50 30.88 2k2e s PRO 7 CO 0.17 -2.38 2.21 0.00 -0.33 0.00 0.00 177.00 176.67 2k2e h ALA 8 N 9.00 1.04 0.00 -1.55 0.00 -1.98 -1.14 119.26 124.64 2k2e h ALA 8 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2k2e h ALA 8 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k2e h ALA 8 CO 1.42 0.02 0.00 0.25 0.00 0.00 0.00 179.25 180.94 2k2e n THR 9 N -3.16 0.39 -0.74 0.00 -2.24 -1.26 -3.01 114.28 104.25 2k2e n THR 9 Ca -0.02 0.10 0.03 0.00 -2.27 0.00 0.00 64.05 61.90 2k2e n THR 9 Cb 0.17 -0.72 0.05 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.41 1.95 -2.77 6.98 0.00 -0.44 -4.96 120.51 119.86 2k2e n ALA 10 Ca 0.08 -1.49 -0.43 0.00 0.00 0.00 0.00 53.44 51.60 2k2e n ALA 10 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.39 4.32 -1.08 0.00 1.43 -1.15 -4.77 118.68 116.04 2k2e s LEU 11 Ca 0.11 -1.64 -0.22 0.00 -1.03 0.00 0.00 54.13 51.35 2k2e s LEU 11 Cb 0.10 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.88 2k2e s LEU 11 CO 0.01 -1.31 1.63 0.20 0.23 0.00 0.00 176.35 177.11 2k2e s ASN 12 N 4.13 6.29 -0.03 2.29 0.01 -1.26 -4.95 114.94 121.42 2k2e s ASN 12 Ca 0.37 -1.61 0.05 0.00 -0.71 0.00 0.00 52.86 50.96 2k2e s ASN 12 Cb -0.04 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 2k2e s ASN 12 CO -0.06 -1.71 -0.18 -0.89 -1.51 0.00 0.00 177.10 172.74 2k2e s THR 13 N 5.93 2.71 -0.15 1.60 2.01 -1.26 -4.78 115.64 121.69 2k2e s THR 13 Ca 0.53 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 2k2e s THR 13 Cb 0.00 -2.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.42 2k2e s THR 13 CO -0.03 0.57 2.12 -0.69 -0.69 0.00 0.00 174.62 175.90 2k2e s VAL 14 N -0.71 3.04 -0.07 3.82 1.01 -1.26 -4.73 120.40 121.49 2k2e s VAL 14 Ca 0.11 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 2k2e s VAL 14 Cb -0.10 -3.05 -0.17 0.00 0.00 0.00 0.00 36.38 33.06 2k2e s VAL 14 CO 0.00 -0.02 0.81 0.74 0.00 0.00 0.00 175.10 176.63 2k2e h THR 15 N 6.70 1.06 -4.14 3.92 2.02 -1.73 -3.47 112.91 117.28 2k2e h THR 15 Ca -0.43 -1.42 -0.13 0.00 0.77 0.00 0.00 66.41 65.20 2k2e h THR 15 Cb 1.23 1.86 -0.17 0.00 -1.74 0.00 0.00 68.15 69.34 2k2e h THR 15 CO 0.96 0.30 -0.67 0.00 0.37 0.00 0.00 175.52 176.48 2k2e s ALA 16 N -3.30 0.36 -0.25 6.16 0.00 0.57 -5.02 121.76 120.29 2k2e s ALA 16 Ca -0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 2k2e s ALA 16 Cb -0.00 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 2k2e s ALA 16 CO 0.51 -0.32 0.01 0.71 0.00 0.00 0.00 175.76 176.67 2k2e s TYR 17 N -3.21 3.04 0.20 0.00 2.02 -1.26 -1.55 117.35 116.60 2k2e s TYR 17 Ca 0.00 -0.88 0.07 0.00 -0.37 0.00 0.00 57.07 55.89 2k2e s TYR 17 Cb 0.03 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 2k2e s TYR 17 CO -0.07 -0.53 0.11 0.20 -1.57 0.00 0.00 175.55 173.69 2k2e s GLY 18 N 1.50 1.62 -0.82 0.71 0.00 -0.12 -4.97 107.32 105.24 2k2e s GLY 18 Ca 0.05 -1.36 -0.25 0.00 0.00 0.00 0.00 44.72 43.16 2k2e s GLY 18 CO -0.00 -1.39 1.97 -0.35 0.00 0.00 0.00 173.10 173.33 2k2e s ASP 19 N -3.35 5.07 0.00 1.64 2.15 -1.26 -2.37 116.67 118.54 2k2e s ASP 19 Ca 0.31 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.93 2k2e s ASP 19 Cb -0.09 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2k2e s ASP 19 CO 0.22 -2.74 0.00 0.61 -0.17 0.00 0.00 175.17 173.09 2k2e n GLY 20 N 6.57 0.89 3.53 2.66 0.00 -1.26 -5.06 105.19 112.52 2k2e n GLY 20 Ca 0.36 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 -0.62 -0.08 1.61 1.13 -1.00 -4.58 117.35 111.82 2k2e s TYR 21 Ca 0.00 1.05 -0.11 0.00 -1.41 0.00 0.00 57.07 56.60 2k2e s TYR 21 Cb 0.00 0.42 -0.05 0.00 -1.10 0.00 0.00 41.96 41.23 2k2e s TYR 21 CO 0.00 -0.58 0.26 0.42 -2.51 0.00 0.00 175.55 173.14 2k2e s ILE 22 N -1.23 5.29 -0.23 -3.49 1.01 0.02 -0.95 121.20 121.62 2k2e s ILE 22 Ca -0.10 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.06 2k2e s ILE 22 Cb -0.00 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.96 2k2e s ILE 22 CO 0.08 0.58 -0.12 -0.70 0.00 0.00 0.00 174.94 174.79 2k2e s GLU 23 N -0.89 2.68 -0.18 2.79 -6.30 -0.59 0.26 118.70 116.47 2k2e s GLU 23 Ca 0.19 -1.06 -0.01 0.00 -2.50 0.00 0.00 54.97 51.59 2k2e s GLU 23 Cb -0.14 -2.84 0.05 0.00 0.00 0.00 0.00 34.13 31.20 2k2e s GLU 23 CO 0.08 -0.40 -0.03 0.08 0.02 0.00 0.00 175.26 175.00 2k2e s VAL 24 N 1.24 1.05 -1.41 3.70 1.01 -0.99 -0.31 120.40 124.69 2k2e s VAL 24 Ca -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2k2e s VAL 24 Cb -0.17 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.90 2k2e s VAL 24 CO -0.07 0.00 1.01 -3.20 0.00 0.00 0.00 175.10 172.84 2k2e n ASN 25 N 4.88 -6.31 -0.68 3.32 5.15 -1.26 -1.30 115.26 119.05 2k2e n ASN 25 Ca -0.11 -0.46 -0.09 0.00 -0.60 0.00 0.00 54.58 53.32 2k2e n ASN 25 Cb 0.47 -5.00 -0.04 0.00 -0.53 0.00 0.00 39.78 34.68 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 -4.70 -0.91 -3.55 1.20 6.02 -1.26 -4.98 117.38 109.20 2k2e n GLN 26 Ca -0.03 0.76 -0.41 0.00 -0.01 0.00 0.00 57.00 57.31 2k2e n GLN 26 Cb 0.58 -4.73 -0.11 0.00 1.02 0.00 0.00 30.24 27.00 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 -2.18 4.97 -0.37 5.09 1.01 -0.42 -5.04 120.40 123.46 2k2e s VAL 27 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2k2e s VAL 27 Cb 0.00 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 2k2e s VAL 27 CO 0.00 -0.12 1.52 -0.60 0.00 0.00 0.00 175.10 175.90 2k2e s ARG 28 N 1.65 3.56 -0.57 2.72 3.52 -1.26 -2.33 118.95 126.24 2k2e s ARG 28 Ca 0.05 1.15 -0.13 0.00 -0.13 0.00 0.00 55.73 56.66 2k2e s ARG 28 Cb -0.18 -4.06 0.14 0.00 -1.56 0.00 0.00 34.95 29.29 2k2e s ARG 28 CO 0.09 -1.58 0.49 -0.06 -0.81 0.00 0.00 175.30 173.43 2k2e s PHE 29 N 5.70 3.39 -0.42 5.12 0.08 0.14 -4.87 117.98 127.12 2k2e s PHE 29 Ca 0.67 -1.63 0.05 0.00 0.12 0.00 0.00 56.93 56.14 2k2e s PHE 29 Cb -0.17 -3.69 0.68 0.00 -0.57 0.00 0.00 43.02 39.27 2k2e s PHE 29 CO 0.32 -1.00 1.89 0.43 -0.10 0.00 0.00 175.22 176.76 2k2e n SER 30 N 4.88 3.96 -3.81 1.36 7.64 -1.26 -0.80 113.62 125.59 2k2e n SER 30 Ca -0.07 -3.52 -0.10 0.00 1.01 0.00 0.00 58.87 56.18 2k2e n SER 30 Cb 0.41 -0.82 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 2k2e n SER 30 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2k2e s HIS 31 N -3.22 0.02 0.32 1.43 -3.43 -1.26 -4.41 115.29 104.74 2k2e s HIS 31 Ca 0.56 -0.28 -0.29 0.00 -0.80 0.00 0.00 55.06 54.25 2k2e s HIS 31 Cb 0.47 0.01 -0.11 0.00 -1.43 0.00 0.00 32.58 31.52 2k2e s HIS 31 CO 0.11 -0.49 1.55 0.00 -2.00 0.00 0.00 174.74 173.91 2k2e s ALA 32 N -2.95 3.68 0.03 -1.38 0.00 -1.26 -4.73 121.76 115.15 2k2e s ALA 32 Ca -0.02 1.57 0.01 0.00 0.00 0.00 0.00 51.96 53.52 2k2e s ALA 32 Cb 0.01 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 2k2e s ALA 32 CO -0.06 -1.00 -0.05 0.96 0.00 0.00 0.00 175.76 175.60 2k2e s ILE 33 N -0.40 0.32 -0.05 0.00 -4.36 -1.00 -0.81 121.20 114.90 2k2e s ILE 33 Ca 0.59 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.98 2k2e s ILE 33 Cb -0.47 -0.45 0.02 0.00 1.25 0.00 0.00 42.46 42.81 2k2e s ILE 33 CO 0.53 -0.45 -0.02 0.00 0.24 0.00 0.00 174.94 175.24 2k2e s ALA 34 N -1.46 0.64 0.07 2.27 0.00 -0.12 -0.77 121.76 122.39 2k2e s ALA 34 Ca -0.13 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.67 2k2e s ALA 34 Cb -0.10 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2k2e s ALA 34 CO -0.00 -0.20 0.23 -0.59 0.00 0.00 0.00 175.76 175.19 2k2e s PHE 35 N 1.35 0.05 0.10 0.00 -0.71 -0.61 0.05 117.98 118.21 2k2e s PHE 35 Ca -0.04 -0.35 0.04 0.00 -1.04 0.00 0.00 56.93 55.53 2k2e s PHE 35 Cb -0.13 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 2k2e s PHE 35 CO -0.02 -0.51 -0.11 0.00 -1.34 0.00 0.00 175.22 173.24 2k2e s ALA 36 N -3.22 1.21 0.37 1.99 0.00 -1.21 -2.08 121.76 118.83 2k2e s ALA 36 Ca -0.00 -1.22 0.32 0.00 0.00 0.00 0.00 51.96 51.06 2k2e s ALA 36 Cb 0.02 0.01 1.59 0.00 0.00 0.00 0.00 23.12 24.73 2k2e s ALA 36 CO -0.07 -0.01 2.09 -1.00 0.00 0.00 0.00 175.76 176.77 2k2e h PRO 37 N 3.52 0.00 -0.12 0.00 0.13 -1.87 -1.89 132.00 131.78 2k2e h PRO 37 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2k2e h PRO 37 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2k2e h PRO 37 CO 0.53 0.08 -0.08 -1.91 -0.23 0.00 0.00 178.00 176.38 2k2e n GLU 38 N -3.39 1.86 -3.70 0.86 2.13 -1.26 -4.75 120.64 112.39 2k2e n GLU 38 Ca -0.01 -2.84 -0.15 0.00 0.66 0.00 0.00 57.16 54.82 2k2e n GLU 38 Cb 0.23 -1.66 -0.05 0.00 0.27 0.00 0.00 31.44 30.23 2k2e n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k2e n GLY 39 N -1.09 2.94 0.56 8.31 0.00 -0.71 -5.18 105.19 110.02 2k2e n GLY 39 Ca 0.20 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 2k2e n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k2e n PRO 40 N -0.49 0.37 -3.84 1.61 -0.04 -1.26 -4.33 135.00 127.01 2k2e n PRO 40 Ca 0.05 -0.37 -0.36 0.00 -0.04 0.00 0.00 63.50 62.77 2k2e n PRO 40 Cb 0.48 -0.12 -0.13 0.00 -0.04 0.00 0.00 33.50 33.69 2k2e n PRO 40 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k2e s VAL 41 N -0.49 3.50 0.11 0.52 1.01 -1.26 -3.29 120.40 120.49 2k2e s VAL 41 Ca 0.10 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2k2e s VAL 41 Cb -0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2k2e s VAL 41 CO 0.07 0.12 0.14 0.00 0.00 0.00 0.00 175.10 175.43 2k2e s ALA 42 N 1.42 3.68 -0.17 5.51 0.00 0.11 -4.94 121.76 127.37 2k2e s ALA 42 Ca 0.01 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 2k2e s ALA 42 Cb -0.17 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2k2e s ALA 42 CO -0.00 0.67 0.52 -1.54 0.00 0.00 0.00 175.76 175.40 2k2e s SER 43 N -2.71 6.63 -0.28 0.00 1.04 -1.26 -0.95 113.70 116.17 2k2e s SER 43 Ca 0.31 0.75 -0.10 0.00 0.48 0.00 0.00 55.95 57.39 2k2e s SER 43 Cb -0.12 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 2k2e s SER 43 CO 0.24 -0.12 0.17 0.86 0.98 0.00 0.00 173.24 175.36 2k2e s TRP 44 N 1.28 3.19 -0.74 5.02 -0.00 0.01 -4.93 118.94 122.78 2k2e s TRP 44 Ca 0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 56.10 56.34 2k2e s TRP 44 Cb -0.15 -2.35 0.00 0.00 -0.00 0.00 0.00 33.47 30.96 2k2e s TRP 44 CO 0.10 -0.21 0.59 -2.30 -0.00 0.00 0.00 176.95 175.13 2k2e n PRO 45 N 5.03 0.94 -3.33 5.86 -0.02 -1.26 -4.13 135.00 138.09 2k2e n PRO 45 Ca -0.14 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.96 2k2e n PRO 45 Cb 0.52 -1.35 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k2e s VAL 46 N -0.72 5.13 -0.19 -1.45 1.01 -1.26 -4.97 120.40 117.95 2k2e s VAL 46 Ca 0.00 0.96 -0.10 0.00 0.00 0.00 0.00 61.98 62.84 2k2e s VAL 46 Cb 0.00 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 2k2e s VAL 46 CO 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 175.10 175.22 2k2e n GLN 47 N 3.26 0.42 -5.08 2.72 6.02 -1.26 -4.66 117.38 118.80 2k2e n GLN 47 Ca -0.08 0.18 -0.32 0.00 -0.01 0.00 0.00 57.00 56.77 2k2e n GLN 47 Cb 0.52 -1.21 -0.15 0.00 1.02 0.00 0.00 30.24 30.42 2k2e n GLN 47 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2k2e s ARG 48 N -2.40 2.42 0.07 -1.09 1.70 -1.26 -5.00 118.95 113.38 2k2e s ARG 48 Ca -0.27 -0.80 0.13 0.00 -0.47 0.00 0.00 55.73 54.32 2k2e s ARG 48 Cb 0.10 -2.25 0.59 0.00 -0.57 0.00 0.00 34.95 32.82 2k2e s ARG 48 CO 0.35 0.55 1.42 -0.35 -1.08 0.00 0.00 175.30 176.19 2k2e n PRO 49 N 2.49 0.04 0.13 3.89 -0.04 -1.26 -1.52 135.00 138.74 2k2e n PRO 49 Ca -0.17 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2k2e n PRO 49 Cb 0.52 -1.60 0.41 0.00 -0.04 0.00 0.00 33.50 32.79 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e h ALA 50 N 2.32 1.00 -2.25 0.55 0.00 -1.94 -3.34 119.26 115.59 2k2e h ALA 50 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2k2e h ALA 50 Cb 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.57 2k2e h ALA 50 CO 0.00 0.00 -0.63 -0.25 0.00 0.00 0.00 179.25 178.37 2k2e n ASP 51 N -2.37 4.19 -4.05 0.00 9.92 -0.57 -4.97 116.55 118.69 2k2e n ASP 51 Ca 0.05 -3.59 -0.33 0.00 -0.53 0.00 0.00 54.79 50.39 2k2e n ASP 51 Cb 0.40 -0.60 -0.14 0.00 -0.64 0.00 0.00 41.12 40.13 2k2e n ASP 51 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2k2e s ILE 52 N -3.69 2.58 0.44 0.53 1.01 -1.26 -4.83 121.20 115.98 2k2e s ILE 52 Ca 0.45 -2.25 -0.04 0.00 0.00 0.00 0.00 60.65 58.81 2k2e s ILE 52 Cb 0.23 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 2k2e s ILE 52 CO -0.09 -0.62 0.72 -0.89 0.00 0.00 0.00 174.94 174.07 2k2e s THR 53 N 0.98 4.95 0.26 2.92 2.01 -1.26 -4.94 115.64 120.56 2k2e s THR 53 Ca 0.10 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.16 2k2e s THR 53 Cb -0.20 -3.85 0.25 0.00 0.01 0.00 0.00 72.50 68.71 2k2e s THR 53 CO -0.07 -0.74 1.81 0.00 -0.69 0.00 0.00 174.62 174.93 2k2e h ALA 54 N 0.47 1.34 -0.69 7.40 0.00 -1.86 -0.99 119.26 124.94 2k2e h ALA 54 Ca -0.48 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2k2e h ALA 54 Cb 1.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2k2e h ALA 54 CO 0.62 0.09 0.45 0.77 0.00 0.00 0.00 179.25 181.18 2k2e h SER 55 N 0.82 0.79 -0.17 0.00 0.02 -1.94 -0.37 113.55 112.70 2k2e h SER 55 Ca 0.45 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.27 2k2e h SER 55 Cb 0.49 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2k2e h SER 55 CO -0.28 0.58 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.66 2k2e h LEU 56 N 0.93 0.64 -0.63 5.07 3.38 -1.58 -2.14 115.31 120.98 2k2e h LEU 56 Ca 0.25 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2k2e h LEU 56 Cb -0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2k2e h LEU 56 CO -0.05 0.88 -0.26 -0.07 0.09 0.00 0.00 178.44 179.03 2k2e h LEU 57 N 0.55 0.82 -0.97 1.67 3.38 -0.85 -1.87 115.31 118.05 2k2e h LEU 57 Ca 0.08 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2k2e h LEU 57 Cb 0.72 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2k2e h LEU 57 CO 0.06 1.04 0.51 1.56 0.09 0.00 0.00 178.44 181.69 2k2e h GLN 58 N 0.69 1.23 -0.66 1.13 4.20 -0.80 -0.90 115.11 119.99 2k2e h GLN 58 Ca 0.09 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2k2e h GLN 58 Cb 0.78 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2k2e h GLN 58 CO 0.06 0.88 0.16 1.96 -0.67 0.00 0.00 178.83 181.22 2k2e h GLN 59 N 1.24 1.07 0.00 1.46 4.20 -1.15 -2.43 115.11 119.50 2k2e h GLN 59 Ca 0.32 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2k2e h GLN 59 Cb -0.01 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 2k2e h GLN 59 CO -0.05 0.96 -0.03 0.00 -0.67 0.00 0.00 178.83 179.03 2k2e h ALA 60 N 1.06 1.01 -0.00 3.87 0.00 -0.76 -1.93 119.26 122.52 2k2e h ALA 60 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2k2e h ALA 60 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k2e h ALA 60 CO 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.23 2k2e n ALA 61 N -2.11 2.62 -1.02 0.00 0.00 -0.40 -4.76 120.51 114.84 2k2e n ALA 61 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 2k2e n ALA 61 Cb 0.31 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.31 0.48 0.00 0.00 0.00 -0.72 -4.77 105.19 101.48 2k2e n GLY 62 Ca 0.13 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.09 0.00 0.04 0.99 4.77 -1.09 -2.80 117.00 118.81 2k2e n LEU 63 Ca -0.01 0.16 0.13 0.00 -0.03 0.00 0.00 56.01 56.27 2k2e n LEU 63 Cb 0.05 -0.16 0.52 0.00 -2.33 0.00 0.00 43.42 41.49 2k2e n LEU 63 CO 0.01 -0.06 0.91 0.00 -1.33 0.00 0.00 177.39 176.93 2k2e n ALA 64 N -1.16 2.22 -0.20 -1.18 0.00 -1.26 -3.62 120.51 115.30 2k2e n ALA 64 Ca 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 2k2e n ALA 64 Cb 0.12 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.14 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 0.00 0.95 0.00 0.00 4.81 -1.93 -2.40 114.58 116.01 2k2e h GLU 65 Ca 0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2k2e h GLU 65 Cb 0.54 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2k2e h GLU 65 CO 0.00 0.93 0.00 1.33 -0.73 0.00 0.00 179.01 180.54 2k2e n VAL 66 N -4.30 0.70 0.14 0.32 0.24 -1.24 -1.96 118.33 112.23 2k2e n VAL 66 Ca 0.02 0.14 0.10 0.00 -2.04 0.00 0.00 64.34 62.56 2k2e n VAL 66 Cb 0.30 -0.88 0.05 0.00 -1.47 0.00 0.00 33.84 31.84 2k2e n VAL 66 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2k2e h VAL 67 N 0.00 0.10 -0.29 3.34 2.07 -1.61 -3.34 116.25 116.53 2k2e h VAL 67 Ca 0.00 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 2k2e h VAL 67 Cb 0.37 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2k2e h VAL 67 CO 0.00 0.06 0.03 0.03 0.02 0.00 0.00 177.57 177.71 2k2e h ARG 68 N 0.00 0.50 -2.35 1.57 3.08 -1.29 -3.43 114.38 112.46 2k2e h ARG 68 Ca -0.01 -0.14 -0.19 0.00 0.07 0.00 0.00 59.98 59.71 2k2e h ARG 68 Cb 1.08 -0.05 -0.31 0.00 0.08 0.00 0.00 29.97 30.77 2k2e h ARG 68 CO 0.01 0.62 -0.50 0.34 -1.07 0.00 0.00 179.97 179.37 2k2e s ASP 69 N -5.95 0.38 0.00 7.04 2.15 -1.25 -5.02 116.67 114.02 2k2e s ASP 69 Ca -0.13 0.38 0.03 0.00 0.43 0.00 0.00 52.55 53.26 2k2e s ASP 69 Cb 0.08 0.93 0.19 0.00 -0.30 0.00 0.00 42.92 43.82 2k2e s ASP 69 CO 0.75 -0.28 0.74 -0.81 -0.17 0.00 0.00 175.17 175.40 2k2e n PRO 70 N 5.36 0.58 0.17 4.34 -0.04 -1.25 -2.06 135.00 142.09 2k2e n PRO 70 Ca -0.05 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.45 2k2e n PRO 70 Cb 0.50 -1.09 0.15 0.00 -0.04 0.00 0.00 33.50 33.03 2k2e n PRO 70 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k2e h LEU 71 N 0.00 0.00 -8.00 1.53 5.85 -1.95 -3.38 115.31 109.36 2k2e h LEU 71 Ca 0.00 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.03 2k2e h LEU 71 Cb 0.00 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 40.85 2k2e h LEU 71 CO 0.00 0.41 0.73 0.00 -0.34 0.00 0.00 178.44 179.24 2k2e s ALA 72 N -3.19 3.40 0.28 1.25 0.00 -0.87 -4.96 121.76 117.67 2k2e s ALA 72 Ca 0.03 -2.71 -0.29 0.00 0.00 0.00 0.00 51.96 48.99 2k2e s ALA 72 Cb 0.08 -3.98 -0.10 0.00 0.00 0.00 0.00 23.12 19.13 2k2e s ALA 72 CO 0.71 -2.89 1.10 -0.06 0.00 0.00 0.00 175.76 174.62 2k2e s PHE 73 N 2.62 3.57 0.08 0.00 0.08 -1.26 -4.81 117.98 118.26 2k2e s PHE 73 Ca 0.30 1.69 -0.03 0.00 0.12 0.00 0.00 56.93 59.01 2k2e s PHE 73 Cb -0.07 -3.29 -0.28 0.00 -0.57 0.00 0.00 43.02 38.81 2k2e s PHE 73 CO -0.07 -0.57 1.15 1.25 -0.10 0.00 0.00 175.22 176.88 2k2e h LEU 74 N 3.79 0.39 -8.99 -0.37 5.85 -1.95 -3.32 115.31 110.71 2k2e h LEU 74 Ca -0.47 -0.42 -0.63 0.00 0.84 0.00 0.00 57.88 57.21 2k2e h LEU 74 Cb 1.21 -0.13 -0.16 0.00 0.37 0.00 0.00 40.66 41.95 2k2e h LEU 74 CO 0.67 1.33 -0.53 -0.62 -0.34 0.00 0.00 178.44 178.95 2k2e s ASP 75 N -7.11 5.94 -0.74 1.25 2.15 -1.26 -4.45 116.67 112.44 2k2e s ASP 75 Ca -0.04 0.04 -0.01 0.00 0.43 0.00 0.00 52.55 52.97 2k2e s ASP 75 Cb 0.07 -2.08 -0.01 0.00 -0.30 0.00 0.00 42.92 40.60 2k2e s ASP 75 CO 0.88 0.03 0.69 1.21 -0.17 0.00 0.00 175.17 177.81 2k2e n GLU 76 N 4.49 -1.40 -3.11 4.34 4.07 -1.26 -5.03 120.64 122.74 2k2e n GLU 76 Ca -0.15 1.28 -0.28 0.00 -0.06 0.00 0.00 57.16 57.94 2k2e n GLU 76 Cb 0.52 -5.43 -0.02 0.00 -0.06 0.00 0.00 31.44 26.45 2k2e n GLU 76 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2k2e s PRO 77 N -3.29 3.64 0.00 5.31 0.04 -1.25 -4.71 135.00 134.74 2k2e s PRO 77 Ca 0.10 0.11 0.28 0.00 0.04 0.00 0.00 61.00 61.53 2k2e s PRO 77 Cb -0.01 -2.54 1.05 0.00 0.04 0.00 0.00 34.50 33.03 2k2e s PRO 77 CO 0.69 0.08 1.79 0.39 0.04 0.00 0.00 177.00 179.98 2k2e n GLU 78 N -1.32 0.06 -3.74 4.56 1.02 -1.26 -4.55 120.64 115.41 2k2e n GLU 78 Ca -0.01 -0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.75 2k2e n GLU 78 Cb 0.54 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.35 2k2e n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k2e s ALA 79 N -2.95 3.18 0.00 0.62 0.00 -1.26 -5.01 121.76 116.34 2k2e s ALA 79 Ca 0.15 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 49.62 2k2e s ALA 79 Cb 0.19 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.84 2k2e s ALA 79 CO 0.57 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.95 2k2e n GLY 80 N 4.66 2.87 3.38 0.00 0.00 -1.26 -4.97 105.19 109.86 2k2e n GLY 80 Ca -0.04 -2.02 -0.46 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.15 3.90 0.00 4.61 0.00 -1.26 -4.92 121.76 121.94 2k2e s ALA 81 Ca 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 51.96 48.77 2k2e s ALA 81 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2k2e s ALA 81 CO 0.00 -2.54 0.00 0.41 0.00 0.00 0.00 175.76 173.63 2k2e n GLY 82 N 4.36 0.34 3.82 0.00 0.00 -1.26 -4.73 105.19 107.73 2k2e n GLY 82 Ca 0.20 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e s ALA 83 N -1.50 3.56 -0.15 4.61 0.00 -1.26 -4.48 121.76 122.53 2k2e s ALA 83 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 2k2e s ALA 83 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 2k2e s ALA 83 CO 0.00 0.41 -0.06 1.03 0.00 0.00 0.00 175.76 177.13 2k2e s ARG 84 N -1.53 3.57 0.33 0.00 0.52 -1.26 -4.99 118.95 115.58 2k2e s ARG 84 Ca 0.34 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2k2e s ARG 84 Cb -0.18 -2.84 0.56 0.00 0.52 0.00 0.00 34.95 33.02 2k2e s ARG 84 CO 0.19 0.20 1.98 -1.35 0.02 0.00 0.00 175.30 176.35 2k2e h PRO 85 N 6.80 0.89 -3.04 3.54 0.11 -1.98 -2.80 132.00 135.51 2k2e h PRO 85 Ca -0.30 -0.07 -0.76 0.00 0.11 0.00 0.00 66.00 64.98 2k2e h PRO 85 Cb 1.20 -0.19 -0.17 0.00 0.11 0.00 0.00 31.00 31.94 2k2e h PRO 85 CO 0.60 0.61 1.92 0.00 -0.21 0.00 0.00 178.00 180.93 2k2e n ALA 86 N -2.44 5.87 -0.22 -0.75 0.00 -1.26 -4.79 120.51 116.92 2k2e n ALA 86 Ca 0.07 -4.33 -0.00 0.00 0.00 0.00 0.00 53.44 49.17 2k2e n ALA 86 Cb 0.06 -2.77 0.11 0.00 0.00 0.00 0.00 19.45 16.85 2k2e n ALA 86 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2k2e h ASN 87 N 5.22 0.42 -1.33 0.00 -1.24 -1.72 -3.44 115.58 113.49 2k2e h ASN 87 Ca 0.48 0.05 -0.52 0.00 0.71 0.00 0.00 56.30 57.02 2k2e h ASN 87 Cb 0.50 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.48 2k2e h ASN 87 CO 1.51 0.26 -0.38 0.00 -1.29 0.00 0.00 177.43 177.53 2k2e s ALA 88 N -6.08 4.05 -0.11 1.57 0.00 -1.26 -5.04 121.76 114.88 2k2e s ALA 88 Ca -0.13 -1.82 -0.39 0.00 0.00 0.00 0.00 51.96 49.62 2k2e s ALA 88 Cb 0.17 -0.84 -0.16 0.00 0.00 0.00 0.00 23.12 22.28 2k2e s ALA 88 CO 0.75 -0.27 1.53 -2.30 0.00 0.00 0.00 175.76 175.48 2k2e n PRO 89 N -1.54 1.06 -0.09 0.00 -0.02 -1.26 -4.82 135.00 128.32 2k2e n PRO 89 Ca 0.02 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 2k2e n PRO 89 Cb 0.63 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 5.79 0.49 -4.17 -0.52 5.08 -1.71 -3.34 114.58 116.20 2k2e h GLU 90 Ca -0.47 -0.16 -0.38 0.00 -1.00 0.00 0.00 59.36 57.35 2k2e h GLU 90 Cb 1.33 -0.05 -0.32 0.00 0.50 0.00 0.00 28.75 30.22 2k2e h GLU 90 CO 0.87 0.65 -0.77 0.54 -1.00 0.00 0.00 179.01 179.30 2k2e s VAL 91 N -5.00 0.51 -0.18 3.13 0.11 -1.07 -0.76 120.40 117.15 2k2e s VAL 91 Ca -0.13 -0.17 -0.00 0.00 -2.93 0.00 0.00 61.98 58.75 2k2e s VAL 91 Cb 0.08 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2k2e s VAL 91 CO 0.76 0.19 -0.16 -0.22 -3.33 0.00 0.00 175.10 172.34 2k2e s LEU 92 N 0.53 2.38 -0.37 2.54 2.96 0.48 -1.00 118.68 126.20 2k2e s LEU 92 Ca -0.07 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.20 2k2e s LEU 92 Cb -0.10 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.07 2k2e s LEU 92 CO 0.00 0.03 0.19 -0.76 -1.32 0.00 0.00 176.35 174.48 2k2e s LEU 93 N 1.15 4.66 -0.25 -0.68 1.43 0.86 -0.40 118.68 125.46 2k2e s LEU 93 Ca 0.01 -1.05 -0.16 0.00 -1.03 0.00 0.00 54.13 51.90 2k2e s LEU 93 Cb -0.14 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2k2e s LEU 93 CO -0.06 -0.38 0.41 -0.69 0.23 0.00 0.00 176.35 175.86 2k2e s VAL 94 N 1.52 5.16 -0.49 -1.59 1.01 0.66 -0.59 120.40 126.07 2k2e s VAL 94 Ca 0.01 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.48 2k2e s VAL 94 Cb -0.19 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.50 2k2e s VAL 94 CO 0.06 0.17 0.64 -0.83 0.00 0.00 0.00 175.10 175.14 2k2e s GLY 95 N 1.42 1.74 0.09 4.51 0.00 0.15 -0.57 107.32 114.66 2k2e s GLY 95 Ca 0.18 -1.58 -0.23 0.00 0.00 0.00 0.00 44.72 43.09 2k2e s GLY 95 CO 0.09 1.51 1.74 -0.91 0.00 0.00 0.00 173.10 175.53 2k2e h THR 96 N 5.87 1.00 0.00 0.90 1.35 -0.47 0.56 112.91 122.12 2k2e h THR 96 Ca -0.27 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2k2e h THR 96 Cb 1.09 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2k2e h THR 96 CO 0.95 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 2k2e n GLY 97 N -1.10 1.42 0.25 5.82 0.00 -1.25 -3.80 105.19 106.53 2k2e n GLY 97 Ca -0.07 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.78 -1.66 1.61 3.08 -1.85 -3.46 114.38 112.88 2k2e h ARG 98 Ca 0.00 -0.41 0.04 0.00 0.07 0.00 0.00 59.98 59.69 2k2e h ARG 98 Cb 0.00 0.01 -0.25 0.00 0.08 0.00 0.00 29.97 29.81 2k2e h ARG 98 CO 0.00 1.03 0.41 0.50 -1.07 0.00 0.00 179.97 180.84 2k2e s ARG 99 N -4.33 0.57 -0.48 0.04 3.52 -1.25 -5.11 118.95 111.90 2k2e s ARG 99 Ca -0.09 0.63 -0.28 0.00 -0.13 0.00 0.00 55.73 55.86 2k2e s ARG 99 Cb 0.12 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.77 2k2e s ARG 99 CO 0.86 -0.08 1.72 -0.65 -0.81 0.00 0.00 175.30 176.34 2k2e s GLN 100 N 0.15 3.08 -0.26 5.12 -0.21 -1.26 -4.73 119.66 121.55 2k2e s GLN 100 Ca 0.02 0.91 0.01 0.00 0.02 0.00 0.00 55.36 56.32 2k2e s GLN 100 Cb -0.05 -4.24 0.05 0.00 1.00 0.00 0.00 33.01 29.77 2k2e s GLN 100 CO -0.04 -2.18 -0.08 -1.58 -2.12 0.00 0.00 175.29 169.29 2k2e s HIS 101 N 7.45 3.21 0.09 0.91 2.46 -1.26 -5.09 115.29 123.06 2k2e s HIS 101 Ca 0.69 -2.07 -0.31 0.00 0.47 0.00 0.00 55.06 53.84 2k2e s HIS 101 Cb -0.16 -1.99 -0.07 0.00 -0.13 0.00 0.00 32.58 30.23 2k2e s HIS 101 CO 0.27 -0.84 1.28 -0.51 -2.47 0.00 0.00 174.74 172.48 2k2e s LEU 102 N 1.18 4.37 0.54 8.88 1.43 -1.26 -4.95 118.68 128.87 2k2e s LEU 102 Ca -0.06 2.17 -0.18 0.00 -1.03 0.00 0.00 54.13 55.02 2k2e s LEU 102 Cb -0.19 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 2k2e s LEU 102 CO -0.04 -0.54 1.06 -0.76 0.23 0.00 0.00 176.35 176.30 2k2e s LEU 103 N 0.99 3.69 0.34 1.79 1.43 -1.26 -5.05 118.68 120.60 2k2e s LEU 103 Ca 0.61 1.93 0.07 0.00 -1.03 0.00 0.00 54.13 55.72 2k2e s LEU 103 Cb -0.33 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.31 2k2e s LEU 103 CO 0.30 -1.03 0.30 -0.83 0.23 0.00 0.00 176.35 175.33 2k2e s GLY 104 N -2.26 1.79 0.50 -3.19 0.00 -1.26 -4.98 107.32 97.92 2k2e s GLY 104 Ca 0.67 -1.66 0.19 0.00 0.00 0.00 0.00 44.72 43.93 2k2e s GLY 104 CO 0.28 -1.58 2.03 -0.56 0.00 0.00 0.00 173.10 173.27 2k2e h PRO 105 N 1.22 0.13 0.00 2.90 0.13 -1.97 0.91 132.00 135.32 2k2e h PRO 105 Ca -0.45 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 2k2e h PRO 105 Cb 1.25 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2k2e h PRO 105 CO 0.58 0.09 -0.20 1.49 -0.23 0.00 0.00 178.00 179.72 2k2e h GLU 106 N 0.13 0.00 0.00 0.86 4.57 -2.00 0.11 114.58 118.26 2k2e h GLU 106 Ca 0.20 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2k2e h GLU 106 Cb 0.63 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 2k2e h GLU 106 CO -0.03 0.20 -1.80 1.04 -1.18 0.00 0.00 179.01 177.25 2k2e n GLN 107 N -3.68 0.65 0.00 1.92 6.02 0.25 -4.27 117.38 118.27 2k2e n GLN 107 Ca -0.01 -0.02 0.07 0.00 -0.01 0.00 0.00 57.00 57.03 2k2e n GLN 107 Cb 0.32 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 2k2e n GLN 107 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2k2e n VAL 108 N -2.56 0.00 0.08 5.09 0.24 -0.84 -3.91 118.33 116.43 2k2e n VAL 108 Ca -0.11 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 2k2e n VAL 108 Cb 0.75 1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 34.15 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 0.80 -0.47 -0.44 7.34 2.43 -1.15 0.97 114.38 123.86 2k2e h ARG 109 Ca 0.00 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2k2e h ARG 109 Cb 0.42 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2k2e h ARG 109 CO 0.00 -0.31 0.29 -1.35 -1.51 0.00 0.00 179.97 177.09 2k2e h PRO 110 N -0.49 0.36 0.05 0.20 0.11 -1.85 -1.69 132.00 128.69 2k2e h PRO 110 Ca 0.05 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.90 2k2e h PRO 110 Cb 0.55 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 2k2e h PRO 110 CO -0.23 0.24 -1.05 -0.07 -0.21 0.00 0.00 178.00 176.67 2k2e h LEU 111 N 0.37 0.35 -1.10 2.35 3.38 -1.68 -2.94 115.31 116.03 2k2e h LEU 111 Ca 0.19 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2k2e h LEU 111 Cb 0.28 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2k2e h LEU 111 CO -0.04 1.19 0.45 -0.07 0.09 0.00 0.00 178.44 180.06 2k2e h LEU 112 N 0.10 0.95 -1.62 1.67 3.38 0.05 0.25 115.31 120.09 2k2e h LEU 112 Ca -0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2k2e h LEU 112 Cb 1.74 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 2k2e h LEU 112 CO 0.17 0.75 -0.09 0.00 0.09 0.00 0.00 178.44 179.36 2k2e h ALA 113 N 1.41 1.07 0.04 1.53 0.00 -1.30 -2.76 119.26 119.25 2k2e h ALA 113 Ca 0.28 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 2k2e h ALA 113 Cb -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2k2e h ALA 113 CO -0.05 0.11 -1.75 0.52 0.00 0.00 0.00 179.25 178.08 2k2e h MET 114 N 0.00 0.09 0.00 0.00 2.86 -1.04 -3.48 114.93 113.35 2k2e h MET 114 Ca -0.00 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2k2e h MET 114 Cb 0.49 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2k2e h MET 114 CO 0.01 0.74 0.00 0.41 1.06 0.00 0.00 176.91 179.13 2k2e n GLY 115 N 1.67 1.79 3.56 8.32 0.00 0.59 -4.15 105.19 116.97 2k2e n GLY 115 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 4.98 -0.62 1.61 1.01 0.38 -4.49 120.40 121.27 2k2e s VAL 116 Ca 0.00 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 2k2e s VAL 116 Cb 0.00 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2k2e s VAL 116 CO 0.00 -0.26 0.99 -0.83 0.00 0.00 0.00 175.10 175.00 2k2e s GLY 117 N 1.78 1.33 -0.24 4.51 0.00 0.06 -4.13 107.32 110.63 2k2e s GLY 117 Ca 0.20 -1.54 -0.15 0.00 0.00 0.00 0.00 44.72 43.23 2k2e s GLY 117 CO 0.14 2.12 0.36 0.14 0.00 0.00 0.00 173.10 175.86 2k2e s VAL 118 N 4.21 5.21 0.07 1.40 1.01 -1.26 -0.39 120.40 130.65 2k2e s VAL 118 Ca 0.27 0.58 0.10 0.00 0.00 0.00 0.00 61.98 62.92 2k2e s VAL 118 Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2k2e s VAL 118 CO 0.14 0.22 -0.26 -1.61 0.00 0.00 0.00 175.10 173.59 2k2e s GLU 119 N 1.64 1.62 -0.17 2.72 0.41 0.47 -4.96 118.70 120.42 2k2e s GLU 119 Ca 0.16 -1.17 0.01 0.00 -0.41 0.00 0.00 54.97 53.55 2k2e s GLU 119 Cb -0.15 -1.89 0.02 0.00 -1.78 0.00 0.00 34.13 30.33 2k2e s GLU 119 CO 0.08 0.47 -0.18 0.00 -0.49 0.00 0.00 175.26 175.15 2k2e s ALA 120 N -0.90 2.21 0.28 5.21 0.00 -1.26 -0.25 121.76 127.06 2k2e s ALA 120 Ca 0.12 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2k2e s ALA 120 Cb -0.10 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 2k2e s ALA 120 CO 0.03 -0.39 0.29 -1.64 0.00 0.00 0.00 175.76 174.05 2k2e s MET 121 N 1.34 1.58 0.86 0.00 -1.94 0.26 -4.96 119.30 116.44 2k2e s MET 121 Ca 0.04 -1.76 -0.11 0.00 -1.71 0.00 0.00 55.69 52.15 2k2e s MET 121 Cb -0.13 0.34 0.11 0.00 2.01 0.00 0.00 34.83 37.16 2k2e s MET 121 CO -0.12 -0.59 1.09 -0.51 -0.01 0.00 0.00 175.02 174.88 2k2e s ASP 122 N -3.24 3.78 0.16 3.03 1.01 -1.26 0.24 116.67 120.39 2k2e s ASP 122 Ca 0.36 1.61 -0.21 0.00 0.71 0.00 0.00 52.55 55.03 2k2e s ASP 122 Cb 0.03 -2.30 0.05 0.00 1.01 0.00 0.00 42.92 41.72 2k2e s ASP 122 CO 0.19 -2.46 1.63 0.74 0.21 0.00 0.00 175.17 175.48 2k2e h THR 123 N -1.43 0.39 -0.48 -1.27 2.02 -1.89 0.62 112.91 110.87 2k2e h THR 123 Ca -0.47 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2k2e h THR 123 Cb 1.27 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 2k2e h THR 123 CO 0.53 0.00 0.18 1.56 0.37 0.00 0.00 175.52 178.16 2k2e h GLN 124 N -0.21 0.73 -0.65 6.66 4.20 -1.98 -0.41 115.11 123.45 2k2e h GLN 124 Ca 0.16 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2k2e h GLN 124 Cb 0.45 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 2k2e h GLN 124 CO -0.43 0.66 0.35 0.00 -0.67 0.00 0.00 178.83 178.74 2k2e h ALA 125 N 1.03 0.83 -0.20 3.87 0.00 -1.71 0.74 119.26 123.83 2k2e h ALA 125 Ca 0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2k2e h ALA 125 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2k2e h ALA 125 CO -0.01 0.36 -0.09 0.00 0.00 0.00 0.00 179.25 179.50 2k2e h ALA 126 N 1.17 0.28 -0.61 0.00 0.00 -0.73 -2.32 119.26 117.05 2k2e h ALA 126 Ca 0.23 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2k2e h ALA 126 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k2e h ALA 126 CO -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.31 2k2e h ALA 127 N 0.70 0.83 -0.18 0.00 0.00 -0.85 0.84 119.26 120.59 2k2e h ALA 127 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2k2e h ALA 127 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k2e h ALA 127 CO 0.03 0.68 -0.05 -0.09 0.00 0.00 0.00 179.25 179.81 2k2e h ARG 128 N 0.98 0.36 -0.09 0.00 2.43 -0.89 -2.09 114.38 115.08 2k2e h ARG 128 Ca 0.17 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2k2e h ARG 128 Cb 0.57 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2k2e h ARG 128 CO 0.03 0.63 -0.25 1.15 -1.51 0.00 0.00 179.97 180.03 2k2e h THR 129 N 0.07 1.22 -0.47 0.20 2.02 -1.34 -2.16 112.91 112.44 2k2e h THR 129 Ca 0.05 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.22 2k2e h THR 129 Cb 0.50 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 2k2e h THR 129 CO 0.02 0.31 0.29 0.22 0.37 0.00 0.00 175.52 176.72 2k2e h TYR 130 N 0.15 0.54 -0.63 3.16 3.20 -0.56 0.80 116.97 123.63 2k2e h TYR 130 Ca 0.02 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2k2e h TYR 130 Cb 0.52 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 2k2e h TYR 130 CO 0.01 0.31 0.19 -0.97 -1.64 0.00 0.00 178.16 176.05 2k2e h ASN 131 N 0.57 0.92 -0.31 -2.11 -1.24 -0.95 0.05 115.58 112.51 2k2e h ASN 131 Ca 0.19 -0.21 0.01 0.00 0.71 0.00 0.00 56.30 56.99 2k2e h ASN 131 Cb 0.00 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.79 2k2e h ASN 131 CO -0.08 0.89 0.19 0.40 -1.29 0.00 0.00 177.43 177.54 2k2e h ILE 132 N 0.90 1.05 0.00 2.57 2.04 -0.87 0.28 117.51 123.48 2k2e h ILE 132 Ca 0.20 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 2k2e h ILE 132 Cb 0.31 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2k2e h ILE 132 CO -0.00 0.07 -0.37 -0.07 0.00 0.00 0.00 178.15 177.77 2k2e h LEU 133 N 0.39 0.00 -0.14 1.44 3.38 -0.67 -0.36 115.31 119.35 2k2e h LEU 133 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2k2e h LEU 133 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2k2e h LEU 133 CO -0.05 0.37 -0.03 -0.03 0.09 0.00 0.00 178.44 178.79 2k2e h MET 134 N 0.00 0.27 0.00 1.13 4.05 -0.30 -0.51 114.93 119.57 2k2e h MET 134 Ca -0.00 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.28 2k2e h MET 134 Cb 0.74 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.51 2k2e h MET 134 CO 0.05 0.55 -0.18 0.00 0.23 0.00 0.00 176.91 177.56 2k2e h ALA 135 N 0.71 1.25 0.00 0.39 0.00 -0.70 -0.22 119.26 120.69 2k2e h ALA 135 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k2e h ALA 135 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k2e h ALA 135 CO 0.01 0.22 0.00 -1.91 0.00 0.00 0.00 179.25 177.58 2k2e n GLU 136 N -3.66 0.12 -2.49 0.00 2.13 -0.17 -4.91 120.64 111.66 2k2e n GLU 136 Ca -0.01 0.19 -0.08 0.00 0.66 0.00 0.00 57.16 57.92 2k2e n GLU 136 Cb 0.30 -1.66 0.01 0.00 0.27 0.00 0.00 31.44 30.36 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 0.91 0.26 3.79 8.31 0.00 -0.09 -5.04 105.19 113.33 2k2e n GLY 137 Ca 0.05 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.88 2.89 -0.96 1.61 6.06 -0.27 -5.04 118.95 118.36 2k2e s ARG 138 Ca 0.10 -0.80 -0.22 0.00 -2.50 0.00 0.00 55.73 52.30 2k2e s ARG 138 Cb -0.04 -2.68 0.07 0.00 0.06 0.00 0.00 34.95 32.36 2k2e s ARG 138 CO 0.12 0.51 1.34 1.03 -2.50 0.00 0.00 175.30 175.80 2k2e s ARG 139 N -2.84 3.54 0.02 5.12 0.52 -1.26 -4.59 118.95 119.46 2k2e s ARG 139 Ca 0.30 -1.20 0.08 0.00 -0.52 0.00 0.00 55.73 54.39 2k2e s ARG 139 Cb -0.11 -5.12 -0.03 0.00 0.52 0.00 0.00 34.95 30.21 2k2e s ARG 139 CO 0.23 -2.09 -0.22 0.54 0.02 0.00 0.00 175.30 173.78 2k2e s VAL 140 N 4.45 2.43 0.00 3.52 0.11 -1.26 -2.49 120.40 127.15 2k2e s VAL 140 Ca 0.41 -1.18 0.07 0.00 -2.93 0.00 0.00 61.98 58.36 2k2e s VAL 140 Cb -0.02 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 32.86 2k2e s VAL 140 CO -0.07 0.44 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.21 2k2e s VAL 141 N -0.78 1.84 -0.03 2.04 1.01 -0.17 -4.24 120.40 120.07 2k2e s VAL 141 Ca 0.12 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 61.10 2k2e s VAL 141 Cb -0.10 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2k2e s VAL 141 CO 0.02 0.45 -0.25 0.54 0.00 0.00 0.00 175.10 175.86 2k2e s VAL 142 N -0.62 2.01 -0.25 2.92 0.11 -0.88 -0.10 120.40 123.60 2k2e s VAL 142 Ca 0.09 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 2k2e s VAL 142 Cb -0.09 -1.68 0.07 0.00 -1.53 0.00 0.00 36.38 33.15 2k2e s VAL 142 CO -0.00 0.57 -0.01 0.00 -3.33 0.00 0.00 175.10 172.33 2k2e s ALA 143 N -0.45 1.80 -0.18 1.54 0.00 0.24 -1.57 121.76 123.13 2k2e s ALA 143 Ca 0.05 -1.37 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 2k2e s ALA 143 Cb -0.11 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2k2e s ALA 143 CO 0.01 -1.30 0.05 -0.51 0.00 0.00 0.00 175.76 174.01 2k2e s LEU 144 N 1.47 3.77 -0.45 0.00 1.43 0.05 0.30 118.68 125.26 2k2e s LEU 144 Ca -0.01 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 2k2e s LEU 144 Cb -0.18 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.15 2k2e s LEU 144 CO -0.09 0.17 0.34 -0.76 0.23 0.00 0.00 176.35 176.24 2k2e s LEU 145 N 0.37 5.41 0.00 1.79 1.43 0.19 -2.36 118.68 125.51 2k2e s LEU 145 Ca 0.02 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 2k2e s LEU 145 Cb -0.12 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2k2e s LEU 145 CO 0.00 -0.59 0.00 -0.81 0.23 0.00 0.00 176.35 175.19 2k2e n PRO 146 N 5.12 3.19 -3.57 1.29 -0.04 -1.26 -3.84 135.00 135.90 2k2e n PRO 146 Ca -0.12 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.17 2k2e n PRO 146 Cb 0.44 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.86 2k2e n PRO 146 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k2e n ASP 147 N 0.00 1.85 0.00 3.54 -0.08 -1.26 -4.73 116.55 115.87 2k2e n ASP 147 Ca 0.00 -2.37 0.00 0.00 -1.51 0.00 0.00 54.79 50.91 2k2e n ASP 147 Cb 0.00 0.47 0.00 0.00 2.34 0.00 0.00 41.12 43.93 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 0.74 0.48 0.27 0.27 0.00 -1.26 -4.41 105.19 101.28 2k2e n GLY 148 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.11 2k2e n GLY 148 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k2e h ASP 149 N 0.02 0.00 0.12 1.61 3.32 -1.94 -2.48 116.42 117.06 2k2e h ASP 149 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2k2e h ASP 149 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2k2e h ASP 149 CO 0.00 0.04 -0.59 0.77 -1.72 0.00 0.00 179.24 177.74 2k2e h SER 150 N 0.00 0.54 -2.56 6.45 4.64 -2.01 -3.38 113.55 117.22 2k2e h SER 150 Ca -0.00 -0.30 -0.70 0.00 -0.47 0.00 0.00 61.79 60.32 2k2e h SER 150 Cb 0.50 -0.16 -0.19 0.00 -0.31 0.00 0.00 62.40 62.25 2k2e h SER 150 CO 0.01 1.01 0.76 -0.76 -0.87 0.00 0.00 176.83 176.97 2k2e s LEU 151 N -8.21 5.25 -0.47 5.97 1.43 -0.93 -4.99 118.68 116.73 2k2e s LEU 151 Ca -0.06 -2.13 -0.28 0.00 -1.03 0.00 0.00 54.13 50.62 2k2e s LEU 151 Cb 0.11 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.98 2k2e s LEU 151 CO 0.83 -1.00 1.06 -1.61 0.23 0.00 0.00 176.35 175.87 2k2e s GLU 152 N 2.38 3.68 0.31 1.70 2.02 -1.26 -4.98 118.70 122.53 2k2e s GLU 152 Ca 0.31 0.45 -0.01 0.00 0.02 0.00 0.00 54.97 55.74 2k2e s GLU 152 Cb -0.05 -3.91 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 2k2e s GLU 152 CO -0.09 -1.31 0.52 -1.01 0.02 0.00 0.00 175.26 173.39 2k2e s HIS 153 N 4.19 3.49 -0.31 1.61 3.76 -1.26 -4.99 115.29 121.78 2k2e s HIS 153 Ca 0.44 0.41 0.27 0.00 -0.15 0.00 0.00 55.06 56.03 2k2e s HIS 153 Cb -0.08 -1.93 1.07 0.00 1.11 0.00 0.00 32.58 32.74 2k2e s HIS 153 CO 0.29 0.18 1.80 1.25 -0.85 0.00 0.00 174.74 177.42 2k2e h HIS 154 N 1.19 0.00 0.00 1.40 2.76 -2.05 -1.56 115.15 116.89 2k2e h HIS 154 Ca -0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2k2e h HIS 154 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.17 2k2e h HIS 154 CO 0.53 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.74 2k2e n HIS 155 N -2.55 0.78 -3.11 5.26 -0.00 -1.26 -4.68 115.22 109.66 2k2e n HIS 155 Ca 0.02 0.33 -0.19 0.00 -0.00 0.00 0.00 57.72 57.88 2k2e n HIS 155 Cb 0.28 -1.03 0.03 0.00 -0.00 0.00 0.00 29.99 29.28 2k2e n HIS 155 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k2e s HIS 156 N -3.36 2.03 -0.19 1.57 4.02 -0.59 -5.12 115.29 113.65 2k2e s HIS 156 Ca 0.03 -0.59 -0.04 0.00 1.02 0.00 0.00 55.06 55.47 2k2e s HIS 156 Cb 0.09 -2.25 0.07 0.00 -1.02 0.00 0.00 32.58 29.46 2k2e s HIS 156 CO 0.35 -0.77 0.08 -1.58 1.02 0.00 0.00 174.74 173.83 2k2e s HIS 157 N -2.54 0.50 0.00 1.40 5.65 -1.26 -4.94 115.29 114.10 2k2e s HIS 157 Ca 0.57 -0.58 0.00 0.00 0.25 0.00 0.00 55.06 55.30 2k2e s HIS 157 Cb -0.07 -0.84 0.00 0.00 -1.18 0.00 0.00 32.58 30.49 2k2e s HIS 157 CO 0.35 -0.58 0.00 1.58 -0.65 0.00 0.00 174.74 175.44