#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 4.10 0.85 0.03 2.20 -1.26 -4.96 119.74 120.70 2k2e s LYS 2 Ca 0.00 2.40 -0.11 0.00 -0.36 0.00 0.00 55.97 57.90 2k2e s LYS 2 Cb 0.00 -4.10 0.10 0.00 -1.51 0.00 0.00 37.83 32.32 2k2e s LYS 2 CO 0.00 -0.98 1.09 -0.51 -0.36 0.00 0.00 175.35 174.60 2k2e s LEU 3 N 4.50 2.46 -0.16 5.43 1.43 -1.26 -4.99 118.68 126.09 2k2e s LEU 3 Ca 0.83 1.48 0.16 0.00 -1.03 0.00 0.00 54.13 55.57 2k2e s LEU 3 Cb -0.38 -4.00 -0.23 0.00 0.03 0.00 0.00 46.19 41.62 2k2e s LEU 3 CO 0.36 -2.37 0.10 1.41 0.23 0.00 0.00 176.35 176.09 2k2e n HIS 4 N -3.71 0.00 0.09 0.29 8.25 -1.26 -4.37 115.22 114.51 2k2e n HIS 4 Ca 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.48 2k2e n HIS 4 Cb 0.55 -0.82 -0.00 0.00 1.12 0.00 0.00 29.99 30.84 2k2e n HIS 4 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2k2e h THR 5 N 0.00 1.58 -3.46 1.59 1.35 -2.03 -3.41 112.91 108.54 2k2e h THR 5 Ca -0.42 -2.83 -0.71 0.00 -0.55 0.00 0.00 66.41 61.89 2k2e h THR 5 Cb 1.95 2.54 -0.29 0.00 -1.73 0.00 0.00 68.15 70.63 2k2e h THR 5 CO 0.02 0.81 -0.48 -1.81 -0.25 0.00 0.00 175.52 173.81 2k2e s ASP 6 N -6.81 5.58 0.14 5.36 1.11 -1.26 -5.07 116.67 115.72 2k2e s ASP 6 Ca -0.01 -1.55 -0.31 0.00 0.18 0.00 0.00 52.55 50.86 2k2e s ASP 6 Cb 0.11 -1.96 -0.09 0.00 1.07 0.00 0.00 42.92 42.04 2k2e s ASP 6 CO 0.80 -0.53 1.51 -2.84 1.18 0.00 0.00 175.17 175.29 2k2e s PRO 7 N 1.39 4.25 -0.31 8.23 0.02 -1.26 -4.51 135.00 142.81 2k2e s PRO 7 Ca 0.03 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 2k2e s PRO 7 Cb -0.23 -3.21 0.06 0.00 0.02 0.00 0.00 34.50 31.14 2k2e s PRO 7 CO 0.01 -0.56 0.02 0.00 -0.33 0.00 0.00 177.00 176.14 2k2e s ALA 8 N 1.23 2.84 0.19 -1.55 0.00 -1.26 -4.95 121.76 118.26 2k2e s ALA 8 Ca 0.68 -1.93 -0.32 0.00 0.00 0.00 0.00 51.96 50.40 2k2e s ALA 8 Cb -0.41 -1.96 -0.11 0.00 0.00 0.00 0.00 23.12 20.63 2k2e s ALA 8 CO 0.31 -1.37 1.67 0.99 0.00 0.00 0.00 175.76 177.36 2k2e s THR 9 N 1.19 2.24 0.44 0.00 2.01 -1.26 -4.89 115.64 115.37 2k2e s THR 9 Ca -0.03 0.17 0.18 0.00 0.31 0.00 0.00 61.69 62.32 2k2e s THR 9 Cb -0.20 -3.11 0.21 0.00 0.01 0.00 0.00 72.50 69.41 2k2e s THR 9 CO -0.02 0.01 2.01 0.00 -0.69 0.00 0.00 174.62 175.92 2k2e h ALA 10 N 6.82 1.56 -3.03 7.40 0.00 -1.99 -3.38 119.26 126.63 2k2e h ALA 10 Ca -0.43 -0.16 -0.67 0.00 0.00 0.00 0.00 54.91 53.65 2k2e h ALA 10 Cb 1.20 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.70 2k2e h ALA 10 CO 0.94 0.22 -0.66 -1.17 0.00 0.00 0.00 179.25 178.58 2k2e s LEU 11 N -8.22 3.46 -0.42 0.00 2.96 -1.26 -5.00 118.68 110.21 2k2e s LEU 11 Ca -0.04 -0.57 -0.29 0.00 -0.22 0.00 0.00 54.13 53.02 2k2e s LEU 11 Cb 0.15 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 45.02 2k2e s LEU 11 CO 0.67 -0.11 1.41 0.21 -1.32 0.00 0.00 176.35 177.20 2k2e s ASN 12 N 1.49 6.32 -0.04 3.68 2.47 -1.23 -4.97 114.94 122.65 2k2e s ASN 12 Ca 0.04 0.79 -0.10 0.00 0.42 0.00 0.00 52.86 54.01 2k2e s ASN 12 Cb -0.16 -2.54 0.02 0.00 -1.45 0.00 0.00 41.25 37.12 2k2e s ASN 12 CO 0.00 -1.45 0.23 -0.89 -3.72 0.00 0.00 177.10 171.27 2k2e s THR 13 N 5.49 0.04 -0.15 -5.21 2.01 -1.26 -4.45 115.64 112.11 2k2e s THR 13 Ca 0.61 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 2k2e s THR 13 Cb -0.13 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 2k2e s THR 13 CO 0.32 -0.20 1.44 -0.69 -0.69 0.00 0.00 174.62 174.81 2k2e s VAL 14 N -0.79 3.96 -0.07 3.82 1.01 -1.26 -3.64 120.40 123.44 2k2e s VAL 14 Ca -0.09 1.15 0.14 0.00 0.00 0.00 0.00 61.98 63.18 2k2e s VAL 14 Cb -0.05 -3.80 -0.22 0.00 0.00 0.00 0.00 36.38 32.32 2k2e s VAL 14 CO 0.02 -0.17 0.65 0.41 0.00 0.00 0.00 175.10 176.01 2k2e n THR 15 N 5.63 1.51 -3.65 3.92 -1.04 0.29 -4.86 114.28 116.08 2k2e n THR 15 Ca 0.16 -0.78 -0.13 0.00 -2.04 0.00 0.00 64.05 61.26 2k2e n THR 15 Cb 0.44 -0.93 -0.13 0.00 -1.82 0.00 0.00 70.33 67.89 2k2e n THR 15 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k2e s ALA 16 N -2.66 -0.62 -0.25 2.41 0.00 -0.98 -5.01 121.76 114.66 2k2e s ALA 16 Ca -0.05 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 2k2e s ALA 16 Cb 0.08 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.13 2k2e s ALA 16 CO 0.82 -0.69 -0.03 -0.47 0.00 0.00 0.00 175.76 175.39 2k2e s TYR 17 N 2.44 3.04 0.00 0.00 5.04 -1.26 -0.13 117.35 126.48 2k2e s TYR 17 Ca 0.01 -1.28 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 2k2e s TYR 17 Cb -0.12 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.08 2k2e s TYR 17 CO -0.09 -0.65 0.00 0.41 -1.34 0.00 0.00 175.55 173.87 2k2e n GLY 18 N 4.74 4.65 3.55 8.97 0.00 -0.87 -5.06 105.19 121.18 2k2e n GLY 18 Ca -0.17 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 2k2e n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2e s ASP 19 N 0.20 6.45 0.00 1.61 2.15 -1.26 -3.79 116.67 122.03 2k2e s ASP 19 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.97 2k2e s ASP 19 Cb 0.00 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2k2e s ASP 19 CO 0.00 -1.08 0.00 0.61 -0.17 0.00 0.00 175.17 174.53 2k2e n GLY 20 N 4.98 0.73 3.37 2.66 0.00 -1.25 -5.02 105.19 110.66 2k2e n GLY 20 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.79 -0.49 -0.21 1.61 -0.85 -1.25 -4.69 117.35 108.67 2k2e s TYR 21 Ca 0.00 1.15 0.00 0.00 -0.52 0.00 0.00 57.07 57.70 2k2e s TYR 21 Cb 0.00 0.19 0.05 0.00 0.38 0.00 0.00 41.96 42.58 2k2e s TYR 21 CO 0.00 -0.30 -0.06 0.42 -1.52 0.00 0.00 175.55 174.09 2k2e s ILE 22 N -0.07 1.44 -0.30 -3.49 1.01 -0.38 -2.04 121.20 117.37 2k2e s ILE 22 Ca -0.03 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.41 2k2e s ILE 22 Cb -0.03 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 2k2e s ILE 22 CO 0.02 -0.00 0.48 -0.70 0.00 0.00 0.00 174.94 174.73 2k2e s GLU 23 N 1.46 3.88 -0.21 2.79 -6.30 0.82 -0.02 118.70 121.11 2k2e s GLU 23 Ca -0.03 0.06 0.01 0.00 -2.50 0.00 0.00 54.97 52.51 2k2e s GLU 23 Cb -0.18 -3.71 0.05 0.00 0.00 0.00 0.00 34.13 30.29 2k2e s GLU 23 CO -0.07 -0.45 -0.09 0.08 0.02 0.00 0.00 175.26 174.75 2k2e s VAL 24 N 2.28 1.64 -1.23 3.70 1.01 -0.34 -0.55 120.40 126.92 2k2e s VAL 24 Ca 0.19 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 2k2e s VAL 24 Cb -0.16 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.46 2k2e s VAL 24 CO 0.11 0.08 0.99 0.59 0.00 0.00 0.00 175.10 176.87 2k2e n ASN 25 N 4.67 -5.87 0.00 3.32 3.02 -1.24 -1.70 115.26 117.46 2k2e n ASN 25 Ca -0.14 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 2k2e n ASN 25 Cb 0.46 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2e n GLN 26 N -4.40 -0.74 -3.66 3.52 6.02 -1.26 -4.86 117.38 112.00 2k2e n GLN 26 Ca -0.00 0.19 -0.39 0.00 -0.01 0.00 0.00 57.00 56.78 2k2e n GLN 26 Cb 0.56 -3.76 -0.11 0.00 1.02 0.00 0.00 30.24 27.95 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 -1.67 4.08 -0.36 5.09 1.01 -0.69 -5.06 120.40 122.80 2k2e s VAL 27 Ca 0.00 -1.27 -0.28 0.00 0.00 0.00 0.00 61.98 60.43 2k2e s VAL 27 Cb 0.00 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.98 2k2e s VAL 27 CO 0.00 -0.37 1.03 0.00 0.00 0.00 0.00 175.10 175.76 2k2e s ARG 28 N 1.42 3.94 -0.19 2.72 1.70 -1.26 -1.19 118.95 126.08 2k2e s ARG 28 Ca 0.02 0.82 -0.13 0.00 -0.47 0.00 0.00 55.73 55.97 2k2e s ARG 28 Cb -0.21 -3.78 -0.05 0.00 -0.57 0.00 0.00 34.95 30.34 2k2e s ARG 28 CO 0.03 -0.98 0.25 -0.06 -1.08 0.00 0.00 175.30 173.46 2k2e s PHE 29 N 3.69 3.40 -0.96 5.89 0.08 0.97 -4.90 117.98 126.14 2k2e s PHE 29 Ca 0.43 0.47 0.17 0.00 0.12 0.00 0.00 56.93 58.11 2k2e s PHE 29 Cb -0.11 -2.33 0.60 0.00 -0.57 0.00 0.00 43.02 40.61 2k2e s PHE 29 CO 0.19 0.16 1.51 -1.13 -0.10 0.00 0.00 175.22 175.85 2k2e n SER 30 N 3.90 4.18 -4.15 1.36 3.41 -1.26 -1.25 113.62 119.81 2k2e n SER 30 Ca -0.13 -2.43 -0.15 0.00 -0.26 0.00 0.00 58.87 55.91 2k2e n SER 30 Cb 0.52 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.79 1.38 0.41 7.33 -3.43 -1.26 -4.79 115.29 113.14 2k2e s HIS 31 Ca 0.43 -1.34 -0.27 0.00 -0.80 0.00 0.00 55.06 53.09 2k2e s HIS 31 Cb 0.28 -0.72 -0.09 0.00 -1.43 0.00 0.00 32.58 30.62 2k2e s HIS 31 CO 0.20 -0.54 1.41 0.00 -2.00 0.00 0.00 174.74 173.81 2k2e s ALA 32 N -3.91 3.36 -0.04 -1.38 0.00 -1.26 -4.88 121.76 113.66 2k2e s ALA 32 Ca 0.38 1.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.75 2k2e s ALA 32 Cb 0.07 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2k2e s ALA 32 CO 0.14 -1.02 0.08 0.96 0.00 0.00 0.00 175.76 175.92 2k2e s ILE 33 N -1.19 -0.02 -0.17 0.00 -4.36 -1.01 -0.34 121.20 114.11 2k2e s ILE 33 Ca 0.57 0.07 0.01 0.00 -0.26 0.00 0.00 60.65 61.04 2k2e s ILE 33 Cb -0.43 -0.14 0.02 0.00 1.25 0.00 0.00 42.46 43.16 2k2e s ILE 33 CO 0.56 0.03 -0.20 0.00 0.24 0.00 0.00 174.94 175.57 2k2e s ALA 34 N 0.43 2.28 0.14 2.27 0.00 0.87 -0.17 121.76 127.59 2k2e s ALA 34 Ca -0.03 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 2k2e s ALA 34 Cb -0.05 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.94 2k2e s ALA 34 CO -0.02 -0.30 0.32 -0.59 0.00 0.00 0.00 175.76 175.18 2k2e s PHE 35 N 1.22 0.13 0.15 0.00 -0.71 -0.44 -0.57 117.98 117.76 2k2e s PHE 35 Ca 0.03 -0.50 0.05 0.00 -1.04 0.00 0.00 56.93 55.47 2k2e s PHE 35 Cb -0.13 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 2k2e s PHE 35 CO -0.11 -0.70 -0.11 0.00 -1.34 0.00 0.00 175.22 172.95 2k2e s ALA 36 N -3.89 1.50 0.45 1.99 0.00 -1.23 -1.84 121.76 118.73 2k2e s ALA 36 Ca 0.10 -1.45 0.11 0.00 0.00 0.00 0.00 51.96 50.72 2k2e s ALA 36 Cb 0.03 0.01 1.02 0.00 0.00 0.00 0.00 23.12 24.17 2k2e s ALA 36 CO -0.06 -0.03 2.09 -1.00 0.00 0.00 0.00 175.76 176.76 2k2e h PRO 37 N 2.95 0.32 -3.77 0.00 0.13 -1.78 -3.36 132.00 126.50 2k2e h PRO 37 Ca -0.37 -0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.15 2k2e h PRO 37 Cb 1.20 -0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.86 2k2e h PRO 37 CO 0.60 0.22 -0.76 -2.00 -0.23 0.00 0.00 178.00 175.83 2k2e s GLU 38 N -5.31 0.91 0.00 0.86 2.56 -1.26 -3.56 118.70 112.90 2k2e s GLU 38 Ca -0.07 -1.01 0.00 0.00 0.00 0.00 0.00 54.97 53.89 2k2e s GLU 38 Cb 0.17 -2.21 0.00 0.00 2.00 0.00 0.00 34.13 34.09 2k2e s GLU 38 CO 0.71 -0.86 0.00 0.41 -0.56 0.00 0.00 175.26 174.96 2k2e n GLY 39 N 4.81 0.09 3.92 -1.50 0.00 -1.26 -5.14 105.19 106.11 2k2e n GLY 39 Ca -0.04 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 2k2e n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k2e s PRO 40 N -2.00 3.27 -0.38 1.61 0.04 -1.26 -4.83 135.00 131.44 2k2e s PRO 40 Ca 0.00 -0.03 -0.02 0.00 0.04 0.00 0.00 61.00 60.99 2k2e s PRO 40 Cb 0.00 -2.40 0.10 0.00 0.04 0.00 0.00 34.50 32.24 2k2e s PRO 40 CO 0.00 -0.34 0.15 0.08 0.04 0.00 0.00 177.00 176.94 2k2e s VAL 41 N -2.75 3.11 -0.27 -0.36 1.01 -1.26 -3.58 120.40 116.30 2k2e s VAL 41 Ca 0.49 -1.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.39 2k2e s VAL 41 Cb -0.10 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2k2e s VAL 41 CO 0.43 -0.59 0.13 0.00 0.00 0.00 0.00 175.10 175.07 2k2e s ALA 42 N 1.13 3.31 0.19 5.51 0.00 0.26 -4.96 121.76 127.20 2k2e s ALA 42 Ca 0.07 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 50.54 2k2e s ALA 42 Cb -0.22 -2.28 -0.09 0.00 0.00 0.00 0.00 23.12 20.53 2k2e s ALA 42 CO -0.04 -0.60 1.43 -1.12 0.00 0.00 0.00 175.76 175.42 2k2e s SER 43 N 1.66 6.73 -0.18 0.00 0.01 -1.26 -0.09 113.70 120.57 2k2e s SER 43 Ca 0.06 2.52 -0.12 0.00 1.31 0.00 0.00 55.95 59.72 2k2e s SER 43 Cb -0.16 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.42 2k2e s SER 43 CO 0.07 -0.68 0.22 0.86 0.41 0.00 0.00 173.24 174.12 2k2e s TRP 44 N 0.52 3.43 -1.91 2.43 -0.00 0.54 -4.88 118.94 119.07 2k2e s TRP 44 Ca 0.62 0.47 0.12 0.00 -0.00 0.00 0.00 56.10 57.31 2k2e s TRP 44 Cb -0.40 -2.27 0.72 0.00 -0.00 0.00 0.00 33.47 31.53 2k2e s TRP 44 CO 0.37 0.25 1.19 -0.35 -0.00 0.00 0.00 176.95 178.41 2k2e n PRO 45 N 3.60 0.35 -2.79 5.86 -0.04 -1.26 -4.35 135.00 136.37 2k2e n PRO 45 Ca -0.14 0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 62.93 2k2e n PRO 45 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.09 4.27 -0.22 0.52 1.01 -1.26 -4.79 120.40 117.84 2k2e s VAL 46 Ca 0.18 -0.57 0.22 0.00 0.00 0.00 0.00 61.98 61.80 2k2e s VAL 46 Cb 0.09 -4.79 -0.01 0.00 0.00 0.00 0.00 36.38 31.67 2k2e s VAL 46 CO 0.15 -1.59 1.04 -0.61 0.00 0.00 0.00 175.10 174.09 2k2e h GLN 47 N 9.50 0.00 -4.58 2.72 4.15 -1.94 -3.38 115.11 121.58 2k2e h GLN 47 Ca -0.13 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.79 2k2e h GLN 47 Cb 1.05 0.00 -0.33 0.00 0.21 0.00 0.00 27.48 28.41 2k2e h GLN 47 CO 1.21 0.05 -0.81 1.03 -1.93 0.00 0.00 178.83 178.38 2k2e s ARG 48 N -3.29 1.61 0.00 1.69 0.52 -1.26 -4.95 118.95 113.27 2k2e s ARG 48 Ca -0.01 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 2k2e s ARG 48 Cb 0.09 -1.35 0.00 0.00 0.52 0.00 0.00 34.95 34.21 2k2e s ARG 48 CO 0.79 0.05 0.38 -0.35 0.02 0.00 0.00 175.30 176.18 2k2e n PRO 49 N 3.73 0.42 0.00 3.54 -0.04 -1.26 -2.32 135.00 139.07 2k2e n PRO 49 Ca -0.22 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.37 2k2e n PRO 49 Cb 0.52 -1.04 0.52 0.00 -0.04 0.00 0.00 33.50 33.45 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 -0.34 2.79 -3.30 0.55 0.00 -1.26 -4.33 120.51 114.62 2k2e n ALA 50 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 2k2e n ALA 50 Cb 0.02 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.39 2.23 -4.14 0.00 8.00 -0.98 -5.03 116.55 116.23 2k2e n ASP 51 Ca 0.16 -3.13 -0.35 0.00 0.71 0.00 0.00 54.79 52.18 2k2e n ASP 51 Cb 0.32 -0.65 -0.13 0.00 -0.02 0.00 0.00 41.12 40.64 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 -2.02 2.92 0.48 0.53 1.01 -1.26 -4.82 121.20 118.03 2k2e s ILE 52 Ca 0.38 -1.61 0.05 0.00 0.00 0.00 0.00 60.65 59.48 2k2e s ILE 52 Cb 0.17 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 2k2e s ILE 52 CO -0.06 -0.25 0.22 0.42 0.00 0.00 0.00 174.94 175.27 2k2e s THR 53 N 1.19 1.82 0.16 2.92 -4.23 -1.26 -5.03 115.64 111.20 2k2e s THR 53 Ca -0.02 -1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 58.66 2k2e s THR 53 Cb -0.20 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.17 2k2e s THR 53 CO -0.03 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.78 2k2e h ALA 54 N 1.17 0.65 -0.94 3.99 0.00 -1.93 -2.03 119.26 120.17 2k2e h ALA 54 Ca -0.41 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.38 2k2e h ALA 54 Cb 1.28 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2k2e h ALA 54 CO 0.66 0.23 0.62 0.77 0.00 0.00 0.00 179.25 181.54 2k2e h SER 55 N 0.67 1.07 0.17 0.00 0.02 -1.96 0.12 113.55 113.63 2k2e h SER 55 Ca 0.17 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.96 2k2e h SER 55 Cb 0.15 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2k2e h SER 55 CO -0.02 0.76 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.86 2k2e h LEU 56 N 1.25 0.41 -0.76 5.07 3.38 -1.91 -2.35 115.31 120.39 2k2e h LEU 56 Ca 0.36 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2k2e h LEU 56 Cb -0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2k2e h LEU 56 CO -0.09 0.84 -0.33 -0.07 0.09 0.00 0.00 178.44 178.88 2k2e h LEU 57 N 0.30 0.58 -0.71 1.67 3.38 -0.57 -0.42 115.31 119.53 2k2e h LEU 57 Ca 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2k2e h LEU 57 Cb 0.98 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2k2e h LEU 57 CO 0.08 0.87 0.36 1.56 0.09 0.00 0.00 178.44 181.40 2k2e h GLN 58 N 0.47 1.01 -0.40 1.13 4.20 -0.70 -1.00 115.11 119.82 2k2e h GLN 58 Ca 0.05 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 2k2e h GLN 58 Cb 0.81 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2k2e h GLN 58 CO 0.07 0.78 -0.28 1.96 -0.67 0.00 0.00 178.83 180.68 2k2e h GLN 59 N 0.99 0.85 0.00 1.46 4.20 -1.23 -2.90 115.11 118.48 2k2e h GLN 59 Ca 0.25 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2k2e h GLN 59 Cb 0.09 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2k2e h GLN 59 CO -0.03 1.03 0.00 0.00 -0.67 0.00 0.00 178.83 179.15 2k2e h ALA 60 N 0.95 1.00 -0.00 3.87 0.00 -0.55 -1.17 119.26 123.35 2k2e h ALA 60 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k2e h ALA 60 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k2e h ALA 60 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2k2e n ALA 61 N -2.08 2.68 -0.72 0.00 0.00 -0.43 -4.59 120.51 115.39 2k2e n ALA 61 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2k2e n ALA 61 Cb 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.00 0.86 1.09 0.00 0.00 -0.44 -4.82 105.19 102.88 2k2e n GLY 62 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 3.06 0.03 0.99 4.77 -1.21 -4.01 117.00 120.62 2k2e n LEU 63 Ca 0.00 -1.56 -0.08 0.00 -0.03 0.00 0.00 56.01 54.33 2k2e n LEU 63 Cb 0.00 -0.57 -0.13 0.00 -2.33 0.00 0.00 43.42 40.39 2k2e n LEU 63 CO 0.00 0.48 -0.18 0.00 -1.33 0.00 0.00 177.39 176.36 2k2e h ALA 64 N 2.26 0.53 0.00 -1.18 0.00 -1.76 -3.37 119.26 115.74 2k2e h ALA 64 Ca 0.07 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2k2e h ALA 64 Cb 1.18 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2k2e h ALA 64 CO 0.22 1.39 -0.80 0.39 0.00 0.00 0.00 179.25 180.45 2k2e n GLU 65 N -3.23 2.62 -3.53 0.00 1.02 -1.26 -5.01 120.64 111.26 2k2e n GLU 65 Ca -0.08 -0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.65 2k2e n GLU 65 Cb 1.00 -1.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2k2e n GLU 65 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2k2e s VAL 66 N -2.07 5.06 0.25 2.62 -7.23 -1.26 -5.08 120.40 112.69 2k2e s VAL 66 Ca 0.00 0.76 0.03 0.00 -1.81 0.00 0.00 61.98 60.96 2k2e s VAL 66 Cb 0.05 -3.69 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 2k2e s VAL 66 CO 0.31 0.54 0.12 1.33 -0.31 0.00 0.00 175.10 177.10 2k2e n VAL 67 N 1.70 0.00 -1.24 1.32 0.24 -1.26 -4.91 118.33 114.18 2k2e n VAL 67 Ca -0.13 -1.57 -0.12 0.00 -2.04 0.00 0.00 64.34 60.48 2k2e n VAL 67 Cb 0.52 0.63 0.22 0.00 -1.47 0.00 0.00 33.84 33.75 2k2e n VAL 67 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k2e n ARG 68 N -0.54 2.51 -4.27 7.34 1.74 -1.26 -4.89 116.66 117.28 2k2e n ARG 68 Ca -0.01 -3.07 -0.23 0.00 -0.77 0.00 0.00 57.85 53.77 2k2e n ARG 68 Cb 0.40 -2.06 -0.07 0.00 -1.02 0.00 0.00 32.46 29.71 2k2e n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k2e s ASP 69 N -1.66 4.67 0.70 0.55 1.01 -1.26 -4.99 116.67 115.68 2k2e s ASP 69 Ca 0.52 -0.59 -0.16 0.00 0.71 0.00 0.00 52.55 53.02 2k2e s ASP 69 Cb 0.44 -0.92 -0.00 0.00 1.01 0.00 0.00 42.92 43.45 2k2e s ASP 69 CO 0.08 -0.00 1.03 -2.65 0.21 0.00 0.00 175.17 173.83 2k2e n PRO 70 N -0.91 0.64 -0.38 8.23 -0.02 -1.26 -4.89 135.00 136.41 2k2e n PRO 70 Ca -0.07 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2k2e n PRO 70 Cb 0.59 -2.27 0.14 0.00 -0.02 0.00 0.00 33.50 31.94 2k2e n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2k2e n LEU 71 N -1.65 3.17 -4.16 2.45 4.77 -1.26 -4.86 117.00 115.47 2k2e n LEU 71 Ca 0.14 -1.62 -0.17 0.00 -0.03 0.00 0.00 56.01 54.33 2k2e n LEU 71 Cb 0.49 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 2k2e n LEU 71 CO 0.48 0.46 0.06 0.00 -1.33 0.00 0.00 177.39 177.06 2k2e s ALA 72 N -1.62 1.23 -1.24 -1.18 0.00 -1.26 -5.01 121.76 112.68 2k2e s ALA 72 Ca 0.22 -1.76 0.27 0.00 0.00 0.00 0.00 51.96 50.69 2k2e s ALA 72 Cb 0.17 1.27 1.29 0.00 0.00 0.00 0.00 23.12 25.85 2k2e s ALA 72 CO 0.06 -0.75 1.91 0.34 0.00 0.00 0.00 175.76 177.32 2k2e n PHE 73 N -0.61 0.00 -3.70 0.00 7.35 -1.26 -4.81 117.46 114.42 2k2e n PHE 73 Ca 0.04 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.51 2k2e n PHE 73 Cb 0.62 -0.38 -0.04 0.00 0.35 0.00 0.00 39.48 40.03 2k2e n PHE 73 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2k2e s LEU 74 N -2.76 3.44 0.53 -2.13 1.43 -1.26 -5.14 118.68 112.79 2k2e s LEU 74 Ca 0.20 -0.68 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2k2e s LEU 74 Cb 0.18 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 44.40 2k2e s LEU 74 CO 0.45 -0.53 0.70 -1.81 0.23 0.00 0.00 176.35 175.39 2k2e s ASP 75 N -4.06 5.20 -0.33 2.29 1.01 -1.26 -4.77 116.67 114.76 2k2e s ASP 75 Ca 0.45 -0.77 -0.00 0.00 0.71 0.00 0.00 52.55 52.94 2k2e s ASP 75 Cb -0.04 0.04 0.11 0.00 1.01 0.00 0.00 42.92 44.04 2k2e s ASP 75 CO 0.27 -1.16 0.12 -0.70 0.21 0.00 0.00 175.17 173.91 2k2e s GLU 76 N -4.54 0.83 0.21 8.23 2.56 -1.26 -4.98 118.70 119.74 2k2e s GLU 76 Ca 0.58 -1.25 0.23 0.00 0.00 0.00 0.00 54.97 54.53 2k2e s GLU 76 Cb -0.06 -2.08 0.10 0.00 2.00 0.00 0.00 34.13 34.09 2k2e s GLU 76 CO 0.36 -1.01 1.16 -1.00 -0.56 0.00 0.00 175.26 174.20 2k2e h PRO 77 N 7.86 0.00 0.00 4.30 0.13 -2.05 -3.41 132.00 138.83 2k2e h PRO 77 Ca -0.11 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.76 2k2e h PRO 77 Cb 1.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.09 2k2e h PRO 77 CO 0.47 0.00 -1.69 0.39 -0.23 0.00 0.00 178.00 176.95 2k2e n GLU 78 N -2.60 0.56 -2.47 0.86 1.02 -1.26 -4.76 120.64 111.99 2k2e n GLU 78 Ca 0.01 0.37 -0.40 0.00 -0.02 0.00 0.00 57.16 57.12 2k2e n GLU 78 Cb 0.52 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 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 -2.57 2.63 -0.19 0.62 0.00 -1.26 -4.86 121.76 116.13 2k2e s ALA 79 Ca -0.32 -1.45 -0.00 0.00 0.00 0.00 0.00 51.96 50.19 2k2e s ALA 79 Cb 0.09 -4.32 0.15 0.00 0.00 0.00 0.00 23.12 19.04 2k2e s ALA 79 CO 0.47 -3.48 1.87 0.41 0.00 0.00 0.00 175.76 175.04 2k2e n GLY 80 N 5.74 3.40 2.65 0.00 0.00 -1.26 -4.60 105.19 111.12 2k2e n GLY 80 Ca 0.12 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.15 1.75 -0.30 4.61 0.00 -1.26 -5.08 121.76 120.32 2k2e s ALA 81 Ca 0.20 -2.28 -0.03 0.00 0.00 0.00 0.00 51.96 49.85 2k2e s ALA 81 Cb 0.16 -1.78 0.05 0.00 0.00 0.00 0.00 23.12 21.54 2k2e s ALA 81 CO 0.00 -2.02 0.01 0.20 0.00 0.00 0.00 175.76 173.96 2k2e s GLY 82 N 0.71 1.76 -0.10 0.00 0.00 -1.26 -4.87 107.32 103.56 2k2e s GLY 82 Ca 0.17 -1.75 -0.07 0.00 0.00 0.00 0.00 44.72 43.07 2k2e s GLY 82 CO -0.03 0.70 0.13 0.00 0.00 0.00 0.00 173.10 173.91 2k2e n ALA 83 N 4.66 -3.31 -2.06 3.20 0.00 -1.26 -4.94 120.51 116.80 2k2e n ALA 83 Ca -0.13 1.35 -0.42 0.00 0.00 0.00 0.00 53.44 54.24 2k2e n ALA 83 Cb 0.44 -2.68 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 2k2e n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k2e s ARG 84 N -0.85 4.38 0.00 0.00 0.52 -1.26 -4.88 118.95 116.85 2k2e s ARG 84 Ca -0.16 2.04 0.08 0.00 -0.52 0.00 0.00 55.73 57.17 2k2e s ARG 84 Cb 0.01 -3.21 0.46 0.00 0.52 0.00 0.00 34.95 32.72 2k2e s ARG 84 CO 0.42 -0.29 0.87 -2.30 0.02 0.00 0.00 175.30 174.03 2k2e n PRO 85 N 2.95 0.40 -0.10 3.54 -0.02 -1.26 -0.93 135.00 139.58 2k2e n PRO 85 Ca 0.07 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.59 2k2e n PRO 85 Cb 0.43 -1.30 0.09 0.00 -0.02 0.00 0.00 33.50 32.70 2k2e n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e n ALA 86 N -0.80 2.20 1.16 3.55 0.00 -1.26 -4.46 120.51 120.90 2k2e n ALA 86 Ca 0.06 -0.99 0.13 0.00 0.00 0.00 0.00 53.44 52.63 2k2e n ALA 86 Cb 0.03 -0.30 0.27 0.00 0.00 0.00 0.00 19.45 19.45 2k2e n ALA 86 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k2e n ASN 87 N 0.26 2.43 -4.92 0.00 5.15 -0.10 -4.90 115.26 113.17 2k2e n ASN 87 Ca 0.07 -1.81 -0.28 0.00 -0.60 0.00 0.00 54.58 51.97 2k2e n ASN 87 Cb 0.34 -0.01 -0.03 0.00 -0.53 0.00 0.00 39.78 39.54 2k2e n ASN 87 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2e s ALA 88 N -1.97 3.80 0.23 5.20 0.00 -1.26 -5.05 121.76 122.72 2k2e s ALA 88 Ca 0.32 -0.76 -0.32 0.00 0.00 0.00 0.00 51.96 51.20 2k2e s ALA 88 Cb 0.20 -2.05 -0.12 0.00 0.00 0.00 0.00 23.12 21.15 2k2e s ALA 88 CO 0.31 0.44 1.62 -0.35 0.00 0.00 0.00 175.76 177.78 2k2e n PRO 89 N -0.61 2.55 0.08 0.00 -0.04 -1.26 -4.85 135.00 130.87 2k2e n PRO 89 Ca -0.04 0.91 -0.11 0.00 -0.04 0.00 0.00 63.50 64.23 2k2e n PRO 89 Cb 0.54 -2.70 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 2k2e n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k2e h GLU 90 N 5.67 0.28 -4.19 0.54 5.08 -0.97 -3.35 114.58 117.63 2k2e h GLU 90 Ca -0.45 -0.31 -0.38 0.00 -1.00 0.00 0.00 59.36 57.22 2k2e h GLU 90 Cb 1.23 0.09 -0.32 0.00 0.50 0.00 0.00 28.75 30.25 2k2e h GLU 90 CO 0.87 1.03 -0.77 0.54 -1.00 0.00 0.00 179.01 179.68 2k2e s VAL 91 N -3.18 0.51 -0.28 3.13 0.11 -1.06 0.01 120.40 119.64 2k2e s VAL 91 Ca -0.04 -0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2k2e s VAL 91 Cb 0.09 -0.49 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2k2e s VAL 91 CO 0.85 0.19 -0.02 -0.22 -3.33 0.00 0.00 175.10 172.57 2k2e s LEU 92 N 0.46 3.60 -0.33 2.54 2.96 0.00 -2.09 118.68 125.82 2k2e s LEU 92 Ca -0.06 -1.04 -0.17 0.00 -0.22 0.00 0.00 54.13 52.64 2k2e s LEU 92 Cb -0.10 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 2k2e s LEU 92 CO -0.00 -0.20 0.46 -0.76 -1.32 0.00 0.00 176.35 174.53 2k2e s LEU 93 N 1.31 4.31 -0.57 -0.68 1.43 0.36 -0.44 118.68 124.40 2k2e s LEU 93 Ca -0.02 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 2k2e s LEU 93 Cb -0.18 -2.52 0.11 0.00 0.03 0.00 0.00 46.19 43.63 2k2e s LEU 93 CO -0.02 -0.40 0.63 -0.69 0.23 0.00 0.00 176.35 176.10 2k2e s VAL 94 N 2.26 4.95 -1.28 -1.59 1.01 0.48 -0.18 120.40 126.04 2k2e s VAL 94 Ca 0.17 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 2k2e s VAL 94 Cb -0.16 -4.42 0.13 0.00 0.00 0.00 0.00 36.38 31.93 2k2e s VAL 94 CO 0.12 -1.01 1.72 0.61 0.00 0.00 0.00 175.10 176.54 2k2e n GLY 95 N 5.26 3.67 3.35 4.51 0.00 0.13 -0.61 105.19 121.50 2k2e n GLY 95 Ca -0.11 -1.85 -0.47 0.00 0.00 0.00 0.00 46.02 43.60 2k2e n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k2e s THR 96 N 2.12 5.47 0.01 2.61 2.01 0.09 -0.33 115.64 127.62 2k2e s THR 96 Ca 0.45 -2.30 0.09 0.00 0.31 0.00 0.00 61.69 60.24 2k2e s THR 96 Cb 0.04 -4.51 -0.23 0.00 0.01 0.00 0.00 72.50 67.81 2k2e s THR 96 CO 0.01 -1.09 0.87 1.23 -0.69 0.00 0.00 174.62 174.95 2k2e h GLY 97 N 8.20 0.03 0.80 4.40 0.00 -1.74 -3.35 103.07 111.41 2k2e h GLY 97 Ca 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2k2e h GLY 97 CO 0.81 0.08 -0.02 -0.09 0.00 0.00 0.00 176.54 177.32 2k2e h ARG 98 N 0.01 -0.04 -3.15 4.80 2.43 -1.84 -3.44 114.38 113.14 2k2e h ARG 98 Ca -0.20 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.77 2k2e h ARG 98 Cb 1.94 0.01 -0.30 0.00 -0.42 0.00 0.00 29.97 31.20 2k2e h ARG 98 CO 0.10 0.17 -0.52 1.03 -1.51 0.00 0.00 179.97 179.24 2k2e s ARG 99 N -5.37 0.17 -0.88 0.20 0.52 -1.26 -5.09 118.95 107.25 2k2e s ARG 99 Ca -0.14 0.42 -0.25 0.00 -0.52 0.00 0.00 55.73 55.24 2k2e s ARG 99 Cb 0.04 -0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.40 2k2e s ARG 99 CO 0.66 -0.13 1.80 -0.65 0.02 0.00 0.00 175.30 177.00 2k2e s GLN 100 N 0.96 2.81 -0.43 3.54 -0.21 -1.26 -4.78 119.66 120.30 2k2e s GLN 100 Ca -0.07 -0.35 -0.28 0.00 0.02 0.00 0.00 55.36 54.67 2k2e s GLN 100 Cb -0.09 -5.00 0.01 0.00 1.00 0.00 0.00 33.01 28.93 2k2e s GLN 100 CO -0.06 -2.99 1.49 -1.58 -2.12 0.00 0.00 175.29 170.03 2k2e s HIS 101 N 8.67 2.27 0.03 0.91 5.65 -1.26 -4.95 115.29 126.61 2k2e s HIS 101 Ca 0.63 0.64 -0.30 0.00 0.25 0.00 0.00 55.06 56.28 2k2e s HIS 101 Cb -0.06 -4.29 -0.09 0.00 -1.18 0.00 0.00 32.58 26.96 2k2e s HIS 101 CO 0.01 -2.14 1.94 -0.51 -0.65 0.00 0.00 174.74 173.39 2k2e s LEU 102 N 5.87 4.43 0.41 8.88 1.43 -1.26 -4.96 118.68 133.48 2k2e s LEU 102 Ca 0.63 2.64 -0.22 0.00 -1.03 0.00 0.00 54.13 56.15 2k2e s LEU 102 Cb -0.14 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.44 2k2e s LEU 102 CO 0.31 -1.04 0.94 -0.76 0.23 0.00 0.00 176.35 176.04 2k2e s LEU 103 N 4.37 4.01 0.03 1.79 1.43 -1.26 -5.06 118.68 123.99 2k2e s LEU 103 Ca 0.87 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 55.69 2k2e s LEU 103 Cb -0.42 -4.44 -0.04 0.00 0.03 0.00 0.00 46.19 41.32 2k2e s LEU 103 CO 0.40 -0.31 0.06 -0.83 0.23 0.00 0.00 176.35 175.91 2k2e s GLY 104 N -2.08 1.99 0.47 -3.19 0.00 -1.26 -5.00 107.32 98.24 2k2e s GLY 104 Ca 0.60 -0.95 0.17 0.00 0.00 0.00 0.00 44.72 44.54 2k2e s GLY 104 CO 0.15 -0.87 1.99 -2.55 0.00 0.00 0.00 173.10 171.82 2k2e h PRO 105 N 3.78 0.26 0.00 2.90 0.11 -1.97 0.25 132.00 137.33 2k2e h PRO 105 Ca -0.48 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.42 2k2e h PRO 105 Cb 1.17 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2k2e h PRO 105 CO 0.63 0.17 -0.95 0.93 -0.21 0.00 0.00 178.00 178.57 2k2e h GLU 106 N 0.27 0.00 -0.11 1.05 5.08 -1.98 -2.15 114.58 116.73 2k2e h GLU 106 Ca 0.26 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.43 2k2e h GLU 106 Cb 0.67 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2k2e h GLU 106 CO -0.06 0.93 -0.69 1.96 -1.00 0.00 0.00 179.01 180.15 2k2e h GLN 107 N 0.00 0.66 -0.14 2.33 4.20 -1.40 -3.09 115.11 117.68 2k2e h GLN 107 Ca -0.01 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.13 2k2e h GLN 107 Cb 1.72 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.63 2k2e h GLN 107 CO 0.12 1.18 0.00 1.33 -0.67 0.00 0.00 178.83 180.79 2k2e n VAL 108 N -4.06 0.16 0.29 -0.54 0.24 -0.48 -4.43 118.33 109.50 2k2e n VAL 108 Ca -0.08 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.34 61.67 2k2e n VAL 108 Cb 0.70 0.60 -0.08 0.00 -1.47 0.00 0.00 33.84 33.59 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 2.79 -0.69 -0.14 7.34 2.43 -1.29 0.17 114.38 124.98 2k2e h ARG 109 Ca 0.00 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2k2e h ARG 109 Cb 0.60 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2k2e h ARG 109 CO 0.00 -0.46 0.13 -1.00 -1.51 0.00 0.00 179.97 177.13 2k2e h PRO 110 N -0.72 0.00 0.13 0.20 0.13 -1.78 0.11 132.00 130.07 2k2e h PRO 110 Ca -0.06 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.82 2k2e h PRO 110 Cb 0.57 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.71 2k2e h PRO 110 CO 0.09 0.00 -1.17 -0.07 -0.23 0.00 0.00 178.00 176.61 2k2e h LEU 111 N 0.00 0.44 -1.36 1.56 3.38 -1.75 -3.18 115.31 114.40 2k2e h LEU 111 Ca 0.07 -0.90 -0.02 0.00 0.09 0.00 0.00 57.88 57.12 2k2e h LEU 111 Cb 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2k2e h LEU 111 CO -0.00 1.53 0.22 -0.07 0.09 0.00 0.00 178.44 180.21 2k2e h LEU 112 N -0.31 0.59 -1.73 1.67 3.38 0.07 0.16 115.31 119.15 2k2e h LEU 112 Ca -0.24 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2k2e h LEU 112 Cb 1.73 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 2k2e h LEU 112 CO 0.11 0.51 -0.17 0.00 0.09 0.00 0.00 178.44 178.97 2k2e h ALA 113 N 1.58 1.39 0.00 1.53 0.00 -0.90 -1.40 119.26 121.46 2k2e h ALA 113 Ca 0.16 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2k2e h ALA 113 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k2e h ALA 113 CO -0.02 0.22 -0.75 0.52 0.00 0.00 0.00 179.25 179.22 2k2e h MET 114 N 0.00 0.00 0.00 0.00 2.86 -1.24 -3.47 114.93 113.08 2k2e h MET 114 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k2e h MET 114 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2k2e h MET 114 CO 0.02 0.32 0.00 0.41 1.06 0.00 0.00 176.91 178.72 2k2e n GLY 115 N 1.25 1.02 3.53 8.32 0.00 -0.53 -5.07 105.19 113.71 2k2e n GLY 115 Ca -0.01 0.00 -0.42 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 4.12 -0.73 1.61 1.01 0.47 -4.65 120.40 120.22 2k2e s VAL 116 Ca 0.00 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.00 2k2e s VAL 116 Cb 0.00 -4.71 0.02 0.00 0.00 0.00 0.00 36.38 31.69 2k2e s VAL 116 CO 0.00 -1.44 1.39 -0.83 0.00 0.00 0.00 175.10 174.22 2k2e s GLY 117 N 3.30 0.78 -0.09 4.51 0.00 0.10 -3.23 107.32 112.69 2k2e s GLY 117 Ca 0.32 -1.29 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 2k2e s GLY 117 CO 0.17 2.79 0.80 0.14 0.00 0.00 0.00 173.10 177.00 2k2e s VAL 118 N 6.30 4.95 -0.02 1.40 1.01 -1.26 -0.82 120.40 131.96 2k2e s VAL 118 Ca 0.41 1.63 0.03 0.00 0.00 0.00 0.00 61.98 64.05 2k2e s VAL 118 Cb -0.08 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 2k2e s VAL 118 CO 0.15 0.15 -0.11 -1.61 0.00 0.00 0.00 175.10 173.68 2k2e s GLU 119 N 1.36 1.09 -0.21 2.72 2.02 0.41 -4.92 118.70 121.18 2k2e s GLU 119 Ca 0.40 -0.38 -0.18 0.00 0.02 0.00 0.00 54.97 54.83 2k2e s GLU 119 Cb -0.18 -1.01 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 2k2e s GLU 119 CO 0.18 0.16 0.50 0.00 0.02 0.00 0.00 175.26 176.13 2k2e s ALA 120 N 0.07 3.55 0.07 5.21 0.00 -1.26 -0.39 121.76 129.01 2k2e s ALA 120 Ca -0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 2k2e s ALA 120 Cb -0.08 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 2k2e s ALA 120 CO 0.01 -0.49 0.05 1.41 0.00 0.00 0.00 175.76 176.74 2k2e s MET 121 N 1.74 0.70 0.50 0.00 0.00 0.22 -4.94 119.30 117.51 2k2e s MET 121 Ca 0.23 -1.13 -0.23 0.00 0.00 0.00 0.00 55.69 54.56 2k2e s MET 121 Cb -0.15 0.26 -0.06 0.00 0.00 0.00 0.00 34.83 34.87 2k2e s MET 121 CO 0.09 -0.17 1.33 -0.51 0.00 0.00 0.00 175.02 175.77 2k2e s ASP 122 N -2.90 5.62 0.22 1.11 1.11 -1.26 -0.73 116.67 119.84 2k2e s ASP 122 Ca 0.06 2.71 -0.08 0.00 0.18 0.00 0.00 52.55 55.42 2k2e s ASP 122 Cb 0.07 -2.63 0.34 0.00 1.07 0.00 0.00 42.92 41.77 2k2e s ASP 122 CO -0.10 -1.33 1.73 0.74 1.18 0.00 0.00 175.17 177.38 2k2e h THR 123 N 1.76 0.69 0.01 -1.27 2.02 -1.79 0.41 112.91 114.75 2k2e h THR 123 Ca -0.50 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 2k2e h THR 123 Cb 1.28 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2k2e h THR 123 CO 0.59 0.07 -0.01 -0.61 0.37 0.00 0.00 175.52 175.93 2k2e h GLN 124 N 0.37 -0.02 -0.14 6.66 4.15 -1.91 -1.42 115.11 122.80 2k2e h GLN 124 Ca 0.34 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.62 2k2e h GLN 124 Cb 0.49 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2k2e h GLN 124 CO -0.37 -0.01 -0.54 0.00 -1.93 0.00 0.00 178.83 175.98 2k2e h ALA 125 N 0.96 0.80 -0.35 3.38 0.00 -1.72 -2.06 119.26 120.27 2k2e h ALA 125 Ca -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2k2e h ALA 125 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k2e h ALA 125 CO 0.00 0.69 0.10 0.00 0.00 0.00 0.00 179.25 180.04 2k2e h ALA 126 N 1.10 0.45 -0.52 0.00 0.00 -0.08 0.10 119.26 120.31 2k2e h ALA 126 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k2e h ALA 126 Cb 1.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2k2e h ALA 126 CO 0.09 0.11 0.26 0.00 0.00 0.00 0.00 179.25 179.71 2k2e h ALA 127 N 0.94 0.67 -0.12 0.00 0.00 -1.18 0.18 119.26 119.75 2k2e h ALA 127 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2k2e h ALA 127 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k2e h ALA 127 CO -0.00 0.22 0.03 -0.09 0.00 0.00 0.00 179.25 179.41 2k2e h ARG 128 N 0.69 0.09 -0.72 0.00 2.43 -1.16 -0.44 114.38 115.26 2k2e h ARG 128 Ca 0.18 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2k2e h ARG 128 Cb 0.10 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2k2e h ARG 128 CO -0.02 0.06 0.36 1.15 -1.51 0.00 0.00 179.97 180.00 2k2e h THR 129 N 0.09 1.23 -0.14 0.20 2.02 -0.56 -1.81 112.91 113.95 2k2e h THR 129 Ca 0.05 -0.64 0.04 0.00 0.77 0.00 0.00 66.41 66.64 2k2e h THR 129 Cb 0.03 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 2k2e h THR 129 CO -0.06 0.27 -0.14 0.22 0.37 0.00 0.00 175.52 176.18 2k2e h TYR 130 N 1.01 -0.34 -0.85 3.16 3.20 -0.31 -0.22 116.97 122.61 2k2e h TYR 130 Ca 0.25 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.18 2k2e h TYR 130 Cb 0.10 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 2k2e h TYR 130 CO 0.00 -0.20 0.54 -0.91 -1.64 0.00 0.00 178.16 175.95 2k2e h ASN 131 N -0.16 0.89 0.41 -2.11 2.35 -0.76 0.12 115.58 116.32 2k2e h ASN 131 Ca 0.09 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2k2e h ASN 131 Cb 0.30 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2k2e h ASN 131 CO -0.23 0.61 -0.20 0.40 -1.65 0.00 0.00 177.43 176.35 2k2e h ILE 132 N 1.04 0.59 -0.18 2.81 2.04 -0.90 -1.26 117.51 121.66 2k2e h ILE 132 Ca 0.34 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 2k2e h ILE 132 Cb 0.03 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2k2e h ILE 132 CO -0.12 0.04 -0.13 -0.07 0.00 0.00 0.00 178.15 177.87 2k2e h LEU 133 N -0.68 0.27 -0.49 1.44 3.38 -0.79 -0.55 115.31 117.90 2k2e h LEU 133 Ca -0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2k2e h LEU 133 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2k2e h LEU 133 CO 0.09 0.43 0.13 -0.03 0.09 0.00 0.00 178.44 179.15 2k2e h MET 134 N 0.27 0.77 0.00 1.13 4.05 -0.67 -1.59 114.93 118.89 2k2e h MET 134 Ca 0.05 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.25 2k2e h MET 134 Cb 0.40 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2k2e h MET 134 CO 0.02 0.75 -0.19 0.00 0.23 0.00 0.00 176.91 177.72 2k2e h ALA 135 N 0.99 1.05 -0.01 0.39 0.00 -0.27 -1.90 119.26 119.51 2k2e h ALA 135 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k2e h ALA 135 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k2e h ALA 135 CO -0.00 0.24 -0.14 0.39 0.00 0.00 0.00 179.25 179.74 2k2e n GLU 136 N -3.40 1.02 -3.05 0.00 1.02 -0.31 -4.95 120.64 110.98 2k2e n GLU 136 Ca -0.00 -0.53 -0.13 0.00 -0.02 0.00 0.00 57.16 56.48 2k2e n GLU 136 Cb 0.39 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.38 2k2e n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k2e n GLY 137 N 1.27 -0.00 3.51 0.62 0.00 -0.71 -5.04 105.19 104.83 2k2e n GLY 137 Ca 0.15 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.41 1.82 -0.64 1.61 3.52 -0.67 -5.05 118.95 114.13 2k2e s ARG 138 Ca 0.21 -1.54 -0.27 0.00 -0.13 0.00 0.00 55.73 54.00 2k2e s ARG 138 Cb -0.09 -1.94 -0.00 0.00 -1.56 0.00 0.00 34.95 31.36 2k2e s ARG 138 CO 0.45 0.38 1.66 1.03 -0.81 0.00 0.00 175.30 178.01 2k2e s ARG 139 N -3.18 2.84 -0.03 5.12 3.00 -1.26 -4.56 118.95 120.88 2k2e s ARG 139 Ca 0.27 0.36 0.03 0.00 0.00 0.00 0.00 55.73 56.38 2k2e s ARG 139 Cb -0.07 -4.31 0.00 0.00 0.00 0.00 0.00 34.95 30.58 2k2e s ARG 139 CO 0.14 -2.51 -0.10 0.54 0.00 0.00 0.00 175.30 173.38 2k2e s VAL 140 N 7.90 0.84 0.01 3.52 0.11 -1.26 -0.36 120.40 131.15 2k2e s VAL 140 Ca 0.57 -0.38 0.05 0.00 -2.93 0.00 0.00 61.98 59.29 2k2e s VAL 140 Cb -0.11 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2k2e s VAL 140 CO 0.19 0.26 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.38 2k2e s VAL 141 N 0.23 1.20 -0.03 2.04 1.01 -0.89 -4.29 120.40 119.68 2k2e s VAL 141 Ca -0.04 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.18 2k2e s VAL 141 Cb -0.09 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 2k2e s VAL 141 CO 0.01 0.22 -0.13 0.54 0.00 0.00 0.00 175.10 175.74 2k2e s VAL 142 N -0.54 1.06 -0.24 2.92 0.11 -0.77 -0.48 120.40 122.45 2k2e s VAL 142 Ca 0.05 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 2k2e s VAL 142 Cb -0.07 -0.91 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 2k2e s VAL 142 CO 0.00 0.31 -0.10 0.00 -3.33 0.00 0.00 175.10 171.98 2k2e s ALA 143 N -0.01 2.59 -0.21 1.54 0.00 0.74 -1.32 121.76 125.09 2k2e s ALA 143 Ca -0.01 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.31 2k2e s ALA 143 Cb -0.08 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2k2e s ALA 143 CO 0.01 -0.89 0.13 -0.51 0.00 0.00 0.00 175.76 174.50 2k2e s LEU 144 N 1.24 4.12 -0.47 0.00 1.43 0.75 0.22 118.68 125.96 2k2e s LEU 144 Ca -0.02 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2k2e s LEU 144 Cb -0.17 -2.08 0.13 0.00 0.03 0.00 0.00 46.19 44.09 2k2e s LEU 144 CO -0.06 0.13 0.23 -0.76 0.23 0.00 0.00 176.35 176.12 2k2e s LEU 145 N 0.65 4.79 0.00 1.79 1.43 0.55 -2.41 118.68 125.48 2k2e s LEU 145 Ca 0.07 -2.59 0.00 0.00 -1.03 0.00 0.00 54.13 50.59 2k2e s LEU 145 Cb -0.12 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2k2e s LEU 145 CO 0.01 -0.35 0.00 -0.81 0.23 0.00 0.00 176.35 175.43 2k2e n PRO 146 N 3.74 2.45 -4.35 1.29 -0.04 -1.26 -2.95 135.00 133.89 2k2e n PRO 146 Ca 0.04 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.22 2k2e n PRO 146 Cb 0.38 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.72 2k2e n PRO 146 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2k2e s ASP 147 N -1.00 3.72 0.00 3.54 2.15 -1.26 -4.71 116.67 119.11 2k2e s ASP 147 Ca 0.00 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.30 2k2e s ASP 147 Cb 0.00 -0.44 0.00 0.00 -0.30 0.00 0.00 42.92 42.18 2k2e s ASP 147 CO 0.00 0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.76 2k2e n GLY 148 N 0.54 0.06 3.49 2.66 0.00 -1.26 -3.74 105.19 106.95 2k2e n GLY 148 Ca -0.14 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2k2e n GLY 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k2e s ASP 149 N 0.00 6.27 0.83 1.61 2.15 -1.26 -5.06 116.67 121.21 2k2e s ASP 149 Ca 0.00 -0.54 -0.11 0.00 0.43 0.00 0.00 52.55 52.32 2k2e s ASP 149 Cb 0.00 -2.29 0.09 0.00 -0.30 0.00 0.00 42.92 40.42 2k2e s ASP 149 CO 0.00 -0.74 1.10 -0.94 -0.17 0.00 0.00 175.17 174.41 2k2e s SER 150 N 2.07 4.19 0.31 -0.34 1.04 -1.26 -4.96 113.70 114.75 2k2e s SER 150 Ca 0.18 1.37 0.16 0.00 0.48 0.00 0.00 55.95 58.14 2k2e s SER 150 Cb -0.16 -2.09 0.28 0.00 0.10 0.00 0.00 66.02 64.16 2k2e s SER 150 CO 0.16 -2.17 1.54 -0.07 0.98 0.00 0.00 173.24 173.69 2k2e h LEU 151 N -1.22 0.00 -7.85 2.42 3.38 -2.07 -3.40 115.31 106.57 2k2e h LEU 151 Ca -0.48 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.82 2k2e h LEU 151 Cb 1.27 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.65 2k2e h LEU 151 CO 0.58 0.47 -0.79 -0.70 0.09 0.00 0.00 178.44 178.09 2k2e s GLU 152 N -3.17 2.15 0.03 1.13 2.12 -1.26 -5.10 118.70 114.60 2k2e s GLU 152 Ca 0.03 -1.42 -0.30 0.00 0.36 0.00 0.00 54.97 53.64 2k2e s GLU 152 Cb 0.09 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 2k2e s GLU 152 CO 0.72 -0.62 1.04 -1.58 -0.54 0.00 0.00 175.26 174.29 2k2e s HIS 153 N 1.08 3.61 0.00 5.30 5.65 -1.26 -4.99 115.29 124.67 2k2e s HIS 153 Ca -0.06 1.59 0.00 0.00 0.25 0.00 0.00 55.06 56.84 2k2e s HIS 153 Cb -0.20 -3.21 0.00 0.00 -1.18 0.00 0.00 32.58 28.00 2k2e s HIS 153 CO -0.05 -0.37 0.00 1.58 -0.65 0.00 0.00 174.74 175.25 2k2e n HIS 154 N 3.77 0.00 -2.60 3.88 -0.00 -1.26 -4.07 115.22 114.93 2k2e n HIS 154 Ca 0.06 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.81 2k2e n HIS 154 Cb 0.49 -0.27 -0.02 0.00 -0.12 0.00 0.00 29.99 30.08 2k2e n HIS 154 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k2e s HIS 155 N -0.68 3.22 -0.16 1.57 3.76 -1.26 -3.55 115.29 118.19 2k2e s HIS 155 Ca 0.00 1.35 -0.01 0.00 -0.15 0.00 0.00 55.06 56.25 2k2e s HIS 155 Cb 0.00 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.35 2k2e s HIS 155 CO 0.00 -0.78 0.17 0.72 -0.85 0.00 0.00 174.74 174.00 2k2e n HIS 156 N 6.41 -0.79 0.55 1.40 8.25 -1.26 -4.99 115.22 124.79 2k2e n HIS 156 Ca 0.12 0.31 0.12 0.00 -0.26 0.00 0.00 57.72 58.01 2k2e n HIS 156 Cb 0.46 -2.15 0.22 0.00 1.12 0.00 0.00 29.99 29.63 2k2e n HIS 156 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k2e h HIS 157 N 0.24 0.00 -0.00 4.41 2.76 -1.70 -3.44 115.15 117.41 2k2e h HIS 157 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k2e h HIS 157 Cb 0.76 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2k2e h HIS 157 CO 0.04 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.25