#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 0.46 0.49 0.03 1.02 -1.26 -5.02 119.74 115.47 2k2e s LYS 2 Ca 0.00 -0.50 0.29 0.00 0.02 0.00 0.00 55.97 55.78 2k2e s LYS 2 Cb 0.00 0.19 1.08 0.00 -0.52 0.00 0.00 37.83 38.57 2k2e s LYS 2 CO 0.00 -0.11 1.88 -0.07 -0.92 0.00 0.00 175.35 176.13 2k2e h LEU 3 N 4.26 0.00 -7.41 3.17 3.38 -2.09 -3.37 115.31 113.26 2k2e h LEU 3 Ca -0.31 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.05 2k2e h LEU 3 Cb 1.20 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.55 2k2e h LEU 3 CO 0.42 0.10 -0.75 -1.00 0.09 0.00 0.00 178.44 177.30 2k2e s HIS 4 N -3.61 2.41 -0.06 1.13 3.76 -1.26 -5.11 115.29 112.53 2k2e s HIS 4 Ca 0.01 -2.07 -0.22 0.00 -0.15 0.00 0.00 55.06 52.64 2k2e s HIS 4 Cb 0.09 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2k2e s HIS 4 CO 0.60 -0.87 0.63 0.95 -0.85 0.00 0.00 174.74 175.20 2k2e s THR 5 N 1.38 5.05 -0.92 1.30 -4.23 -1.26 -4.13 115.64 112.83 2k2e s THR 5 Ca 0.07 1.30 -0.05 0.00 -1.18 0.00 0.00 61.69 61.83 2k2e s THR 5 Cb -0.18 -3.97 -0.03 0.00 1.34 0.00 0.00 72.50 69.66 2k2e s THR 5 CO -0.16 0.30 0.79 0.47 -0.54 0.00 0.00 174.62 175.48 2k2e n ASP 6 N 3.55 -6.80 -0.44 3.99 9.92 -1.26 -4.91 116.55 120.60 2k2e n ASP 6 Ca -0.04 -0.51 0.09 0.00 -0.53 0.00 0.00 54.79 53.80 2k2e n ASP 6 Cb 0.51 -4.70 0.36 0.00 -0.64 0.00 0.00 41.12 36.65 2k2e n ASP 6 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k2e n PRO 7 N -2.72 1.58 -2.56 -0.24 -0.04 -1.26 -4.74 135.00 125.00 2k2e n PRO 7 Ca -0.06 -0.87 -0.41 0.00 -0.04 0.00 0.00 63.50 62.11 2k2e n PRO 7 Cb 0.57 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 2k2e n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2e s ALA 8 N -1.80 2.72 0.64 0.55 0.00 -1.26 -4.99 121.76 117.62 2k2e s ALA 8 Ca 0.29 -2.18 -0.14 0.00 0.00 0.00 0.00 51.96 49.93 2k2e s ALA 8 Cb 0.15 -4.50 -0.01 0.00 0.00 0.00 0.00 23.12 18.76 2k2e s ALA 8 CO 0.23 -3.58 1.07 0.95 0.00 0.00 0.00 175.76 174.43 2k2e s THR 9 N 5.02 3.70 0.00 0.00 -4.23 -1.26 -4.90 115.64 113.97 2k2e s THR 9 Ca 0.45 0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 61.64 2k2e s THR 9 Cb -0.01 -3.29 -0.20 0.00 1.34 0.00 0.00 72.50 70.34 2k2e s THR 9 CO -0.08 -0.55 2.96 0.00 -0.54 0.00 0.00 174.62 176.41 2k2e n ALA 10 N -2.45 5.32 -3.16 3.99 0.00 -1.26 -4.34 120.51 118.61 2k2e n ALA 10 Ca 0.09 -1.33 -0.18 0.00 0.00 0.00 0.00 53.44 52.02 2k2e n ALA 10 Cb 0.53 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 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 0.00 0.28 -0.49 0.00 1.43 -1.03 -3.33 118.68 115.53 2k2e s LEU 11 Ca 0.49 -2.50 -0.27 0.00 -1.03 0.00 0.00 54.13 50.82 2k2e s LEU 11 Cb 0.23 0.47 -0.04 0.00 0.03 0.00 0.00 46.19 46.88 2k2e s LEU 11 CO 0.00 -0.13 2.11 0.20 0.23 0.00 0.00 176.35 178.76 2k2e s ASN 12 N 0.43 5.01 0.03 2.29 0.01 -0.60 -4.95 114.94 117.17 2k2e s ASN 12 Ca 0.31 0.90 0.04 0.00 -0.71 0.00 0.00 52.86 53.40 2k2e s ASN 12 Cb 0.01 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 2k2e s ASN 12 CO -0.13 -2.47 -0.04 -0.89 -1.51 0.00 0.00 177.10 172.05 2k2e s THR 13 N 10.05 3.80 -0.34 1.60 2.01 -1.26 -4.61 115.64 126.89 2k2e s THR 13 Ca 0.84 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 2k2e s THR 13 Cb -0.17 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2k2e s THR 13 CO 0.26 0.30 1.78 -0.69 -0.69 0.00 0.00 174.62 175.58 2k2e s VAL 14 N -1.10 3.49 0.03 3.82 1.01 -1.26 -4.31 120.40 122.09 2k2e s VAL 14 Ca 0.20 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.49 2k2e s VAL 14 Cb -0.11 -3.67 -0.18 0.00 0.00 0.00 0.00 36.38 32.42 2k2e s VAL 14 CO 0.11 -0.43 1.24 0.71 0.00 0.00 0.00 175.10 176.72 2k2e h THR 15 N 6.79 1.38 -3.23 3.92 1.35 -1.80 -3.44 112.91 117.88 2k2e h THR 15 Ca -0.33 -1.73 -0.41 0.00 -0.55 0.00 0.00 66.41 63.39 2k2e h THR 15 Cb 1.17 2.17 -0.39 0.00 -1.73 0.00 0.00 68.15 69.36 2k2e h THR 15 CO 1.04 0.51 -0.75 0.00 -0.25 0.00 0.00 175.52 176.07 2k2e s ALA 16 N -3.76 0.36 0.01 6.62 0.00 -0.71 -5.05 121.76 119.22 2k2e s ALA 16 Ca -0.13 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2k2e s ALA 16 Cb 0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 2k2e s ALA 16 CO 0.80 -0.70 -0.05 -0.47 0.00 0.00 0.00 175.76 175.34 2k2e s TYR 17 N 2.13 0.46 0.00 0.00 5.04 -1.26 -1.08 117.35 122.64 2k2e s TYR 17 Ca 0.04 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 2k2e s TYR 17 Cb -0.13 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 41.89 2k2e s TYR 17 CO -0.05 -0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.54 2k2e n GLY 18 N 2.63 -0.43 3.02 8.97 0.00 -1.26 -5.09 105.19 113.03 2k2e n GLY 18 Ca -0.15 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 1.59 -0.16 0.00 1.61 2.15 -1.26 -5.00 116.67 115.60 2k2e s ASP 19 Ca 0.00 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.31 2k2e s ASP 19 Cb 0.00 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 2k2e s ASP 19 CO 0.00 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 2k2e n GLY 20 N 3.34 0.80 3.87 2.66 0.00 -1.26 -4.99 105.19 109.61 2k2e n GLY 20 Ca -0.16 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 2k2e n GLY 20 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k2e s TYR 21 N 0.00 1.77 -0.03 1.61 1.13 -1.26 -2.48 117.35 118.08 2k2e s TYR 21 Ca 0.00 -0.83 0.04 0.00 -1.41 0.00 0.00 57.07 54.86 2k2e s TYR 21 Cb 0.00 -1.87 -0.00 0.00 -1.10 0.00 0.00 41.96 38.99 2k2e s TYR 21 CO 0.00 -0.30 -0.14 0.42 -2.51 0.00 0.00 175.55 173.03 2k2e s ILE 22 N -2.77 1.13 -0.20 -3.49 1.01 -1.21 -4.40 121.20 111.27 2k2e s ILE 22 Ca 0.30 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 2k2e s ILE 22 Cb -0.01 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2k2e s ILE 22 CO 0.18 0.33 -0.10 -0.70 0.00 0.00 0.00 174.94 174.65 2k2e s GLU 23 N 0.03 3.24 -0.14 2.79 -6.30 -0.24 0.05 118.70 118.14 2k2e s GLU 23 Ca -0.02 -0.70 -0.01 0.00 -2.50 0.00 0.00 54.97 51.75 2k2e s GLU 23 Cb -0.09 -2.84 0.03 0.00 0.00 0.00 0.00 34.13 31.23 2k2e s GLU 23 CO 0.01 -0.18 -0.06 0.08 0.02 0.00 0.00 175.26 175.13 2k2e s VAL 24 N 1.35 1.02 -0.94 3.70 1.01 -0.39 -1.74 120.40 124.41 2k2e s VAL 24 Ca 0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2k2e s VAL 24 Cb -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2k2e s VAL 24 CO -0.06 0.24 0.79 -3.20 0.00 0.00 0.00 175.10 172.87 2k2e n ASN 25 N 4.93 -2.13 -0.81 3.32 2.85 -1.26 -3.00 115.26 119.16 2k2e n ASN 25 Ca -0.12 -0.48 -0.11 0.00 -0.11 0.00 0.00 54.58 53.76 2k2e n ASN 25 Cb 0.49 -4.12 -0.05 0.00 1.24 0.00 0.00 39.78 37.35 2k2e n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2e n GLN 26 N -3.46 -0.90 -4.00 1.20 6.02 -1.26 -4.98 117.38 110.00 2k2e n GLN 26 Ca -0.22 0.84 -0.27 0.00 -0.01 0.00 0.00 57.00 57.34 2k2e n GLN 26 Cb 0.63 -4.84 -0.17 0.00 1.02 0.00 0.00 30.24 26.88 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 -2.31 1.13 -0.43 5.09 1.01 -1.16 -5.10 120.40 118.63 2k2e s VAL 27 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 2k2e s VAL 27 Cb 0.00 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2k2e s VAL 27 CO 0.00 0.38 0.78 -0.13 0.00 0.00 0.00 175.10 176.13 2k2e s ARG 28 N 1.56 3.47 -0.36 2.72 0.52 -1.26 -1.26 118.95 124.34 2k2e s ARG 28 Ca 0.03 -0.04 -0.20 0.00 -0.52 0.00 0.00 55.73 55.00 2k2e s ARG 28 Cb -0.13 -3.91 0.00 0.00 0.52 0.00 0.00 34.95 31.43 2k2e s ARG 28 CO -0.07 -1.06 0.63 -0.06 0.02 0.00 0.00 175.30 174.76 2k2e s PHE 29 N 3.23 3.15 -0.31 -0.53 0.08 0.11 -4.91 117.98 118.80 2k2e s PHE 29 Ca 0.30 0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.73 2k2e s PHE 29 Cb -0.12 -3.13 0.45 0.00 -0.57 0.00 0.00 43.02 39.64 2k2e s PHE 29 CO 0.21 -0.62 1.57 0.43 -0.10 0.00 0.00 175.22 176.71 2k2e n SER 30 N 6.03 3.55 -3.92 1.36 7.64 -1.26 -3.31 113.62 123.71 2k2e n SER 30 Ca -0.01 -3.00 -0.09 0.00 1.01 0.00 0.00 58.87 56.77 2k2e n SER 30 Cb 0.49 -0.71 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.14 0.22 0.54 1.43 -3.43 -1.26 -5.04 115.29 105.60 2k2e s HIS 31 Ca 0.37 -0.59 -0.21 0.00 -0.80 0.00 0.00 55.06 53.83 2k2e s HIS 31 Cb 0.31 0.23 -0.05 0.00 -1.43 0.00 0.00 32.58 31.64 2k2e s HIS 31 CO 0.07 -0.95 1.26 0.00 -2.00 0.00 0.00 174.74 173.13 2k2e s ALA 32 N -3.97 2.77 0.00 -1.38 0.00 -1.25 -4.70 121.76 113.23 2k2e s ALA 32 Ca 0.18 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 2k2e s ALA 32 Cb -0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2k2e s ALA 32 CO 0.05 -1.13 0.01 0.96 0.00 0.00 0.00 175.76 175.65 2k2e s ILE 33 N -1.45 0.06 -0.08 0.00 -4.36 -0.99 -1.17 121.20 113.21 2k2e s ILE 33 Ca 0.71 -0.46 -0.00 0.00 -0.26 0.00 0.00 60.65 60.65 2k2e s ILE 33 Cb -0.34 -0.17 0.02 0.00 1.25 0.00 0.00 42.46 43.22 2k2e s ILE 33 CO 0.40 -0.25 -0.04 0.00 0.24 0.00 0.00 174.94 175.28 2k2e s ALA 34 N -0.75 0.95 0.15 2.27 0.00 0.73 -0.95 121.76 124.15 2k2e s ALA 34 Ca -0.08 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 51.46 2k2e s ALA 34 Cb -0.05 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.38 2k2e s ALA 34 CO -0.00 -0.29 0.39 -0.59 0.00 0.00 0.00 175.76 175.26 2k2e s PHE 35 N 1.53 -0.03 0.20 0.00 -0.71 -0.41 -0.29 117.98 118.26 2k2e s PHE 35 Ca -0.00 -0.31 0.11 0.00 -1.04 0.00 0.00 56.93 55.68 2k2e s PHE 35 Cb -0.13 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 2k2e s PHE 35 CO -0.04 -0.74 -0.22 0.00 -1.34 0.00 0.00 175.22 172.87 2k2e s ALA 36 N -3.86 2.46 0.10 1.99 0.00 -1.21 -1.40 121.76 119.84 2k2e s ALA 36 Ca 0.07 -1.64 -0.32 0.00 0.00 0.00 0.00 51.96 50.08 2k2e s ALA 36 Cb 0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 23.12 22.72 2k2e s ALA 36 CO -0.07 0.38 1.59 -1.00 0.00 0.00 0.00 175.76 176.65 2k2e h PRO 37 N 3.11 -0.70 -0.92 0.00 0.13 -1.82 -1.84 132.00 129.95 2k2e h PRO 37 Ca -0.45 0.05 -0.33 0.00 -0.87 0.00 0.00 66.00 64.40 2k2e h PRO 37 Cb 1.21 0.16 -0.19 0.00 0.13 0.00 0.00 31.00 32.31 2k2e h PRO 37 CO 0.50 -0.47 0.41 0.39 -0.23 0.00 0.00 178.00 178.60 2k2e n GLU 38 N -5.48 2.53 -2.67 0.86 1.02 -1.21 -1.55 120.64 114.14 2k2e n GLU 38 Ca -0.09 -2.49 -0.07 0.00 -0.02 0.00 0.00 57.16 54.49 2k2e n GLU 38 Cb 0.39 -2.00 -0.02 0.00 -0.02 0.00 0.00 31.44 29.78 2k2e n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k2e n GLY 39 N -0.53 3.92 3.95 0.62 0.00 -0.69 -5.03 105.19 107.42 2k2e n GLY 39 Ca 0.43 -2.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.44 1.83 -0.30 1.61 0.04 -1.26 -4.56 135.00 129.92 2k2e s PRO 40 Ca 0.04 -0.56 -0.06 0.00 0.04 0.00 0.00 61.00 60.45 2k2e s PRO 40 Cb 0.00 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2k2e s PRO 40 CO 0.03 -1.44 0.08 0.08 0.04 0.00 0.00 177.00 175.79 2k2e s VAL 41 N -3.28 3.84 -0.14 -0.36 1.01 -1.26 -3.30 120.40 116.92 2k2e s VAL 41 Ca 0.64 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2k2e s VAL 41 Cb -0.08 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2k2e s VAL 41 CO 0.45 0.03 0.01 0.00 0.00 0.00 0.00 175.10 175.59 2k2e s ALA 42 N 1.47 3.24 -0.09 5.51 0.00 0.60 -4.97 121.76 127.51 2k2e s ALA 42 Ca 0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 2k2e s ALA 42 Cb -0.18 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2k2e s ALA 42 CO 0.02 0.34 1.17 -1.12 0.00 0.00 0.00 175.76 176.17 2k2e s SER 43 N -0.09 7.07 -0.22 0.00 0.01 -1.26 -0.19 113.70 119.01 2k2e s SER 43 Ca 0.04 1.72 -0.12 0.00 1.31 0.00 0.00 55.95 58.91 2k2e s SER 43 Cb -0.13 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 2k2e s SER 43 CO 0.02 -0.59 0.22 0.86 0.41 0.00 0.00 173.24 174.15 2k2e s TRP 44 N 2.43 3.35 -2.02 2.43 -0.00 -0.31 -4.89 118.94 119.93 2k2e s TRP 44 Ca 0.54 0.36 0.08 0.00 -0.00 0.00 0.00 56.10 57.07 2k2e s TRP 44 Cb -0.23 -2.31 0.32 0.00 -0.00 0.00 0.00 33.47 31.25 2k2e s TRP 44 CO 0.19 0.10 1.23 -0.35 -0.00 0.00 0.00 176.95 178.12 2k2e n PRO 45 N 4.15 1.29 -3.39 5.86 -0.05 -1.26 -3.83 135.00 137.77 2k2e n PRO 45 Ca -0.13 -0.44 -0.38 0.00 -0.05 0.00 0.00 63.50 62.49 2k2e n PRO 45 Cb 0.52 -1.15 -0.06 0.00 -0.05 0.00 0.00 33.50 32.75 2k2e n PRO 45 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 2k2e s VAL 46 N -1.85 5.05 0.00 0.52 1.01 -1.26 -4.96 120.40 118.90 2k2e s VAL 46 Ca 0.14 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2k2e s VAL 46 Cb 0.07 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2k2e s VAL 46 CO 0.10 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.67 2k2e n GLN 47 N 2.57 0.00 -3.50 2.72 6.02 -1.26 -4.47 117.38 119.46 2k2e n GLN 47 Ca -0.11 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.50 2k2e n GLN 47 Cb 0.52 -0.54 -0.06 0.00 1.02 0.00 0.00 30.24 31.18 2k2e n GLN 47 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2k2e s ARG 48 N -2.00 3.92 0.02 -1.09 0.52 -1.26 -4.95 118.95 114.10 2k2e s ARG 48 Ca 0.00 0.41 0.11 0.00 -0.52 0.00 0.00 55.73 55.72 2k2e s ARG 48 Cb 0.00 -3.22 0.46 0.00 0.52 0.00 0.00 34.95 32.71 2k2e s ARG 48 CO 0.00 0.69 1.34 -2.30 0.02 0.00 0.00 175.30 175.05 2k2e n PRO 49 N 1.84 0.01 -0.14 3.54 -0.02 -1.26 -0.99 135.00 137.97 2k2e n PRO 49 Ca -0.14 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 2k2e n PRO 49 Cb 0.52 -1.52 0.28 0.00 -0.02 0.00 0.00 33.50 32.76 2k2e n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2e n ALA 50 N -1.52 2.46 0.50 3.55 0.00 -1.26 -3.96 120.51 120.28 2k2e n ALA 50 Ca 0.02 -0.78 0.06 0.00 0.00 0.00 0.00 53.44 52.74 2k2e n ALA 50 Cb 0.12 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 18.66 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 0.98 2.05 -4.70 0.00 9.92 -0.17 -4.99 116.55 119.65 2k2e n ASP 51 Ca 0.18 -1.53 -0.42 0.00 -0.53 0.00 0.00 54.79 52.49 2k2e n ASP 51 Cb 0.48 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 40.93 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 -1.03 4.10 0.09 0.53 1.01 -1.25 -5.01 121.20 119.65 2k2e s ILE 52 Ca 0.15 1.47 0.02 0.00 0.00 0.00 0.00 60.65 62.29 2k2e s ILE 52 Cb 0.10 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2k2e s ILE 52 CO 0.15 0.04 -0.08 -0.89 0.00 0.00 0.00 174.94 174.17 2k2e s THR 53 N 1.81 0.73 0.18 2.92 2.01 -1.26 -5.07 115.64 116.96 2k2e s THR 53 Ca 0.58 -1.70 -0.15 0.00 0.31 0.00 0.00 61.69 60.73 2k2e s THR 53 Cb -0.27 -1.39 0.12 0.00 0.01 0.00 0.00 72.50 70.97 2k2e s THR 53 CO 0.25 -0.70 1.67 0.00 -0.69 0.00 0.00 174.62 175.16 2k2e h ALA 54 N 3.41 0.38 -0.84 7.40 0.00 -1.96 -1.16 119.26 126.49 2k2e h ALA 54 Ca -0.36 0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2k2e h ALA 54 Cb 1.18 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 2k2e h ALA 54 CO 0.57 -0.42 0.55 0.77 0.00 0.00 0.00 179.25 180.72 2k2e h SER 55 N 0.06 0.82 -0.03 0.00 0.02 -1.97 0.07 113.55 112.52 2k2e h SER 55 Ca 0.23 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 2k2e h SER 55 Cb 0.35 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2k2e h SER 55 CO -0.43 0.53 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.49 2k2e h LEU 56 N 0.93 0.44 -0.34 5.07 3.38 -1.64 -1.55 115.31 121.59 2k2e h LEU 56 Ca 0.36 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 2k2e h LEU 56 Cb 0.21 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2k2e h LEU 56 CO -0.13 0.68 -0.79 -0.07 0.09 0.00 0.00 178.44 178.22 2k2e h LEU 57 N 0.39 0.45 -0.71 1.67 3.38 -0.69 -1.77 115.31 118.03 2k2e h LEU 57 Ca 0.06 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2k2e h LEU 57 Cb 0.63 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2k2e h LEU 57 CO 0.04 1.08 0.36 1.56 0.09 0.00 0.00 178.44 181.57 2k2e h GLN 58 N 0.24 1.02 -0.48 1.13 4.20 -0.59 -0.05 115.11 120.56 2k2e h GLN 58 Ca -0.04 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 2k2e h GLN 58 Cb 1.39 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 2k2e h GLN 58 CO 0.13 0.79 -0.07 1.96 -0.67 0.00 0.00 178.83 180.97 2k2e h GLN 59 N 0.99 0.90 0.00 1.46 4.20 -1.24 -1.80 115.11 119.63 2k2e h GLN 59 Ca 0.25 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2k2e h GLN 59 Cb 0.10 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2k2e h GLN 59 CO -0.03 0.97 -0.27 0.00 -0.67 0.00 0.00 178.83 178.83 2k2e h ALA 60 N 0.90 1.32 0.00 3.87 0.00 -0.98 -1.49 119.26 122.88 2k2e h ALA 60 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k2e h ALA 60 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k2e h ALA 60 CO 0.04 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.63 2k2e n ALA 61 N -2.38 2.52 -1.03 0.00 0.00 -0.06 -4.73 120.51 114.82 2k2e n ALA 61 Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 2k2e n ALA 61 Cb 0.35 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 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 1.21 0.49 0.01 0.00 0.00 -0.56 -4.74 105.19 101.60 2k2e n GLY 62 Ca 0.16 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.14 0.35 0.00 0.99 4.77 -0.69 -4.85 117.00 117.42 2k2e n LEU 63 Ca -0.01 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 2k2e n LEU 63 Cb 0.05 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2k2e n LEU 63 CO 0.02 0.09 0.21 0.00 -1.33 0.00 0.00 177.39 176.37 2k2e n ALA 64 N -1.48 0.09 -2.10 -1.18 0.00 -1.23 -4.97 120.51 109.64 2k2e n ALA 64 Ca 0.06 -0.75 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 2k2e n ALA 64 Cb 0.34 0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 2k2e n ALA 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k2e s GLU 65 N -3.40 3.29 0.15 0.00 2.02 -1.26 -4.95 118.70 114.54 2k2e s GLU 65 Ca 0.25 1.16 -0.31 0.00 0.02 0.00 0.00 54.97 56.09 2k2e s GLU 65 Cb -0.01 -4.18 -0.10 0.00 0.10 0.00 0.00 34.13 29.94 2k2e s GLU 65 CO 0.17 -1.92 1.60 0.08 0.02 0.00 0.00 175.26 175.21 2k2e s VAL 66 N 6.83 2.66 -1.17 2.63 1.01 -1.26 -4.87 120.40 126.23 2k2e s VAL 66 Ca 0.73 0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.93 2k2e s VAL 66 Cb -0.19 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2k2e s VAL 66 CO 0.31 0.02 1.97 1.33 0.00 0.00 0.00 175.10 178.73 2k2e n VAL 67 N 4.15 2.77 0.00 2.92 0.24 -1.26 -4.35 118.33 122.80 2k2e n VAL 67 Ca 0.14 -2.65 0.00 0.00 -2.04 0.00 0.00 64.34 59.80 2k2e n VAL 67 Cb 0.39 -2.37 0.00 0.00 -1.47 0.00 0.00 33.84 30.38 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 7.36 0.00 -3.13 7.34 1.74 -1.26 -5.12 116.66 123.59 2k2e n ARG 68 Ca 0.49 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.63 2k2e n ARG 68 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 2k2e n ARG 68 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k2e s ASP 69 N 1.00 -0.34 -0.54 0.55 2.15 -1.26 -5.11 116.67 113.13 2k2e s ASP 69 Ca 0.00 0.03 -0.26 0.00 0.43 0.00 0.00 52.55 52.75 2k2e s ASP 69 Cb 0.00 1.18 -0.07 0.00 -0.30 0.00 0.00 42.92 43.73 2k2e s ASP 69 CO 0.00 -0.06 2.34 -2.84 -0.17 0.00 0.00 175.17 174.44 2k2e s PRO 70 N 2.92 2.11 0.03 4.34 0.02 -1.26 -4.75 135.00 138.40 2k2e s PRO 70 Ca 0.28 1.21 0.16 0.00 0.02 0.00 0.00 61.00 62.67 2k2e s PRO 70 Cb -0.01 -4.59 -0.16 0.00 0.02 0.00 0.00 34.50 29.76 2k2e s PRO 70 CO -0.22 -3.34 0.77 1.28 -0.33 0.00 0.00 177.00 175.15 2k2e n LEU 71 N 15.83 0.85 -4.39 -5.54 4.77 -1.26 -4.70 117.00 122.56 2k2e n LEU 71 Ca 0.36 0.38 -0.44 0.00 -0.03 0.00 0.00 56.01 56.28 2k2e n LEU 71 Cb 0.53 0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2k2e n LEU 71 CO 0.69 0.22 0.43 0.00 -1.33 0.00 0.00 177.39 177.40 2k2e s ALA 72 N -2.83 3.38 0.12 -1.18 0.00 -1.26 -5.04 121.76 114.96 2k2e s ALA 72 Ca -0.04 -2.13 -0.27 0.00 0.00 0.00 0.00 51.96 49.53 2k2e s ALA 72 Cb 0.08 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 2k2e s ALA 72 CO 0.82 -2.34 0.83 -0.06 0.00 0.00 0.00 175.76 175.00 2k2e s PHE 73 N 2.80 3.84 -2.00 0.00 0.08 -1.26 -4.93 117.98 116.50 2k2e s PHE 73 Ca 0.13 1.65 0.22 0.00 0.12 0.00 0.00 56.93 59.04 2k2e s PHE 73 Cb -0.23 -2.87 1.31 0.00 -0.57 0.00 0.00 43.02 40.66 2k2e s PHE 73 CO 0.07 0.36 1.84 1.28 -0.10 0.00 0.00 175.22 178.68 2k2e n LEU 74 N 2.24 0.02 0.04 -0.37 4.77 -1.26 -3.15 117.00 119.30 2k2e n LEU 74 Ca -0.03 -0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.06 2k2e n LEU 74 Cb 0.49 -0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.03 2k2e n LEU 74 CO 0.48 0.00 0.85 0.47 -1.33 0.00 0.00 177.39 177.86 2k2e n ASP 75 N -0.83 0.27 -4.68 -1.43 9.92 -1.26 -4.75 116.55 113.79 2k2e n ASP 75 Ca 0.16 0.55 -0.29 0.00 -0.53 0.00 0.00 54.79 54.68 2k2e n ASP 75 Cb 0.08 -0.61 -0.08 0.00 -0.64 0.00 0.00 41.12 39.87 2k2e n ASP 75 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2k2e s GLU 76 N -3.08 2.48 0.11 -1.24 2.02 -1.19 -5.07 118.70 112.73 2k2e s GLU 76 Ca 0.09 -0.94 -0.34 0.00 0.02 0.00 0.00 54.97 53.80 2k2e s GLU 76 Cb 0.13 -2.47 -0.14 0.00 0.10 0.00 0.00 34.13 31.75 2k2e s GLU 76 CO 0.42 0.51 1.60 -0.35 0.02 0.00 0.00 175.26 177.46 2k2e n PRO 77 N 0.33 2.04 -3.28 0.39 -0.04 -1.26 -4.97 135.00 128.20 2k2e n PRO 77 Ca -0.11 0.74 -0.35 0.00 -0.04 0.00 0.00 63.50 63.74 2k2e n PRO 77 Cb 0.53 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.43 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 1.37 4.02 0.00 0.54 2.12 -1.26 -5.09 118.70 120.40 2k2e s GLU 78 Ca 0.82 0.57 0.00 0.00 0.36 0.00 0.00 54.97 56.72 2k2e s GLU 78 Cb -0.71 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 30.85 2k2e s GLU 78 CO 0.41 0.40 0.00 0.00 -0.54 0.00 0.00 175.26 175.53 2k2e n ALA 79 N 0.53 0.00 -1.24 6.30 0.00 -1.26 -4.91 120.51 119.92 2k2e n ALA 79 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.05 2k2e n ALA 79 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 5.00 4.00 0.21 0.00 0.00 -1.26 -4.34 105.19 108.80 2k2e n GLY 80 Ca 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 2k2e n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 81 N 4.11 0.82 -0.09 4.61 0.00 -1.26 -4.85 120.51 123.85 2k2e n ALA 81 Ca 0.68 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.57 2k2e n ALA 81 Cb 0.23 0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 2k2e n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2e n GLY 82 N 1.85 -0.56 4.30 0.00 0.00 -1.26 -4.97 105.19 104.55 2k2e n GLY 82 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2k2e n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2e n ALA 83 N -3.07 0.00 -3.14 4.61 0.00 -1.26 -4.88 120.51 112.77 2k2e n ALA 83 Ca -0.39 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 2k2e n ALA 83 Cb 1.04 -0.05 -0.16 0.00 0.00 0.00 0.00 19.45 20.28 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 0.00 1.29 0.34 0.00 0.52 -1.26 -5.01 118.95 114.83 2k2e s ARG 84 Ca 0.00 -0.38 0.27 0.00 -0.52 0.00 0.00 55.73 55.10 2k2e s ARG 84 Cb 0.00 -1.15 1.03 0.00 0.52 0.00 0.00 34.95 35.35 2k2e s ARG 84 CO 0.00 0.11 1.79 -1.00 0.02 0.00 0.00 175.30 176.22 2k2e h PRO 85 N 6.54 0.00 -2.75 3.54 0.13 -2.05 -3.35 132.00 134.06 2k2e h PRO 85 Ca -0.33 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.19 2k2e h PRO 85 Cb 1.17 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.88 2k2e h PRO 85 CO 0.48 0.00 -0.58 0.00 -0.23 0.00 0.00 178.00 177.67 2k2e n ALA 86 N -1.88 3.67 -3.28 -0.56 0.00 -1.26 -4.94 120.51 112.25 2k2e n ALA 86 Ca 0.02 -4.62 -0.35 0.00 0.00 0.00 0.00 53.44 48.49 2k2e n ALA 86 Cb 0.30 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 2k2e n ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k2e n ASN 87 N 1.54 4.90 -4.91 0.00 3.02 -1.26 -5.06 115.26 113.49 2k2e n ASN 87 Ca 0.24 -3.39 -0.27 0.00 -0.03 0.00 0.00 54.58 51.12 2k2e n ASN 87 Cb 0.37 -0.96 -0.02 0.00 -0.61 0.00 0.00 39.78 38.56 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 -2.47 3.56 0.26 5.41 0.00 -1.26 -5.04 121.76 122.22 2k2e s ALA 88 Ca 0.35 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.40 2k2e s ALA 88 Cb 0.08 -2.37 -0.14 0.00 0.00 0.00 0.00 23.12 20.70 2k2e s ALA 88 CO 0.02 -0.01 1.21 -2.30 0.00 0.00 0.00 175.76 174.68 2k2e n PRO 89 N -1.56 1.68 -0.12 0.00 -0.02 -1.26 -4.91 135.00 128.81 2k2e n PRO 89 Ca -0.02 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2k2e n PRO 89 Cb 0.55 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 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 3.03 0.84 -3.62 -0.52 5.08 -1.73 -3.37 114.58 114.29 2k2e h GLU 90 Ca -0.43 -0.40 -0.24 0.00 -1.00 0.00 0.00 59.36 57.30 2k2e h GLU 90 Cb 1.31 -0.01 -0.29 0.00 0.50 0.00 0.00 28.75 30.26 2k2e h GLU 90 CO 0.67 1.03 -0.69 0.54 -1.00 0.00 0.00 179.01 179.56 2k2e s VAL 91 N -4.53 -0.01 -0.18 3.13 0.11 -1.02 -1.49 120.40 116.41 2k2e s VAL 91 Ca -0.12 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 2k2e s VAL 91 Cb 0.10 -0.06 0.03 0.00 -1.53 0.00 0.00 36.38 34.92 2k2e s VAL 91 CO 0.85 0.02 -0.16 -0.22 -3.33 0.00 0.00 175.10 172.26 2k2e s LEU 92 N 0.26 2.08 -0.29 2.54 2.96 0.70 -1.85 118.68 125.08 2k2e s LEU 92 Ca -0.02 -0.67 -0.13 0.00 -0.22 0.00 0.00 54.13 53.09 2k2e s LEU 92 Cb -0.03 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 2k2e s LEU 92 CO -0.01 -0.05 0.26 -0.76 -1.32 0.00 0.00 176.35 174.47 2k2e s LEU 93 N 1.36 4.12 -0.28 -0.68 1.43 0.59 -0.02 118.68 125.20 2k2e s LEU 93 Ca 0.03 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 2k2e s LEU 93 Cb -0.14 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2k2e s LEU 93 CO -0.11 -0.14 0.05 -0.69 0.23 0.00 0.00 176.35 175.69 2k2e s VAL 94 N 1.87 3.72 -0.44 -1.59 1.01 0.33 -0.07 120.40 125.23 2k2e s VAL 94 Ca 0.10 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 2k2e s VAL 94 Cb -0.16 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.36 2k2e s VAL 94 CO 0.11 0.11 0.33 -0.83 0.00 0.00 0.00 175.10 174.82 2k2e s GLY 95 N 1.46 2.01 0.19 4.51 0.00 1.00 -0.32 107.32 116.17 2k2e s GLY 95 Ca 0.02 -1.99 0.07 0.00 0.00 0.00 0.00 44.72 42.81 2k2e s GLY 95 CO 0.01 0.99 1.42 -0.91 0.00 0.00 0.00 173.10 174.61 2k2e h THR 96 N 5.79 1.55 0.00 0.90 1.35 -1.42 0.29 112.91 121.38 2k2e h THR 96 Ca -0.27 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 2k2e h THR 96 Cb 1.11 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 2k2e h THR 96 CO 0.81 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 177.47 2k2e n GLY 97 N 0.82 1.18 0.00 5.82 0.00 -1.25 -4.37 105.19 107.39 2k2e n GLY 97 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k2e n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2e n ARG 98 N 0.00 0.00 -4.25 1.61 1.74 -1.26 -4.76 116.66 109.75 2k2e n ARG 98 Ca 0.00 0.24 -0.18 0.00 -0.77 0.00 0.00 57.85 57.14 2k2e n ARG 98 Cb 0.00 -0.91 -0.15 0.00 -1.02 0.00 0.00 32.46 30.38 2k2e n ARG 98 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2k2e s ARG 99 N -0.99 0.66 -0.42 5.56 0.52 -1.26 -5.10 118.95 117.92 2k2e s ARG 99 Ca 0.00 -0.22 -0.29 0.00 -0.52 0.00 0.00 55.73 54.71 2k2e s ARG 99 Cb 0.00 -0.65 0.00 0.00 0.52 0.00 0.00 34.95 34.83 2k2e s ARG 99 CO 0.00 0.09 1.49 -1.14 0.02 0.00 0.00 175.30 175.76 2k2e s GLN 100 N 0.14 3.48 -0.44 3.54 0.74 -1.26 -4.80 119.66 121.05 2k2e s GLN 100 Ca -0.01 0.97 -0.28 0.00 0.05 0.00 0.00 55.36 56.08 2k2e s GLN 100 Cb -0.06 -4.07 -0.00 0.00 1.10 0.00 0.00 33.01 29.97 2k2e s GLN 100 CO -0.00 -1.68 1.57 -1.58 -0.55 0.00 0.00 175.29 173.05 2k2e s HIS 101 N 5.84 2.13 -0.38 1.67 5.65 -1.26 -4.95 115.29 123.99 2k2e s HIS 101 Ca 0.64 0.63 -0.28 0.00 0.25 0.00 0.00 55.06 56.30 2k2e s HIS 101 Cb -0.15 -4.25 -0.01 0.00 -1.18 0.00 0.00 32.58 26.98 2k2e s HIS 101 CO 0.32 -2.29 1.73 -0.51 -0.65 0.00 0.00 174.74 173.34 2k2e s LEU 102 N 6.34 3.50 0.38 8.88 1.43 -1.26 -4.86 118.68 133.09 2k2e s LEU 102 Ca 0.65 1.11 -0.27 0.00 -1.03 0.00 0.00 54.13 54.59 2k2e s LEU 102 Cb -0.15 -3.41 -0.10 0.00 0.03 0.00 0.00 46.19 42.56 2k2e s LEU 102 CO 0.30 -1.73 1.34 -0.76 0.23 0.00 0.00 176.35 175.73 2k2e s LEU 103 N 6.85 4.29 0.10 1.79 1.43 -1.26 -5.03 118.68 126.85 2k2e s LEU 103 Ca 0.75 2.74 0.04 0.00 -1.03 0.00 0.00 54.13 56.63 2k2e s LEU 103 Cb -0.20 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.20 2k2e s LEU 103 CO 0.32 -0.77 0.07 -0.83 0.23 0.00 0.00 176.35 175.37 2k2e s GLY 104 N -0.56 1.95 0.62 -3.19 0.00 -1.26 -5.00 107.32 99.88 2k2e s GLY 104 Ca 0.54 -1.07 0.41 0.00 0.00 0.00 0.00 44.72 44.60 2k2e s GLY 104 CO 0.53 -1.06 2.27 -2.55 0.00 0.00 0.00 173.10 172.29 2k2e h PRO 105 N 3.19 0.00 0.00 2.90 0.11 -1.96 -0.56 132.00 135.68 2k2e h PRO 105 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k2e h PRO 105 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k2e h PRO 105 CO 0.64 0.00 -1.08 0.39 -0.21 0.00 0.00 178.00 177.74 2k2e n GLU 106 N -2.98 0.28 0.05 1.05 1.02 -1.26 -2.38 120.64 116.43 2k2e n GLU 106 Ca -0.03 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.87 2k2e n GLU 106 Cb 0.08 -1.58 -0.15 0.00 -0.02 0.00 0.00 31.44 29.78 2k2e n GLU 106 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2k2e h GLN 107 N 0.00 0.35 -0.63 3.49 4.20 -1.52 -3.32 115.11 117.68 2k2e h GLN 107 Ca 0.00 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.11 2k2e h GLN 107 Cb 0.72 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2k2e h GLN 107 CO 0.00 1.29 0.00 0.28 -0.67 0.00 0.00 178.83 179.73 2k2e n VAL 108 N -3.65 1.33 -0.06 -0.54 0.31 -0.90 -4.26 118.33 110.56 2k2e n VAL 108 Ca -0.26 -0.93 -0.09 0.00 -0.01 0.00 0.00 64.34 63.05 2k2e n VAL 108 Cb 1.04 0.14 -0.03 0.00 -0.91 0.00 0.00 33.84 34.08 2k2e n VAL 108 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2k2e h ARG 109 N 3.44 -0.31 -0.24 5.55 2.43 -1.57 0.26 114.38 123.94 2k2e h ARG 109 Ca 0.00 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2k2e h ARG 109 Cb 1.14 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2k2e h ARG 109 CO 0.15 -0.21 -0.13 -1.00 -1.51 0.00 0.00 179.97 177.27 2k2e h PRO 110 N -0.32 0.40 -0.06 0.20 0.13 -1.87 -2.10 132.00 128.37 2k2e h PRO 110 Ca 0.13 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 65.08 2k2e h PRO 110 Cb 0.54 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2k2e h PRO 110 CO -0.45 0.53 -0.27 -0.07 -0.23 0.00 0.00 178.00 177.51 2k2e h LEU 111 N 0.37 0.34 -1.29 1.56 3.38 -1.62 -2.96 115.31 115.09 2k2e h LEU 111 Ca 0.07 -0.65 -0.04 0.00 0.09 0.00 0.00 57.88 57.34 2k2e h LEU 111 Cb 0.45 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2k2e h LEU 111 CO 0.03 0.94 -0.00 -0.07 0.09 0.00 0.00 178.44 179.42 2k2e h LEU 112 N -0.23 0.44 -1.36 1.67 3.38 -0.47 -0.38 115.31 118.35 2k2e h LEU 112 Ca -0.02 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2k2e h LEU 112 Cb 0.93 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2k2e h LEU 112 CO 0.06 0.51 -0.09 0.00 0.09 0.00 0.00 178.44 179.00 2k2e h ALA 113 N 1.55 1.47 0.00 1.53 0.00 -1.36 -2.17 119.26 120.28 2k2e h ALA 113 Ca 0.10 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2k2e h ALA 113 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k2e h ALA 113 CO 0.01 0.37 -0.65 0.52 0.00 0.00 0.00 179.25 179.50 2k2e h MET 114 N 0.30 0.00 0.00 0.00 2.86 -1.17 -3.47 114.93 113.44 2k2e h MET 114 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2k2e h MET 114 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2k2e h MET 114 CO 0.02 0.46 0.00 0.41 1.06 0.00 0.00 176.91 178.86 2k2e n GLY 115 N 1.25 0.94 3.59 8.32 0.00 -0.59 -4.88 105.19 113.82 2k2e n GLY 115 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2k2e n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k2e s VAL 116 N -2.00 3.63 -0.84 1.61 1.01 -0.26 -4.79 120.40 118.76 2k2e s VAL 116 Ca 0.00 0.60 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 2k2e s VAL 116 Cb 0.00 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.45 2k2e s VAL 116 CO 0.00 -0.70 1.36 -0.83 0.00 0.00 0.00 175.10 174.94 2k2e s GLY 117 N 5.52 1.00 -0.28 4.51 0.00 -0.55 -4.08 107.32 113.44 2k2e s GLY 117 Ca 0.68 -1.69 -0.21 0.00 0.00 0.00 0.00 44.72 43.51 2k2e s GLY 117 CO 0.30 2.69 0.66 0.14 0.00 0.00 0.00 173.10 176.89 2k2e s VAL 118 N 5.58 4.94 -0.37 1.40 1.01 -1.26 -0.22 120.40 131.48 2k2e s VAL 118 Ca 0.40 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 63.36 2k2e s VAL 118 Cb -0.05 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 32.39 2k2e s VAL 118 CO 0.06 -0.06 0.18 -1.61 0.00 0.00 0.00 175.10 173.67 2k2e s GLU 119 N 2.60 2.67 -0.54 2.72 0.41 0.97 -4.95 118.70 122.58 2k2e s GLU 119 Ca 0.27 -1.24 -0.23 0.00 -0.41 0.00 0.00 54.97 53.36 2k2e s GLU 119 Cb -0.15 -3.65 0.04 0.00 -1.78 0.00 0.00 34.13 28.60 2k2e s GLU 119 CO 0.10 -0.77 0.88 0.00 -0.49 0.00 0.00 175.26 174.99 2k2e s ALA 120 N 1.46 3.20 0.06 5.21 0.00 -1.26 -0.51 121.76 129.92 2k2e s ALA 120 Ca 0.01 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.68 2k2e s ALA 120 Cb -0.20 -3.66 -0.00 0.00 0.00 0.00 0.00 23.12 19.25 2k2e s ALA 120 CO 0.04 -2.30 0.04 -1.33 0.00 0.00 0.00 175.76 172.21 2k2e n MET 121 N 7.21 0.38 -1.19 0.00 2.81 0.57 -4.90 117.12 122.01 2k2e n MET 121 Ca 0.01 -0.59 -0.32 0.00 -1.81 0.00 0.00 57.70 54.99 2k2e n MET 121 Cb 0.47 0.42 0.11 0.00 -0.71 0.00 0.00 33.22 33.50 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 4.14 0.18 7.83 1.11 -1.26 -1.28 116.67 125.96 2k2e s ASP 122 Ca 0.06 1.98 -0.12 0.00 0.18 0.00 0.00 52.55 54.65 2k2e s ASP 122 Cb 0.00 -2.54 0.08 0.00 1.07 0.00 0.00 42.92 41.53 2k2e s ASP 122 CO 0.04 -2.29 1.74 0.71 1.18 0.00 0.00 175.17 176.55 2k2e h THR 123 N -1.12 1.23 -0.45 -1.27 1.35 -1.86 0.12 112.91 110.92 2k2e h THR 123 Ca -0.44 -0.70 -0.07 0.00 -0.55 0.00 0.00 66.41 64.64 2k2e h THR 123 Cb 1.25 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 2k2e h THR 123 CO 0.49 0.28 -0.00 -0.61 -0.25 0.00 0.00 175.52 175.42 2k2e h GLN 124 N 0.86 0.79 -0.45 4.72 4.15 -1.94 -0.81 115.11 122.42 2k2e h GLN 124 Ca 0.21 -0.25 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2k2e h GLN 124 Cb 0.19 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2k2e h GLN 124 CO -0.02 0.86 0.16 0.00 -1.93 0.00 0.00 178.83 177.90 2k2e h ALA 125 N 0.91 0.59 -0.64 3.38 0.00 -1.87 -1.80 119.26 119.83 2k2e h ALA 125 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2k2e h ALA 125 Cb 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2k2e h ALA 125 CO 0.02 0.22 0.14 0.00 0.00 0.00 0.00 179.25 179.64 2k2e h ALA 126 N 1.01 0.85 -0.47 0.00 0.00 -0.68 -1.79 119.26 118.18 2k2e h ALA 126 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k2e h ALA 126 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k2e h ALA 126 CO -0.01 0.57 0.31 0.00 0.00 0.00 0.00 179.25 180.12 2k2e h ALA 127 N 1.05 0.59 -0.14 0.00 0.00 -0.89 0.28 119.26 120.15 2k2e h ALA 127 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2k2e h ALA 127 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k2e h ALA 127 CO 0.00 0.04 0.06 0.00 0.00 0.00 0.00 179.25 179.36 2k2e h ARG 128 N 0.63 0.20 -0.33 0.00 3.08 -1.18 -2.13 114.38 114.65 2k2e h ARG 128 Ca 0.17 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2k2e h ARG 128 Cb -0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2k2e h ARG 128 CO -0.04 0.27 0.05 1.15 -1.07 0.00 0.00 179.97 180.33 2k2e h THR 129 N 0.08 1.17 -0.44 2.04 2.02 -1.06 -2.11 112.91 114.61 2k2e h THR 129 Ca 0.05 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 2k2e h THR 129 Cb 0.14 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2k2e h THR 129 CO -0.00 0.22 0.20 0.22 0.37 0.00 0.00 175.52 176.53 2k2e h TYR 130 N 0.48 0.65 0.00 3.16 3.20 -0.14 0.84 116.97 125.16 2k2e h TYR 130 Ca 0.11 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 2k2e h TYR 130 Cb 0.23 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2k2e h TYR 130 CO 0.01 0.54 -0.24 -0.91 -1.64 0.00 0.00 178.16 175.92 2k2e h ASN 131 N 0.57 0.00 0.03 -2.11 2.35 -0.89 -0.87 115.58 114.65 2k2e h ASN 131 Ca 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2k2e h ASN 131 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2k2e h ASN 131 CO -0.02 0.24 -0.01 0.40 -1.65 0.00 0.00 177.43 176.39 2k2e h ILE 132 N 0.00 1.38 -0.26 2.81 2.04 -0.72 -3.06 117.51 119.70 2k2e h ILE 132 Ca -0.00 -1.37 -0.10 0.00 1.00 0.00 0.00 64.86 64.39 2k2e h ILE 132 Cb 0.48 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2k2e h ILE 132 CO 0.03 0.34 -0.26 -0.07 0.00 0.00 0.00 178.15 178.20 2k2e h LEU 133 N -0.65 0.52 -1.22 1.44 3.38 -0.61 -1.04 115.31 117.13 2k2e h LEU 133 Ca -0.00 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2k2e h LEU 133 Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2k2e h LEU 133 CO 0.01 0.77 -0.39 0.00 0.09 0.00 0.00 178.44 178.92 2k2e h MET 134 N 0.45 0.00 0.00 1.13 -0.00 -1.27 0.15 114.93 115.39 2k2e h MET 134 Ca 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.63 2k2e h MET 134 Cb 0.69 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.27 2k2e h MET 134 CO 0.05 0.39 -0.66 0.00 -0.00 0.00 0.00 176.91 176.69 2k2e h ALA 135 N 1.61 0.58 -0.02 -3.00 0.00 -1.28 -3.21 119.26 113.94 2k2e h ALA 135 Ca -0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 54.91 54.05 2k2e h ALA 135 Cb 0.69 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.40 2k2e h ALA 135 CO 0.05 0.82 -1.01 1.49 0.00 0.00 0.00 179.25 180.61 2k2e h GLU 136 N 0.00 0.71 0.00 0.00 4.81 -0.77 -3.48 114.58 115.85 2k2e h GLU 136 Ca -0.01 -0.73 0.00 0.00 -0.13 0.00 0.00 59.36 58.49 2k2e h GLU 136 Cb 1.49 0.20 0.00 0.00 0.63 0.00 0.00 28.75 31.08 2k2e h GLU 136 CO 0.09 1.31 0.00 0.41 -0.73 0.00 0.00 179.01 180.09 2k2e n GLY 137 N 1.03 1.92 3.89 1.92 0.00 0.00 -5.10 105.19 108.85 2k2e n GLY 137 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.87 3.35 -0.63 1.61 3.52 -1.08 -5.03 118.95 119.82 2k2e s ARG 138 Ca 0.00 -0.43 -0.27 0.00 -0.13 0.00 0.00 55.73 54.91 2k2e s ARG 138 Cb 0.00 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 2k2e s ARG 138 CO 0.00 0.63 1.79 1.03 -0.81 0.00 0.00 175.30 177.94 2k2e s ARG 139 N -2.23 2.70 -0.01 5.12 1.81 -1.26 -4.68 118.95 120.39 2k2e s ARG 139 Ca 0.31 0.48 0.08 0.00 -1.72 0.00 0.00 55.73 54.87 2k2e s ARG 139 Cb -0.13 -4.38 -0.02 0.00 -0.45 0.00 0.00 34.95 29.98 2k2e s ARG 139 CO 0.23 -2.67 -0.24 0.54 -0.68 0.00 0.00 175.30 172.48 2k2e s VAL 140 N 8.67 1.90 0.02 3.52 0.11 -1.26 -2.05 120.40 131.31 2k2e s VAL 140 Ca 0.63 -1.06 0.08 0.00 -2.93 0.00 0.00 61.98 58.70 2k2e s VAL 140 Cb -0.12 -1.59 -0.02 0.00 -1.53 0.00 0.00 36.38 33.12 2k2e s VAL 140 CO 0.20 0.51 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.54 2k2e s VAL 141 N -0.59 1.93 -0.02 2.04 1.01 -0.77 -4.23 120.40 119.77 2k2e s VAL 141 Ca 0.09 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 60.95 2k2e s VAL 141 Cb -0.09 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2k2e s VAL 141 CO -0.01 0.40 -0.25 0.54 0.00 0.00 0.00 175.10 175.79 2k2e s VAL 142 N -0.70 1.97 -0.18 2.92 0.11 -0.50 -0.30 120.40 123.72 2k2e s VAL 142 Ca 0.10 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 2k2e s VAL 142 Cb -0.09 -1.63 0.04 0.00 -1.53 0.00 0.00 36.38 33.16 2k2e s VAL 142 CO 0.01 0.56 -0.08 0.00 -3.33 0.00 0.00 175.10 172.25 2k2e s ALA 143 N -0.54 1.75 -0.08 1.54 0.00 0.89 -1.29 121.76 124.05 2k2e s ALA 143 Ca 0.08 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2k2e s ALA 143 Cb -0.10 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 2k2e s ALA 143 CO -0.01 -0.79 -0.18 -0.51 0.00 0.00 0.00 175.76 174.28 2k2e s LEU 144 N 1.51 2.49 -0.46 0.00 1.43 -0.13 -0.00 118.68 123.53 2k2e s LEU 144 Ca -0.00 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2k2e s LEU 144 Cb -0.16 -1.51 0.12 0.00 0.03 0.00 0.00 46.19 44.68 2k2e s LEU 144 CO -0.08 0.26 0.30 -0.76 0.23 0.00 0.00 176.35 176.30 2k2e s LEU 145 N -0.21 5.54 0.21 1.79 1.43 0.10 -2.34 118.68 125.19 2k2e s LEU 145 Ca -0.01 -1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 50.81 2k2e s LEU 145 Cb -0.13 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 2k2e s LEU 145 CO 0.03 -0.63 1.23 -2.16 0.23 0.00 0.00 176.35 175.05 2k2e s PRO 146 N 1.23 4.46 0.43 1.29 0.04 -1.26 -3.95 135.00 137.24 2k2e s PRO 146 Ca 0.07 1.95 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 2k2e s PRO 146 Cb -0.25 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2k2e s PRO 146 CO -0.02 -0.12 0.73 0.34 0.04 0.00 0.00 177.00 177.98 2k2e s ASP 147 N 0.05 6.34 0.00 6.66 2.15 -1.04 -4.87 116.67 125.97 2k2e s ASP 147 Ca 0.53 0.90 0.00 0.00 0.43 0.00 0.00 52.55 54.41 2k2e s ASP 147 Cb -0.34 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2k2e s ASP 147 CO 0.39 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 2k2e n GLY 148 N -1.87 0.00 3.63 2.66 0.00 -1.26 -4.53 105.19 103.82 2k2e n GLY 148 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 6.14 -0.89 1.61 1.11 -1.26 -4.93 116.67 118.46 2k2e s ASP 149 Ca 0.00 1.94 -0.24 0.00 0.18 0.00 0.00 52.55 54.43 2k2e s ASP 149 Cb 0.00 -2.53 0.05 0.00 1.07 0.00 0.00 42.92 41.51 2k2e s ASP 149 CO 0.00 -1.40 1.34 -0.94 1.18 0.00 0.00 175.17 175.35 2k2e s SER 150 N 5.38 6.36 -0.35 0.27 1.04 -1.26 -4.97 113.70 120.17 2k2e s SER 150 Ca 0.83 -1.06 -0.29 0.00 0.48 0.00 0.00 55.95 55.91 2k2e s SER 150 Cb -0.31 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.26 2k2e s SER 150 CO 0.34 -1.61 1.35 -0.22 0.98 0.00 0.00 173.24 174.07 2k2e s LEU 151 N 5.11 3.76 0.69 2.42 2.96 -1.26 -5.00 118.68 127.36 2k2e s LEU 151 Ca 0.40 1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 55.22 2k2e s LEU 151 Cb -0.04 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.12 2k2e s LEU 151 CO 0.01 -1.23 1.11 -1.61 -1.32 0.00 0.00 176.35 173.31 2k2e s GLU 152 N 4.49 2.65 -0.84 1.98 2.02 -1.26 -4.98 118.70 122.75 2k2e s GLU 152 Ca 0.58 1.33 -0.11 0.00 0.02 0.00 0.00 54.97 56.80 2k2e s GLU 152 Cb -0.15 -1.94 0.22 0.00 0.10 0.00 0.00 34.13 32.36 2k2e s GLU 152 CO 0.27 -1.36 0.77 -1.01 0.02 0.00 0.00 175.26 173.95 2k2e s HIS 153 N -2.49 3.79 0.25 1.61 3.76 -1.26 -5.05 115.29 115.90 2k2e s HIS 153 Ca 0.65 -2.25 -0.19 0.00 -0.15 0.00 0.00 55.06 53.12 2k2e s HIS 153 Cb -0.20 -3.71 -0.08 0.00 1.11 0.00 0.00 32.58 29.70 2k2e s HIS 153 CO 0.45 -0.95 0.73 -1.58 -0.85 0.00 0.00 174.74 172.55 2k2e s HIS 154 N -0.16 3.58 -0.09 1.40 2.46 -1.26 -5.07 115.29 116.16 2k2e s HIS 154 Ca 0.20 1.36 -0.04 0.00 0.47 0.00 0.00 55.06 57.05 2k2e s HIS 154 Cb -0.11 -2.61 -0.04 0.00 -0.13 0.00 0.00 32.58 29.70 2k2e s HIS 154 CO -0.08 0.28 0.05 -1.01 -2.47 0.00 0.00 174.74 171.51 2k2e s HIS 155 N -1.63 3.32 -1.64 3.88 3.76 -1.26 -4.98 115.29 116.74 2k2e s HIS 155 Ca 0.46 0.31 0.08 0.00 -0.15 0.00 0.00 55.06 55.76 2k2e s HIS 155 Cb -0.15 -1.84 0.27 0.00 1.11 0.00 0.00 32.58 31.97 2k2e s HIS 155 CO 0.20 0.57 1.15 0.72 -0.85 0.00 0.00 174.74 176.53 2k2e n HIS 156 N 2.05 0.50 0.23 1.40 8.25 -1.26 -3.09 115.22 123.30 2k2e n HIS 156 Ca -0.19 -0.22 0.12 0.00 -0.26 0.00 0.00 57.72 57.17 2k2e n HIS 156 Cb 0.54 -0.07 0.36 0.00 1.12 0.00 0.00 29.99 31.94 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 1.63 0.00 0.00 4.41 -0.00 -2.04 -3.59 115.15 115.57 2k2e h HIS 157 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2k2e h HIS 157 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 2k2e h HIS 157 CO 0.26 0.12 0.00 0.72 -0.00 0.00 0.00 177.93 179.02