#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjm s VAL 3 N 0.00 0.42 -0.22 -3.33 -7.23 -1.26 -4.46 120.40 104.31 1bjm s VAL 3 Ca 0.00 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 1bjm s VAL 3 Cb 0.00 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 1bjm s VAL 3 CO 0.00 -0.32 0.07 -0.76 -0.31 0.00 0.00 175.10 173.78 1bjm s LEU 4 N -3.17 3.60 -0.08 1.32 1.02 -1.07 -4.90 118.68 115.39 1bjm s LEU 4 Ca 0.29 -0.09 -0.24 0.00 0.02 0.00 0.00 54.13 54.11 1bjm s LEU 4 Cb 0.07 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1bjm s LEU 4 CO 0.06 0.05 0.71 -0.89 0.02 0.00 0.00 176.35 176.31 1bjm s THR 5 N 1.11 5.03 0.03 5.49 2.01 -1.02 -0.43 115.64 127.86 1bjm s THR 5 Ca 0.04 1.45 0.05 0.00 0.31 0.00 0.00 61.69 63.55 1bjm s THR 5 Cb -0.14 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1bjm s THR 5 CO 0.03 0.22 -0.15 -1.10 -0.69 0.00 0.00 174.62 172.93 1bjm s GLN 6 N 1.02 1.06 0.48 4.92 -0.21 -1.26 -1.05 119.66 124.61 1bjm s GLN 6 Ca 0.37 -0.75 -0.23 0.00 0.02 0.00 0.00 55.36 54.77 1bjm s GLN 6 Cb -0.17 -1.08 -0.07 0.00 1.00 0.00 0.00 33.01 32.69 1bjm s GLN 6 CO 0.17 0.27 1.25 -1.25 -2.12 0.00 0.00 175.29 173.61 1bjm s PRO 7 N -1.00 3.60 0.19 2.91 0.04 -1.26 -4.76 135.00 134.73 1bjm s PRO 7 Ca 0.03 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 1bjm s PRO 7 Cb -0.08 -2.42 0.18 0.00 0.04 0.00 0.00 34.50 32.22 1bjm s PRO 7 CO 0.01 -0.74 1.78 -1.35 0.04 0.00 0.00 177.00 176.74 1bjm h PRO 8 N 1.98 0.49 -4.46 0.56 0.11 -1.96 -3.36 132.00 125.36 1bjm h PRO 8 Ca -0.50 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.39 1bjm h PRO 8 Cb 1.26 -0.11 -0.15 0.00 0.11 0.00 0.00 31.00 32.11 1bjm h PRO 8 CO 0.60 0.33 -0.64 -1.54 -0.21 0.00 0.00 178.00 176.53 1bjm s SER 9 N -5.49 0.28 0.05 -2.05 1.04 -1.26 -1.48 113.70 104.80 1bjm s SER 9 Ca -0.13 -1.24 0.01 0.00 0.48 0.00 0.00 55.95 55.07 1bjm s SER 9 Cb 0.15 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1bjm s SER 9 CO 0.74 -0.75 -0.06 0.00 0.98 0.00 0.00 173.24 174.15 1bjm s ALA 10 N -4.07 0.60 -0.08 5.32 0.00 -0.03 -4.87 121.76 118.63 1bjm s ALA 10 Ca 0.27 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1bjm s ALA 10 Cb 0.07 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.36 1bjm s ALA 10 CO 0.04 -0.15 0.17 0.45 0.00 0.00 0.00 175.76 176.27 1bjm s SER 11 N -2.12 0.01 -0.02 0.00 0.15 -1.26 0.48 113.70 110.94 1bjm s SER 11 Ca -0.03 0.35 -0.28 0.00 0.70 0.00 0.00 55.95 56.69 1bjm s SER 11 Cb -0.04 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.59 1bjm s SER 11 CO -0.03 -0.17 0.62 -0.83 1.20 0.00 0.00 173.24 174.04 1bjm s GLY 12 N 1.39 -0.52 0.24 9.45 0.00 -0.33 -4.96 107.32 112.59 1bjm s GLY 12 Ca -0.07 1.07 -0.14 0.00 0.00 0.00 0.00 44.72 45.58 1bjm s GLY 12 CO -0.06 0.74 0.64 -0.51 0.00 0.00 0.00 173.10 173.91 1bjm s THR 13 N -1.55 4.76 0.53 0.90 -4.23 -1.26 -1.26 115.64 113.53 1bjm s THR 13 Ca -0.10 0.87 -0.21 0.00 -1.18 0.00 0.00 61.69 61.08 1bjm s THR 13 Cb -0.01 -3.69 -0.07 0.00 1.34 0.00 0.00 72.50 70.07 1bjm s THR 13 CO 0.06 0.03 0.94 -2.65 -0.54 0.00 0.00 174.62 172.46 1bjm n PRO 14 N 0.20 1.06 0.00 3.99 -0.02 -1.26 -0.87 135.00 138.09 1bjm n PRO 14 Ca -0.01 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1bjm n PRO 14 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1bjm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bjm n GLY 15 N 1.29 2.47 1.34 -1.23 0.00 0.67 -4.90 105.19 104.83 1bjm n GLY 15 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1bjm n GLY 15 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bjm n GLN 16 N -1.88 -1.09 -3.69 1.61 7.27 -0.05 -3.72 117.38 115.82 1bjm n GLN 16 Ca 0.00 -0.70 -0.18 0.00 0.07 0.00 0.00 57.00 56.20 1bjm n GLN 16 Cb 0.00 -0.54 -0.17 0.00 2.41 0.00 0.00 30.24 31.94 1bjm n GLN 16 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1bjm s ARG 17 N -3.99 -0.03 -0.03 3.69 1.70 -1.26 -0.12 118.95 118.91 1bjm s ARG 17 Ca 0.27 0.40 -0.01 0.00 -0.47 0.00 0.00 55.73 55.92 1bjm s ARG 17 Cb -0.02 -0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 33.95 1bjm s ARG 17 CO 0.20 -0.29 0.04 0.08 -1.08 0.00 0.00 175.30 174.25 1bjm s VAL 18 N 1.95 4.48 -0.13 4.99 1.01 0.02 -4.92 120.40 127.80 1bjm s VAL 18 Ca 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1bjm s VAL 18 Cb -0.12 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1bjm s VAL 18 CO -0.04 0.45 -0.15 -0.89 0.00 0.00 0.00 175.10 174.47 1bjm s THR 19 N -1.06 2.84 -0.21 3.92 2.01 -1.26 0.49 115.64 122.37 1bjm s THR 19 Ca 0.18 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 1bjm s THR 19 Cb -0.12 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1bjm s THR 19 CO 0.09 0.53 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.87 1bjm s ILE 20 N 0.41 3.40 0.01 1.82 1.01 0.31 -4.96 121.20 123.20 1bjm s ILE 20 Ca -0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 1bjm s ILE 20 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 1bjm s ILE 20 CO 0.06 0.43 0.17 -0.55 0.00 0.00 0.00 174.94 175.04 1bjm s SER 21 N 1.33 6.22 -0.06 3.58 0.15 -1.26 0.47 113.70 124.13 1bjm s SER 21 Ca 0.04 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.96 1bjm s SER 21 Cb -0.14 -1.91 0.03 0.00 -1.71 0.00 0.00 66.02 62.29 1bjm s SER 21 CO -0.02 0.24 0.01 0.00 1.20 0.00 0.00 173.24 174.67 1bjm s SER 23 N 1.86 4.70 0.00 0.00 0.01 -0.22 -0.23 113.70 119.82 1bjm s SER 23 Ca 0.03 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.95 1bjm s SER 23 Cb -0.12 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.11 1bjm s SER 23 CO -0.04 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1bjm n GLY 24 N 0.36 4.09 3.29 3.44 0.00 -0.13 -2.44 105.19 113.80 1bjm n GLY 24 Ca -0.11 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1bjm n GLY 24 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bjm n SER 25 N 0.00 2.94 0.19 1.61 2.88 -1.26 -4.89 113.62 115.09 1bjm n SER 25 Ca 0.00 -3.03 0.13 0.00 -1.33 0.00 0.00 58.87 54.64 1bjm n SER 25 Cb 0.00 0.43 0.32 0.00 -0.75 0.00 0.00 64.21 64.20 1bjm n SER 25 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1bjm h SER 26 N 1.18 0.00 0.26 -3.46 4.64 -1.94 -0.61 113.55 113.62 1bjm h SER 26 Ca -0.37 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.70 1bjm h SER 26 Cb 1.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1bjm h SER 26 CO 0.61 0.00 -1.04 0.28 -0.87 0.00 0.00 176.83 175.81 1bjm h SER 27 N 0.00 0.66 0.00 4.97 0.02 -1.93 0.93 113.55 118.20 1bjm h SER 27 Ca 0.00 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1bjm h SER 27 Cb 0.83 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1bjm h SER 27 CO 0.00 1.37 0.00 -0.46 -1.14 0.00 0.00 176.83 176.60 1bjm n ASN 28 N -3.76 0.00 0.27 3.07 0.23 -1.22 -2.72 115.26 111.13 1bjm n ASN 28 Ca -0.09 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.79 1bjm n ASN 28 Cb 0.89 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.50 1bjm n ASN 28 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1bjm h ILE 29 N 0.00 0.11 -0.64 1.53 2.04 -1.71 0.16 117.51 119.00 1bjm h ILE 29 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1bjm h ILE 29 Cb 0.00 0.11 -0.12 0.00 -0.74 0.00 0.00 36.82 36.07 1bjm h ILE 29 CO 0.00 0.00 -0.18 0.61 0.00 0.00 0.00 178.15 178.58 1bjm n GLY 30 N -1.53 -1.12 0.09 5.37 0.00 -0.25 -2.91 105.19 104.84 1bjm n GLY 30 Ca -0.11 0.69 -0.12 0.00 0.00 0.00 0.00 46.02 46.48 1bjm n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bjm n GLU 31 N -5.03 0.63 -3.50 1.61 4.71 0.32 -4.76 120.64 114.63 1bjm n GLU 31 Ca 0.10 0.09 -0.26 0.00 -0.01 0.00 0.00 57.16 57.08 1bjm n GLU 31 Cb 0.31 -1.38 -0.02 0.00 -1.01 0.00 0.00 31.44 29.34 1bjm n GLU 31 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1bjm s ASN 32 N -5.70 6.36 0.34 1.62 0.01 0.56 -5.07 114.94 113.06 1bjm s ASN 32 Ca -0.23 0.48 -0.28 0.00 -0.71 0.00 0.00 52.86 52.12 1bjm s ASN 32 Cb 0.06 -2.04 -0.09 0.00 0.41 0.00 0.00 41.25 39.58 1bjm s ASN 32 CO 0.46 -0.18 1.21 -0.44 -1.51 0.00 0.00 177.10 176.64 1bjm s SER 33 N -3.55 6.79 0.21 -1.22 0.01 -1.26 -4.33 113.70 110.35 1bjm s SER 33 Ca 0.40 2.48 -0.03 0.00 1.31 0.00 0.00 55.95 60.11 1bjm s SER 33 Cb -0.10 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 1bjm s SER 33 CO 0.32 -0.50 0.43 -0.69 0.41 0.00 0.00 173.24 173.22 1bjm s VAL 34 N -1.24 5.14 -0.00 3.43 1.01 -1.26 -4.43 120.40 123.05 1bjm s VAL 34 Ca 0.51 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1bjm s VAL 34 Cb -0.35 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1bjm s VAL 34 CO 0.45 -0.16 -0.07 0.42 0.00 0.00 0.00 175.10 175.74 1bjm s THR 35 N -1.88 0.54 -0.02 3.92 -4.23 0.17 -1.80 115.64 112.34 1bjm s THR 35 Ca 0.41 -0.30 0.07 0.00 -1.18 0.00 0.00 61.69 60.69 1bjm s THR 35 Cb -0.11 -0.45 -0.02 0.00 1.34 0.00 0.00 72.50 73.26 1bjm s THR 35 CO 0.28 0.14 -0.24 0.26 -0.54 0.00 0.00 174.62 174.52 1bjm s TRP 36 N -0.18 2.21 0.12 3.99 0.52 -1.15 -0.34 118.94 124.11 1bjm s TRP 36 Ca 0.02 -0.45 0.07 0.00 0.02 0.00 0.00 56.10 55.76 1bjm s TRP 36 Cb -0.03 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.83 1bjm s TRP 36 CO -0.00 -0.06 -0.17 0.71 0.02 0.00 0.00 176.95 177.44 1bjm s TYR 37 N -0.51 1.61 -0.06 -1.98 1.51 0.29 -1.07 117.35 117.13 1bjm s TYR 37 Ca 0.08 -0.48 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1bjm s TYR 37 Cb -0.10 -0.85 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1bjm s TYR 37 CO -0.00 0.20 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.33 1bjm s GLN 38 N -2.36 2.66 -0.11 -0.62 0.74 0.14 -2.36 119.66 117.75 1bjm s GLN 38 Ca 0.09 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.75 1bjm s GLN 38 Cb -0.07 -2.36 0.02 0.00 1.10 0.00 0.00 33.01 31.70 1bjm s GLN 38 CO 0.04 0.49 -0.10 -1.58 -0.55 0.00 0.00 175.29 173.59 1bjm s HIS 39 N -0.39 1.63 0.10 1.67 2.46 0.17 0.32 115.29 121.25 1bjm s HIS 39 Ca 0.04 -0.79 -0.09 0.00 0.47 0.00 0.00 55.06 54.70 1bjm s HIS 39 Cb -0.12 -1.27 -0.06 0.00 -0.13 0.00 0.00 32.58 31.00 1bjm s HIS 39 CO 0.02 -0.48 0.40 -0.51 -2.47 0.00 0.00 174.74 171.70 1bjm s LEU 40 N 1.35 4.32 -0.75 8.88 1.02 -1.26 -3.18 118.68 129.07 1bjm s LEU 40 Ca -0.01 0.75 -0.25 0.00 0.02 0.00 0.00 54.13 54.64 1bjm s LEU 40 Cb -0.14 -3.10 0.04 0.00 0.02 0.00 0.00 46.19 43.02 1bjm s LEU 40 CO -0.05 0.13 1.21 -0.44 0.02 0.00 0.00 176.35 177.22 1bjm s SER 41 N -1.94 6.20 0.00 2.29 0.01 -1.26 -3.45 113.70 115.54 1bjm s SER 41 Ca 0.36 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1bjm s SER 41 Cb -0.13 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1bjm s SER 41 CO 0.20 -1.70 0.00 0.61 0.41 0.00 0.00 173.24 172.76 1bjm n GLY 42 N 5.48 0.94 0.02 3.44 0.00 -1.26 -5.03 105.19 108.78 1bjm n GLY 42 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1bjm n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bjm n THR 43 N 0.00 0.21 0.00 2.61 -2.24 -1.22 -5.12 114.28 108.52 1bjm n THR 43 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1bjm n THR 43 Cb 0.00 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1bjm n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bjm n ALA 44 N -2.41 0.00 -1.53 6.98 0.00 -1.26 -5.03 120.51 117.26 1bjm n ALA 44 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.93 1bjm n ALA 44 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 1bjm n ALA 44 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bjm n PRO 45 N 1.48 0.95 -4.64 0.00 -0.02 -1.26 -4.75 135.00 126.76 1bjm n PRO 45 Ca 0.00 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 1bjm n PRO 45 Cb 0.00 -1.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 1bjm n PRO 45 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1bjm s LYS 46 N -1.46 3.45 0.22 -0.52 2.20 0.15 -4.92 119.74 118.87 1bjm s LYS 46 Ca 0.61 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 1bjm s LYS 46 Cb -0.73 -2.73 -0.10 0.00 -1.51 0.00 0.00 37.83 32.77 1bjm s LYS 46 CO 0.59 0.25 1.41 -1.17 -0.36 0.00 0.00 175.35 176.07 1bjm s LEU 47 N 0.29 4.39 -0.10 5.43 0.20 -1.26 0.27 118.68 127.91 1bjm s LEU 47 Ca -0.07 2.57 -0.05 0.00 0.69 0.00 0.00 54.13 57.27 1bjm s LEU 47 Cb -0.15 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 41.95 1bjm s LEU 47 CO 0.04 -0.66 -0.12 0.18 -0.29 0.00 0.00 176.35 175.50 1bjm n LEU 48 N 2.61 0.75 -4.24 -0.68 4.32 -0.23 -4.78 117.00 114.75 1bjm n LEU 48 Ca 0.07 0.11 -0.25 0.00 -0.02 0.00 0.00 56.01 55.92 1bjm n LEU 48 Cb 0.41 -0.29 -0.14 0.00 -1.62 0.00 0.00 43.42 41.78 1bjm n LEU 48 CO 0.60 0.21 -0.52 -0.63 -1.22 0.00 0.00 177.39 175.83 1bjm s ILE 49 N -2.18 1.62 0.20 -0.08 -1.09 -1.15 -1.77 121.20 116.76 1bjm s ILE 49 Ca -0.14 -1.15 -0.00 0.00 -2.23 0.00 0.00 60.65 57.13 1bjm s ILE 49 Cb 0.05 -1.40 -0.04 0.00 -1.58 0.00 0.00 42.46 39.49 1bjm s ILE 49 CO 0.17 0.22 0.11 -0.72 -1.23 0.00 0.00 174.94 173.49 1bjm s TYR 50 N -0.77 1.21 -1.34 3.97 1.13 0.33 -2.93 117.35 118.95 1bjm s TYR 50 Ca 0.07 -1.32 -0.14 0.00 -1.41 0.00 0.00 57.07 54.27 1bjm s TYR 50 Cb -0.09 -0.62 0.02 0.00 -1.10 0.00 0.00 41.96 40.17 1bjm s TYR 50 CO 0.01 -0.56 0.27 0.39 -2.51 0.00 0.00 175.55 173.16 1bjm n GLU 51 N -0.29 -0.64 0.00 -3.49 -0.58 -1.20 0.22 120.64 114.66 1bjm n GLU 51 Ca 0.01 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1bjm n GLU 51 Cb 0.66 -2.93 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 1bjm n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bjm n ASP 52 N -2.42 0.00 -0.01 1.62 8.00 -0.74 -3.95 116.55 119.04 1bjm n ASP 52 Ca -0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1bjm n ASP 52 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1bjm n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bjm n ASN 53 N 1.84 0.65 -4.78 -2.24 2.04 -1.07 -3.59 115.26 108.11 1bjm n ASN 53 Ca 0.00 -1.36 -0.39 0.00 -0.44 0.00 0.00 54.58 52.39 1bjm n ASN 53 Cb 0.00 -0.01 -0.06 0.00 -2.53 0.00 0.00 39.78 37.18 1bjm n ASN 53 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1bjm s SER 54 N -0.37 7.36 -0.09 0.53 0.01 0.13 -4.75 113.70 116.53 1bjm s SER 54 Ca 0.00 1.63 -0.09 0.00 1.31 0.00 0.00 55.95 58.80 1bjm s SER 54 Cb 0.00 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1bjm s SER 54 CO 0.00 0.20 0.20 -0.13 0.41 0.00 0.00 173.24 173.92 1bjm s ARG 55 N -1.22 3.58 0.41 12.44 0.52 -1.26 0.12 118.95 133.54 1bjm s ARG 55 Ca 0.36 -0.00 -0.14 0.00 -0.52 0.00 0.00 55.73 55.43 1bjm s ARG 55 Cb -0.23 -3.20 -0.08 0.00 0.52 0.00 0.00 34.95 31.96 1bjm s ARG 55 CO 0.26 0.74 0.83 0.00 0.02 0.00 0.00 175.30 177.15 1bjm s ALA 56 N -1.00 3.24 0.86 2.13 0.00 -0.73 -4.90 121.76 121.38 1bjm s ALA 56 Ca 0.17 0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 1bjm s ALA 56 Cb -0.13 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1bjm s ALA 56 CO 0.06 0.05 0.44 0.45 0.00 0.00 0.00 175.76 176.76 1bjm n SER 57 N -1.04 -1.78 0.00 0.00 2.88 -1.26 -0.82 113.62 111.60 1bjm n SER 57 Ca 0.04 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1bjm n SER 57 Cb 0.54 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1bjm n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bjm n GLY 58 N 1.59 2.61 3.74 0.46 0.00 -1.26 -4.99 105.19 107.33 1bjm n GLY 58 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1bjm n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bjm s VAL 59 N -1.81 4.78 0.90 1.61 1.01 -0.00 -5.07 120.40 121.81 1bjm s VAL 59 Ca 0.00 1.61 -0.12 0.00 0.00 0.00 0.00 61.98 63.47 1bjm s VAL 59 Cb 0.00 -4.11 0.13 0.00 0.00 0.00 0.00 36.38 32.41 1bjm s VAL 59 CO 0.00 0.35 1.13 -0.55 0.00 0.00 0.00 175.10 176.02 1bjm s SER 60 N 0.08 3.55 0.00 3.32 0.15 -1.26 -4.82 113.70 114.71 1bjm s SER 60 Ca 0.39 1.03 0.17 0.00 0.70 0.00 0.00 55.95 58.24 1bjm s SER 60 Cb -0.20 -1.64 0.57 0.00 -1.71 0.00 0.00 66.02 63.04 1bjm s SER 60 CO 0.22 -2.53 1.43 0.47 1.20 0.00 0.00 173.24 174.03 1bjm n ASP 61 N -3.76 1.95 0.13 5.45 9.92 -1.26 -3.49 116.55 125.48 1bjm n ASP 61 Ca 0.06 -1.84 -0.02 0.00 -0.53 0.00 0.00 54.79 52.46 1bjm n ASP 61 Cb 0.59 -0.18 0.13 0.00 -0.64 0.00 0.00 41.12 41.02 1bjm n ASP 61 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1bjm h ARG 62 N 2.38 0.00 -5.01 -1.24 3.08 -1.92 -3.43 114.38 108.25 1bjm h ARG 62 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1bjm h ARG 62 Cb 0.53 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.43 1bjm h ARG 62 CO 0.00 0.67 -0.49 -0.06 -1.07 0.00 0.00 179.97 179.02 1bjm s PHE 63 N -3.48 3.27 0.02 3.04 0.40 -1.23 -0.81 117.98 119.19 1bjm s PHE 63 Ca -0.01 0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1bjm s PHE 63 Cb 0.12 -2.35 -0.02 0.00 0.51 0.00 0.00 43.02 41.29 1bjm s PHE 63 CO 0.77 -0.06 -0.04 -1.54 0.70 0.00 0.00 175.22 175.05 1bjm s SER 64 N 1.43 0.41 0.19 1.36 1.04 -1.08 -4.94 113.70 112.12 1bjm s SER 64 Ca 0.08 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 1bjm s SER 64 Cb -0.15 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 1bjm s SER 64 CO 0.08 -0.24 0.11 0.00 0.98 0.00 0.00 173.24 174.17 1bjm s ALA 65 N -1.30 1.14 0.18 5.32 0.00 -1.26 -0.15 121.76 125.70 1bjm s ALA 65 Ca -0.13 -1.67 -0.24 0.00 0.00 0.00 0.00 51.96 49.93 1bjm s ALA 65 Cb -0.09 1.27 0.05 0.00 0.00 0.00 0.00 23.12 24.35 1bjm s ALA 65 CO -0.01 -0.56 0.87 -1.54 0.00 0.00 0.00 175.76 174.53 1bjm s SER 66 N -3.15 -0.22 -0.03 0.00 1.04 -0.32 -4.47 113.70 106.56 1bjm s SER 66 Ca 0.36 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.36 1bjm s SER 66 Cb 0.07 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1bjm s SER 66 CO 0.10 -1.03 -0.01 -0.75 0.98 0.00 0.00 173.24 172.54 1bjm s LYS 67 N -3.48 0.36 -0.32 4.02 2.20 -1.26 0.63 119.74 121.89 1bjm s LYS 67 Ca 0.11 0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.77 1bjm s LYS 67 Cb -0.03 -0.50 0.10 0.00 -1.51 0.00 0.00 37.83 35.89 1bjm s LYS 67 CO 0.03 -0.11 0.07 0.45 -0.36 0.00 0.00 175.35 175.42 1bjm s SER 68 N 0.93 4.30 1.56 1.43 0.15 0.82 -4.95 113.70 117.93 1bjm s SER 68 Ca -0.10 -1.81 0.00 0.00 0.70 0.00 0.00 55.95 54.74 1bjm s SER 68 Cb -0.13 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1bjm s SER 68 CO -0.01 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1bjm n GLY 69 N 4.61 2.73 0.63 9.45 0.00 -1.26 -1.72 105.19 119.64 1bjm n GLY 69 Ca -0.00 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1bjm n GLY 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bjm n THR 70 N 0.00 0.18 -4.72 2.61 -1.04 -1.26 -3.83 114.28 106.21 1bjm n THR 70 Ca 0.00 -0.38 -0.26 0.00 -2.04 0.00 0.00 64.05 61.37 1bjm n THR 70 Cb 0.00 0.55 -0.14 0.00 -1.82 0.00 0.00 70.33 68.91 1bjm n THR 70 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1bjm s SER 71 N -1.69 2.51 0.07 8.00 0.01 -0.70 -0.95 113.70 120.95 1bjm s SER 71 Ca 0.34 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 57.15 1bjm s SER 71 Cb 0.19 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 1bjm s SER 71 CO 0.29 0.18 -0.13 0.00 0.41 0.00 0.00 173.24 173.99 1bjm s ALA 72 N -0.75 1.10 0.01 1.44 0.00 0.68 0.28 121.76 124.53 1bjm s ALA 72 Ca 0.08 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1bjm s ALA 72 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1bjm s ALA 72 CO 0.01 0.12 -0.01 -1.12 0.00 0.00 0.00 175.76 174.76 1bjm s SER 73 N -1.82 0.13 -0.12 0.00 0.01 0.20 -0.66 113.70 111.45 1bjm s SER 73 Ca -0.02 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 56.98 1bjm s SER 73 Cb -0.09 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 1bjm s SER 73 CO 0.02 -0.18 -0.20 -0.22 0.41 0.00 0.00 173.24 173.06 1bjm s LEU 74 N -0.87 2.28 -0.21 2.44 2.96 0.18 -1.17 118.68 124.29 1bjm s LEU 74 Ca -0.10 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 1bjm s LEU 74 Cb -0.06 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 1bjm s LEU 74 CO -0.01 0.14 -0.05 0.00 -1.32 0.00 0.00 176.35 175.12 1bjm s ALA 75 N 0.48 2.82 -0.30 5.97 0.00 0.79 0.11 121.76 131.63 1bjm s ALA 75 Ca -0.13 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 1bjm s ALA 75 Cb -0.17 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 1bjm s ALA 75 CO 0.05 -0.35 0.14 0.42 0.00 0.00 0.00 175.76 176.03 1bjm s ILE 76 N 1.34 4.61 -0.18 0.00 1.09 0.18 -2.62 121.20 125.62 1bjm s ILE 76 Ca 0.04 -0.35 -0.06 0.00 -1.10 0.00 0.00 60.65 59.18 1bjm s ILE 76 Cb -0.14 -3.32 -0.03 0.00 -1.06 0.00 0.00 42.46 37.90 1bjm s ILE 76 CO -0.02 0.11 0.02 -0.94 -0.10 0.00 0.00 174.94 174.01 1bjm s SER 77 N 1.62 5.26 0.00 3.58 1.04 0.01 -0.80 113.70 124.41 1bjm s SER 77 Ca 0.05 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1bjm s SER 77 Cb -0.17 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.06 1bjm s SER 77 CO 0.06 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1bjm n GLY 78 N 3.63 0.95 1.67 7.32 0.00 0.23 -4.62 105.19 114.38 1bjm n GLY 78 Ca -0.17 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1bjm n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bjm n LEU 79 N -0.02 0.50 -4.74 0.99 0.00 0.83 -4.25 117.00 110.32 1bjm n LEU 79 Ca 0.00 0.49 -0.23 0.00 0.00 0.00 0.00 56.01 56.27 1bjm n LEU 79 Cb 0.32 -0.41 -0.06 0.00 0.00 0.00 0.00 43.42 43.28 1bjm n LEU 79 CO 0.00 -0.38 -0.22 -1.10 0.00 0.00 0.00 177.39 175.69 1bjm s GLN 80 N 1.72 2.50 0.46 1.96 -1.52 -1.26 -0.24 119.66 123.29 1bjm s GLN 80 Ca 0.50 -1.38 0.25 0.00 -1.95 0.00 0.00 55.36 52.79 1bjm s GLN 80 Cb -0.69 -2.29 1.00 0.00 -0.22 0.00 0.00 33.01 30.82 1bjm s GLN 80 CO 0.36 0.25 1.86 -1.00 -0.25 0.00 0.00 175.29 176.50 1bjm h PRO 81 N 1.60 0.00 0.00 2.91 0.13 -1.91 -2.77 132.00 131.96 1bjm h PRO 81 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bjm h PRO 81 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1bjm h PRO 81 CO 0.61 0.19 0.00 -0.85 -0.23 0.00 0.00 178.00 177.72 1bjm n GLU 82 N -3.36 0.37 0.04 0.86 0.28 -1.26 -2.74 120.64 114.84 1bjm n GLU 82 Ca 0.00 0.07 0.12 0.00 -0.16 0.00 0.00 57.16 57.19 1bjm n GLU 82 Cb 0.40 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 31.98 1bjm n GLU 82 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1bjm n ASP 83 N -1.16 0.60 -4.57 -1.84 8.00 -1.05 -4.80 116.55 111.75 1bjm n ASP 83 Ca 0.10 0.01 -0.40 0.00 0.71 0.00 0.00 54.79 55.21 1bjm n ASP 83 Cb 0.10 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 1bjm n ASP 83 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1bjm s GLU 84 N -3.11 2.78 0.00 -1.24 2.12 -1.11 -4.78 118.70 113.36 1bjm s GLU 84 Ca 0.08 1.04 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1bjm s GLU 84 Cb 0.15 -4.36 0.00 0.00 0.26 0.00 0.00 34.13 30.18 1bjm s GLU 84 CO 0.71 -2.52 0.00 0.25 -0.54 0.00 0.00 175.26 173.15 1bjm n THR 85 N 7.42 0.00 -4.75 -1.70 -2.24 -1.24 -4.98 114.28 106.79 1bjm n THR 85 Ca 0.24 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.69 1bjm n THR 85 Cb 0.51 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.61 1bjm n THR 85 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1bjm s ASP 86 N 1.29 4.31 -0.10 3.42 1.01 -1.19 -2.04 116.67 123.37 1bjm s ASP 86 Ca 0.00 -0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.15 1bjm s ASP 86 Cb 0.00 -1.08 0.01 0.00 1.01 0.00 0.00 42.92 42.86 1bjm s ASP 86 CO 0.00 0.33 -0.15 -0.31 0.21 0.00 0.00 175.17 175.25 1bjm s TYR 87 N -0.63 1.91 0.05 4.23 1.51 0.76 -0.66 117.35 124.52 1bjm s TYR 87 Ca 0.09 -0.84 0.09 0.00 -1.01 0.00 0.00 57.07 55.40 1bjm s TYR 87 Cb -0.11 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 1bjm s TYR 87 CO 0.01 -0.42 -0.25 0.71 -1.11 0.00 0.00 175.55 174.50 1bjm s TYR 88 N 0.83 2.18 0.42 2.71 2.02 -1.00 -0.23 117.35 124.29 1bjm s TYR 88 Ca -0.10 -0.40 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 1bjm s TYR 88 Cb -0.15 -1.30 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 1bjm s TYR 88 CO 0.01 0.13 0.18 0.00 -1.57 0.00 0.00 175.55 174.30 1bjm s ALA 90 N -2.62 -1.93 -0.20 0.00 0.00 0.54 -0.48 121.76 117.07 1bjm s ALA 90 Ca 0.40 1.51 -0.27 0.00 0.00 0.00 0.00 51.96 53.59 1bjm s ALA 90 Cb 0.04 -0.53 0.09 0.00 0.00 0.00 0.00 23.12 22.72 1bjm s ALA 90 CO 0.22 -0.38 0.82 0.00 0.00 0.00 0.00 175.76 176.42 1bjm s ALA 91 N -1.48 -1.84 0.33 0.00 0.00 -1.04 0.46 121.76 118.19 1bjm s ALA 91 Ca 0.00 1.74 -0.29 0.00 0.00 0.00 0.00 51.96 53.42 1bjm s ALA 91 Cb -0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 23.12 22.15 1bjm s ALA 91 CO -0.01 -0.32 1.42 -0.46 0.00 0.00 0.00 175.76 176.40 1bjm s TRP 92 N -0.28 2.83 -0.38 0.00 -0.11 -1.26 -2.44 118.94 117.29 1bjm s TRP 92 Ca -0.02 1.21 -0.08 0.00 1.22 0.00 0.00 56.10 58.43 1bjm s TRP 92 Cb -0.03 -3.87 0.06 0.00 -1.50 0.00 0.00 33.47 28.13 1bjm s TRP 92 CO 0.02 -2.57 0.19 0.34 -4.62 0.00 0.00 176.95 170.31 1bjm s ASP 93 N -0.15 5.50 0.12 5.86 -1.08 0.32 -3.44 116.67 123.79 1bjm s ASP 93 Ca 0.53 -1.37 -0.25 0.00 -0.52 0.00 0.00 52.55 50.95 1bjm s ASP 93 Cb -0.43 -1.93 -0.06 0.00 -1.46 0.00 0.00 42.92 39.03 1bjm s ASP 93 CO 0.55 -0.45 1.66 0.44 0.52 0.00 0.00 175.17 177.90 1bjm h ASP 94 N 8.31 -0.55 0.42 -0.34 5.19 -1.79 2.04 116.42 129.70 1bjm h ASP 94 Ca -0.22 0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.14 1bjm h ASP 94 Cb 1.08 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1bjm h ASP 94 CO 0.69 -0.26 -0.53 0.77 -3.12 0.00 0.00 179.24 176.80 1bjm h SER 95 N -0.31 0.13 1.05 6.45 4.64 -1.94 -3.11 113.55 120.47 1bjm h SER 95 Ca 0.05 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1bjm h SER 95 Cb 0.38 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1bjm h SER 95 CO -0.17 0.64 -0.95 -0.07 -0.87 0.00 0.00 176.83 175.41 1bjm h LEU 96 N 0.10 0.00 -2.94 5.97 -0.00 -1.92 -3.49 115.31 113.02 1bjm h LEU 96 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.65 1bjm h LEU 96 Cb 0.96 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.64 1bjm h LEU 96 CO 0.07 0.03 -0.53 0.47 -0.00 0.00 0.00 178.44 178.48 1bjm n ASP 97 N -2.72 -6.44 -3.65 -0.43 9.92 0.69 -4.99 116.55 108.93 1bjm n ASP 97 Ca -0.00 -0.53 0.00 0.00 -0.53 0.00 0.00 54.79 53.73 1bjm n ASP 97 Cb 0.56 -3.85 -0.01 0.00 -0.64 0.00 0.00 41.12 37.18 1bjm n ASP 97 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1bjm s VAL 98 N -3.08 0.00 -0.10 2.53 -7.23 -1.11 -4.98 120.40 106.42 1bjm s VAL 98 Ca 0.09 -0.32 -0.18 0.00 -1.81 0.00 0.00 61.98 59.75 1bjm s VAL 98 Cb -0.03 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1bjm s VAL 98 CO 0.81 0.00 0.49 0.00 -0.31 0.00 0.00 175.10 176.09 1bjm s ALA 99 N -2.60 3.48 -0.16 1.32 0.00 -1.26 0.12 121.76 122.66 1bjm s ALA 99 Ca 0.14 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1bjm s ALA 99 Cb 0.03 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1bjm s ALA 99 CO -0.02 0.04 -0.17 0.08 0.00 0.00 0.00 175.76 175.68 1bjm s VAL 100 N 0.48 2.46 0.30 0.00 1.01 -1.02 -4.92 120.40 118.70 1bjm s VAL 100 Ca 0.27 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1bjm s VAL 100 Cb -0.16 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1bjm s VAL 100 CO 0.11 0.52 0.45 -0.36 0.00 0.00 0.00 175.10 175.82 1bjm s PHE 101 N 0.93 3.41 0.66 5.22 0.40 -1.26 -2.49 117.98 124.84 1bjm s PHE 101 Ca -0.04 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.26 1bjm s PHE 101 Cb -0.15 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1bjm s PHE 101 CO -0.03 0.24 1.06 0.20 0.70 0.00 0.00 175.22 177.39 1bjm s GLY 102 N -4.04 1.65 0.51 4.36 0.00 0.36 -2.60 107.32 107.57 1bjm s GLY 102 Ca 0.38 -0.19 0.30 0.00 0.00 0.00 0.00 44.72 45.21 1bjm s GLY 102 CO 0.32 0.12 1.97 -0.84 0.00 0.00 0.00 173.10 174.67 1bjm h THR 103 N -0.47 0.31 0.00 0.90 2.02 -1.05 -3.44 112.91 111.18 1bjm h THR 103 Ca -0.44 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1bjm h THR 103 Cb 1.22 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1bjm h THR 103 CO 0.63 0.10 0.00 0.61 0.37 0.00 0.00 175.52 177.23 1bjm n GLY 104 N -0.14 0.97 3.01 2.16 0.00 -1.26 -4.97 105.19 104.95 1bjm n GLY 104 Ca -0.00 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 1bjm n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bjm s THR 105 N -0.88 1.05 -0.23 2.61 2.01 0.68 -4.27 115.64 116.62 1bjm s THR 105 Ca 0.00 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 1bjm s THR 105 Cb 0.00 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.54 1bjm s THR 105 CO 0.00 0.34 -0.03 -1.59 -0.69 0.00 0.00 174.62 172.64 1bjm s LYS 106 N 0.66 3.31 -0.03 4.92 0.00 -0.55 0.27 119.74 128.32 1bjm s LYS 106 Ca -0.14 -0.67 -0.23 0.00 0.00 0.00 0.00 55.97 54.94 1bjm s LYS 106 Cb -0.15 -3.04 -0.05 0.00 0.00 0.00 0.00 37.83 34.60 1bjm s LYS 106 CO 0.03 -0.23 0.68 0.08 0.00 0.00 0.00 175.35 175.90 1bjm s VAL 107 N 1.47 4.95 -0.21 1.79 1.01 -0.87 -0.85 120.40 127.69 1bjm s VAL 107 Ca 0.05 1.41 -0.04 0.00 0.00 0.00 0.00 61.98 63.40 1bjm s VAL 107 Cb -0.15 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1bjm s VAL 107 CO -0.03 0.32 -0.05 -0.89 0.00 0.00 0.00 175.10 174.45 1bjm s THR 108 N 0.34 3.34 -0.56 3.92 2.01 0.18 -3.59 115.64 121.28 1bjm s THR 108 Ca 0.35 -0.51 -0.18 0.00 0.31 0.00 0.00 61.69 61.67 1bjm s THR 108 Cb -0.18 -2.51 0.10 0.00 0.01 0.00 0.00 72.50 69.91 1bjm s THR 108 CO 0.19 0.43 0.64 -0.69 -0.69 0.00 0.00 174.62 174.50 1bjm s VAL 109 N 1.39 4.92 0.51 3.82 1.01 -1.26 -1.18 120.40 129.61 1bjm s VAL 109 Ca 0.05 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 1bjm s VAL 109 Cb -0.14 -4.41 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1bjm s VAL 109 CO -0.03 -1.00 1.13 -0.76 0.00 0.00 0.00 175.10 174.44 1bjm s LEU 110 N 2.44 3.84 -0.99 3.92 1.43 -0.39 -4.24 118.68 124.68 1bjm s LEU 110 Ca 0.10 2.20 -0.15 0.00 -1.03 0.00 0.00 54.13 55.25 1bjm s LEU 110 Cb -0.24 -4.47 0.01 0.00 0.03 0.00 0.00 46.19 41.52 1bjm s LEU 110 CO 0.07 -1.09 0.66 0.61 0.23 0.00 0.00 176.35 176.83 1bjm n GLY 111 N 0.23 -1.11 3.75 -3.19 0.00 -1.26 -4.17 105.19 99.44 1bjm n GLY 111 Ca 0.10 0.49 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 1bjm n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bjm s GLN 112 N -5.79 4.76 0.88 1.61 -0.21 -1.26 -4.81 119.66 114.84 1bjm s GLN 112 Ca 0.23 1.58 -0.15 0.00 0.02 0.00 0.00 55.36 57.05 1bjm s GLN 112 Cb -0.12 -3.27 -0.02 0.00 1.00 0.00 0.00 33.01 30.60 1bjm s GLN 112 CO 0.91 0.36 0.22 -2.30 -2.12 0.00 0.00 175.29 172.36 1bjm n PRO 113 N 1.68 -0.07 -3.28 2.91 -0.02 -1.26 -4.96 135.00 130.00 1bjm n PRO 113 Ca -0.01 0.02 -0.38 0.00 -2.02 0.00 0.00 63.50 61.11 1bjm n PRO 113 Cb 0.47 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 1bjm n PRO 113 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1bjm s LYS 114 N -3.04 4.31 -0.26 -0.52 1.02 -1.26 -4.76 119.74 115.23 1bjm s LYS 114 Ca 0.56 0.47 0.02 0.00 0.02 0.00 0.00 55.97 57.04 1bjm s LYS 114 Cb -0.25 -3.46 0.07 0.00 -0.52 0.00 0.00 37.83 33.66 1bjm s LYS 114 CO 0.67 0.08 -0.04 0.00 -0.92 0.00 0.00 175.35 175.15 1bjm s ALA 115 N 0.86 2.20 0.14 5.17 0.00 0.42 -4.94 121.76 125.61 1bjm s ALA 115 Ca 0.26 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 1bjm s ALA 115 Cb -0.15 -1.56 -0.07 0.00 0.00 0.00 0.00 23.12 21.33 1bjm s ALA 115 CO 0.11 -1.30 1.24 -0.80 0.00 0.00 0.00 175.76 175.00 1bjm s ASN 116 N 1.27 7.03 0.81 0.00 0.01 -1.26 0.45 114.94 123.25 1bjm s ASN 116 Ca -0.03 2.20 -0.11 0.00 -0.71 0.00 0.00 52.86 54.20 1bjm s ASN 116 Cb -0.19 -2.60 0.08 0.00 0.41 0.00 0.00 41.25 38.96 1bjm s ASN 116 CO -0.08 -0.46 1.13 -2.16 -1.51 0.00 0.00 177.10 174.03 1bjm s PRO 117 N 0.35 1.79 -0.16 -0.60 0.04 -1.26 -4.65 135.00 130.51 1bjm s PRO 117 Ca 0.57 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.98 1bjm s PRO 117 Cb -0.33 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1bjm s PRO 117 CO 0.34 -2.03 0.06 0.99 0.04 0.00 0.00 177.00 176.40 1bjm s THR 118 N -2.60 4.83 -0.14 1.26 2.01 0.57 -4.95 115.64 116.62 1bjm s THR 118 Ca 0.66 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.63 1bjm s THR 118 Cb -0.22 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 1bjm s THR 118 CO 0.54 0.50 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.15 1bjm s VAL 119 N 0.02 3.01 -0.10 3.82 1.01 -1.26 -0.95 120.40 125.96 1bjm s VAL 119 Ca 0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1bjm s VAL 119 Cb -0.12 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1bjm s VAL 119 CO 0.01 0.52 -0.03 -0.89 0.00 0.00 0.00 175.10 174.70 1bjm s THR 120 N 0.45 0.69 -0.25 3.92 2.01 -0.00 -4.99 115.64 117.47 1bjm s THR 120 Ca -0.10 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 61.69 1bjm s THR 120 Cb -0.16 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1bjm s THR 120 CO 0.05 0.29 0.16 -0.22 -0.69 0.00 0.00 174.62 174.21 1bjm s LEU 121 N 1.84 4.04 -0.24 4.42 2.96 -1.26 -0.17 118.68 130.27 1bjm s LEU 121 Ca 0.05 0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.94 1bjm s LEU 121 Cb -0.13 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1bjm s LEU 121 CO -0.07 0.02 0.05 -0.36 -1.32 0.00 0.00 176.35 174.68 1bjm s PHE 122 N 1.31 3.08 0.73 5.38 0.08 0.14 -4.99 117.98 123.71 1bjm s PHE 122 Ca 0.07 -0.44 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 1bjm s PHE 122 Cb -0.14 -2.20 0.04 0.00 -0.57 0.00 0.00 43.02 40.14 1bjm s PHE 122 CO 0.07 -0.33 1.11 -1.25 -0.10 0.00 0.00 175.22 174.71 1bjm s PRO 123 N 1.46 2.57 0.20 0.24 0.04 -1.26 -1.44 135.00 136.81 1bjm s PRO 123 Ca 0.05 0.30 -0.32 0.00 0.04 0.00 0.00 61.00 61.08 1bjm s PRO 123 Cb -0.15 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 1bjm s PRO 123 CO 0.03 -1.19 1.17 -2.30 0.04 0.00 0.00 177.00 174.74 1bjm n PRO 124 N -3.07 1.29 -1.42 0.56 -0.02 -1.19 -4.84 135.00 126.30 1bjm n PRO 124 Ca 0.07 0.46 -0.29 0.00 -2.02 0.00 0.00 63.50 61.71 1bjm n PRO 124 Cb 0.58 -1.95 0.18 0.00 -0.02 0.00 0.00 33.50 32.30 1bjm n PRO 124 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bjm s SER 125 N -0.05 2.50 -0.07 2.55 0.15 -1.26 -4.98 113.70 112.53 1bjm s SER 125 Ca 0.70 0.75 -0.01 0.00 0.70 0.00 0.00 55.95 58.09 1bjm s SER 125 Cb -0.81 -1.13 -0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1bjm s SER 125 CO 0.53 -3.16 0.04 0.77 1.20 0.00 0.00 173.24 172.62 1bjm h SER 126 N -1.92 -0.02 -0.64 5.45 4.64 -1.97 -3.15 113.55 115.93 1bjm h SER 126 Ca -0.48 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1bjm h SER 126 Cb 1.30 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.31 1bjm h SER 126 CO 0.48 0.36 0.39 -0.62 -0.87 0.00 0.00 176.83 176.57 1bjm n GLU 127 N -4.19 -0.03 0.00 4.77 1.02 -1.26 0.26 120.64 121.21 1bjm n GLU 127 Ca -0.00 0.71 0.11 0.00 -0.02 0.00 0.00 57.16 57.96 1bjm n GLU 127 Cb 0.01 -1.33 0.09 0.00 -0.02 0.00 0.00 31.44 30.19 1bjm n GLU 127 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bjm n GLU 128 N -3.98 0.40 -0.09 3.49 2.13 -1.25 -4.11 120.64 117.23 1bjm n GLU 128 Ca 0.21 -0.30 -0.11 0.00 0.66 0.00 0.00 57.16 57.62 1bjm n GLU 128 Cb 0.77 -1.49 -0.15 0.00 0.27 0.00 0.00 31.44 30.84 1bjm n GLU 128 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1bjm n LEU 129 N -1.04 0.58 -2.31 4.31 4.77 0.72 0.03 117.00 124.06 1bjm n LEU 129 Ca 0.07 0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.79 1bjm n LEU 129 Cb 0.36 0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1bjm n LEU 129 CO 0.35 0.55 1.42 0.00 -1.33 0.00 0.00 177.39 178.38 1bjm n GLN 130 N -2.87 2.44 0.00 3.23 6.02 -0.63 -1.97 117.38 123.60 1bjm n GLN 130 Ca -0.33 -2.80 0.00 0.00 -0.01 0.00 0.00 57.00 53.87 1bjm n GLN 130 Cb 1.12 -2.10 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1bjm n GLN 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bjm n ALA 131 N -0.39 0.00 -3.68 -1.58 0.00 -1.26 -4.93 120.51 108.67 1bjm n ALA 131 Ca 0.52 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.74 1bjm n ALA 131 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.07 1bjm n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bjm n ASN 132 N 0.00 -2.40 -4.17 0.00 4.13 -0.83 -5.02 115.26 106.97 1bjm n ASN 132 Ca 0.00 -0.75 -0.13 0.00 1.68 0.00 0.00 54.58 55.38 1bjm n ASN 132 Cb 0.19 -4.31 -0.10 0.00 -1.54 0.00 0.00 39.78 34.01 1bjm n ASN 132 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1bjm s LYS 133 N -6.00 0.85 -0.20 3.52 1.02 0.10 -4.76 119.74 114.27 1bjm s LYS 133 Ca 0.17 -1.24 -0.04 0.00 0.02 0.00 0.00 55.97 54.87 1bjm s LYS 133 Cb -0.08 -0.38 0.10 0.00 -0.52 0.00 0.00 37.83 36.95 1bjm s LYS 133 CO 0.79 0.03 0.31 0.00 -0.92 0.00 0.00 175.35 175.57 1bjm s ALA 134 N -3.00 -0.73 -0.02 5.17 0.00 -1.25 -3.24 121.76 118.69 1bjm s ALA 134 Ca 0.09 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1bjm s ALA 134 Cb 0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 1bjm s ALA 134 CO -0.02 -1.05 -0.12 0.99 0.00 0.00 0.00 175.76 175.56 1bjm s THR 135 N 2.46 1.00 -0.07 0.00 2.01 -1.26 -1.27 115.64 118.51 1bjm s THR 135 Ca 0.07 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1bjm s THR 135 Cb -0.14 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1bjm s THR 135 CO -0.13 0.29 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.21 1bjm s LEU 136 N -0.14 2.80 -0.04 4.42 1.02 -1.06 -3.18 118.68 122.50 1bjm s LEU 136 Ca 0.02 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.00 1bjm s LEU 136 Cb -0.07 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.56 1bjm s LEU 136 CO 0.00 0.31 -0.13 -0.69 0.02 0.00 0.00 176.35 175.86 1bjm s VAL 137 N -0.49 1.11 -0.43 -1.59 1.01 -0.52 -1.77 120.40 117.72 1bjm s VAL 137 Ca 0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1bjm s VAL 137 Cb -0.12 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.40 1bjm s VAL 137 CO 0.02 0.33 0.21 0.00 0.00 0.00 0.00 175.10 175.66 1bjm s LEU 139 N 0.82 4.18 -0.40 0.00 2.96 0.76 -1.70 118.68 125.31 1bjm s LEU 139 Ca 0.11 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 55.09 1bjm s LEU 139 Cb -0.22 -3.11 0.11 0.00 0.50 0.00 0.00 46.19 43.48 1bjm s LEU 139 CO -0.05 -0.32 0.16 -0.63 -1.32 0.00 0.00 176.35 174.19 1bjm s ILE 140 N 1.89 2.82 0.48 6.68 1.01 -0.66 -0.82 121.20 132.60 1bjm s ILE 140 Ca 0.35 -2.33 0.03 0.00 0.00 0.00 0.00 60.65 58.70 1bjm s ILE 140 Cb -0.16 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 1bjm s ILE 140 CO 0.12 -0.67 0.05 -0.94 0.00 0.00 0.00 174.94 173.50 1bjm s SER 141 N 1.20 4.13 -1.41 3.58 1.04 -0.12 -1.09 113.70 121.02 1bjm s SER 141 Ca 0.11 -1.50 -0.09 0.00 0.48 0.00 0.00 55.95 54.95 1bjm s SER 141 Cb -0.21 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.15 1bjm s SER 141 CO -0.06 -0.74 0.99 0.47 0.98 0.00 0.00 173.24 174.88 1bjm n ASP 142 N -1.23 -4.29 -4.56 7.02 8.00 -0.35 -0.32 116.55 120.83 1bjm n ASP 142 Ca -0.13 -0.71 -0.28 0.00 0.71 0.00 0.00 54.79 54.39 1bjm n ASP 142 Cb 0.67 -4.34 -0.10 0.00 -0.02 0.00 0.00 41.12 37.33 1bjm n ASP 142 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1bjm s PHE 143 N -3.38 2.64 -0.28 1.24 -0.71 -0.81 -4.43 117.98 112.25 1bjm s PHE 143 Ca 0.46 -0.21 -0.19 0.00 -1.04 0.00 0.00 56.93 55.95 1bjm s PHE 143 Cb -0.22 -1.33 0.09 0.00 -1.21 0.00 0.00 43.02 40.35 1bjm s PHE 143 CO 0.79 0.47 0.74 -0.47 -1.34 0.00 0.00 175.22 175.41 1bjm s TYR 144 N -1.50 -0.93 1.03 3.49 5.04 0.17 -0.87 117.35 123.79 1bjm s TYR 144 Ca 0.23 1.95 -0.17 0.00 -2.44 0.00 0.00 57.07 56.64 1bjm s TYR 144 Cb -0.10 0.50 0.26 0.00 0.35 0.00 0.00 41.96 42.98 1bjm s TYR 144 CO 0.14 -0.46 0.83 -2.30 -1.34 0.00 0.00 175.55 172.42 1bjm n PRO 145 N 3.74 -3.10 -2.09 4.97 -0.02 -1.26 -0.44 135.00 136.80 1bjm n PRO 145 Ca -0.18 -1.34 -0.38 0.00 -2.02 0.00 0.00 63.50 59.58 1bjm n PRO 145 Cb 0.58 -1.35 0.01 0.00 -0.02 0.00 0.00 33.50 32.71 1bjm n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bjm n GLY 146 N -3.61 5.46 2.85 -1.23 0.00 -1.26 -4.90 105.19 102.49 1bjm n GLY 146 Ca 0.12 -2.33 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 1bjm n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bjm s ALA 147 N -3.23 -0.10 0.22 4.61 0.00 -1.26 -4.78 121.76 117.22 1bjm s ALA 147 Ca 0.49 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 1bjm s ALA 147 Cb 0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1bjm s ALA 147 CO -0.23 -0.17 0.36 0.14 0.00 0.00 0.00 175.76 175.85 1bjm s VAL 148 N 1.23 0.01 0.14 0.00 -7.23 -1.26 -4.74 120.40 108.55 1bjm s VAL 148 Ca -0.08 -1.56 0.10 0.00 -1.81 0.00 0.00 61.98 58.63 1bjm s VAL 148 Cb -0.12 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1bjm s VAL 148 CO -0.05 -0.04 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.57 1bjm s THR 149 N -4.05 2.45 -0.01 5.32 2.01 -0.71 -4.99 115.64 115.67 1bjm s THR 149 Ca 0.26 -1.74 0.01 0.00 0.31 0.00 0.00 61.69 60.53 1bjm s THR 149 Cb 0.02 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1bjm s THR 149 CO 0.09 0.05 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.35 1bjm s VAL 150 N -1.20 0.24 -0.11 3.82 1.01 -1.26 -1.81 120.40 121.08 1bjm s VAL 150 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1bjm s VAL 150 Cb -0.10 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.09 1bjm s VAL 150 CO 0.08 0.08 0.30 0.00 0.00 0.00 0.00 175.10 175.56 1bjm s ALA 151 N 0.10 -0.75 0.05 5.51 0.00 -0.52 -5.00 121.76 121.15 1bjm s ALA 151 Ca -0.01 0.87 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1bjm s ALA 151 Cb -0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1bjm s ALA 151 CO -0.00 -0.15 -0.18 -1.58 0.00 0.00 0.00 175.76 173.85 1bjm s TRP 152 N 0.24 2.56 -0.00 0.00 0.52 -1.26 -0.12 118.94 120.88 1bjm s TRP 152 Ca -0.01 -0.25 -0.04 0.00 0.02 0.00 0.00 56.10 55.82 1bjm s TRP 152 Cb -0.03 -1.46 -0.00 0.00 -1.15 0.00 0.00 33.47 30.84 1bjm s TRP 152 CO -0.00 0.27 0.08 0.15 0.02 0.00 0.00 176.95 177.46 1bjm s LYS 153 N -1.50 0.34 -0.05 4.98 1.02 -0.82 -0.48 119.74 123.22 1bjm s LYS 153 Ca 0.15 -0.31 -0.00 0.00 0.02 0.00 0.00 55.97 55.82 1bjm s LYS 153 Cb -0.11 0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.37 1bjm s LYS 153 CO 0.06 -0.07 -0.01 0.00 -0.92 0.00 0.00 175.35 174.41 1bjm s ALA 154 N -1.02 0.58 -1.51 5.17 0.00 0.26 -1.48 121.76 123.75 1bjm s ALA 154 Ca -0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 1bjm s ALA 154 Cb -0.06 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.54 1bjm s ALA 154 CO 0.00 -0.26 0.42 -0.25 0.00 0.00 0.00 175.76 175.68 1bjm n ASP 155 N 4.65 -0.76 0.00 0.00 8.00 -0.71 -0.26 116.55 127.47 1bjm n ASP 155 Ca -0.16 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1bjm n ASP 155 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 41.12 38.93 1bjm n ASP 155 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bjm n GLY 156 N -1.95 1.38 3.76 0.44 0.00 -1.26 -4.97 105.19 102.59 1bjm n GLY 156 Ca -0.22 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1bjm n GLY 156 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bjm s SER 157 N 0.01 7.17 0.16 1.61 0.15 0.63 -4.88 113.70 118.54 1bjm s SER 157 Ca 0.00 2.26 -0.34 0.00 0.70 0.00 0.00 55.95 58.57 1bjm s SER 157 Cb 0.00 -2.62 -0.15 0.00 -1.71 0.00 0.00 66.02 61.54 1bjm s SER 157 CO 0.00 -0.21 1.44 -0.81 1.20 0.00 0.00 173.24 174.86 1bjm n PRO 158 N 0.99 1.77 -3.35 5.44 -0.04 -1.26 0.89 135.00 139.43 1bjm n PRO 158 Ca -0.00 0.63 -0.45 0.00 -0.04 0.00 0.00 63.50 63.64 1bjm n PRO 158 Cb 0.45 -2.32 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 1bjm n PRO 158 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bjm s VAL 159 N 0.50 5.14 -0.38 0.52 1.01 0.37 -4.76 120.40 122.79 1bjm s VAL 159 Ca 0.78 -1.39 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1bjm s VAL 159 Cb -0.76 -4.23 0.47 0.00 0.00 0.00 0.00 36.38 31.86 1bjm s VAL 159 CO 0.44 -0.77 1.48 2.29 0.00 0.00 0.00 175.10 178.53 1bjm n LYS 160 N 5.21 2.84 -3.64 2.72 2.85 -1.26 -4.52 118.16 122.35 1bjm n LYS 160 Ca -0.13 -3.66 -0.06 0.00 -1.05 0.00 0.00 58.31 53.41 1bjm n LYS 160 Cb 0.41 -2.14 -0.07 0.00 -0.65 0.00 0.00 35.03 32.59 1bjm n LYS 160 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bjm s ALA 161 N -3.55 -1.94 0.00 0.58 0.00 -1.26 -4.99 121.76 110.60 1bjm s ALA 161 Ca 0.52 2.40 0.00 0.00 0.00 0.00 0.00 51.96 54.88 1bjm s ALA 161 Cb 0.43 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1bjm s ALA 161 CO 0.01 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1bjm n GLY 162 N 4.30 0.52 3.82 0.00 0.00 -1.26 -4.91 105.19 107.65 1bjm n GLY 162 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1bjm n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bjm s VAL 163 N -2.22 4.67 -0.06 1.61 1.01 -1.26 -2.65 120.40 121.51 1bjm s VAL 163 Ca 0.00 1.17 -0.00 0.00 0.00 0.00 0.00 61.98 63.15 1bjm s VAL 163 Cb 0.00 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1bjm s VAL 163 CO 0.00 0.33 -0.01 -1.61 0.00 0.00 0.00 175.10 173.80 1bjm s GLU 164 N -1.70 0.65 -0.01 2.72 0.41 -0.07 -4.99 118.70 115.71 1bjm s GLU 164 Ca 0.38 0.03 0.08 0.00 -0.41 0.00 0.00 54.97 55.04 1bjm s GLU 164 Cb -0.17 -0.86 -0.02 0.00 -1.78 0.00 0.00 34.13 31.29 1bjm s GLU 164 CO 0.20 -0.20 -0.25 0.99 -0.49 0.00 0.00 175.26 175.51 1bjm s THR 165 N 1.47 2.01 0.05 3.63 2.01 -1.26 -0.54 115.64 123.02 1bjm s THR 165 Ca -0.03 -1.13 -0.24 0.00 0.31 0.00 0.00 61.69 60.61 1bjm s THR 165 Cb -0.13 -1.68 -0.06 0.00 0.01 0.00 0.00 72.50 70.64 1bjm s THR 165 CO -0.03 0.53 0.71 -0.89 -0.69 0.00 0.00 174.62 174.26 1bjm s THR 166 N -0.63 4.71 0.36 -0.82 2.01 -0.73 -5.01 115.64 115.54 1bjm s THR 166 Ca 0.10 1.53 -0.27 0.00 0.31 0.00 0.00 61.69 63.35 1bjm s THR 166 Cb -0.10 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.26 1bjm s THR 166 CO -0.00 0.41 1.27 -0.54 -0.69 0.00 0.00 174.62 175.07 1bjm s LYS 167 N -0.33 4.21 0.54 4.92 -0.14 -1.26 -4.48 119.74 123.20 1bjm s LYS 167 Ca 0.36 2.12 -0.21 0.00 -1.36 0.00 0.00 55.97 56.87 1bjm s LYS 167 Cb -0.20 -2.92 -0.05 0.00 -1.68 0.00 0.00 37.83 32.97 1bjm s LYS 167 CO 0.22 -0.28 1.29 -2.14 -0.76 0.00 0.00 175.35 173.68 1bjm s PRO 168 N -1.98 3.23 0.04 -1.68 0.02 -1.26 -4.87 135.00 128.50 1bjm s PRO 168 Ca 0.52 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 1bjm s PRO 168 Cb -0.37 -2.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.89 1bjm s PRO 168 CO 0.49 -1.07 -0.02 -1.54 -0.33 0.00 0.00 177.00 174.54 1bjm s SER 169 N -1.17 0.39 0.40 2.53 1.04 -0.97 -4.98 113.70 110.94 1bjm s SER 169 Ca 0.71 -0.81 -0.25 0.00 0.48 0.00 0.00 55.95 56.08 1bjm s SER 169 Cb -0.36 0.18 -0.08 0.00 0.10 0.00 0.00 66.02 65.85 1bjm s SER 169 CO 0.42 -0.51 1.20 -0.54 0.98 0.00 0.00 173.24 174.79 1bjm s LYS 170 N -3.10 4.01 0.48 4.02 3.01 -1.26 -2.34 119.74 124.57 1bjm s LYS 170 Ca -0.01 1.91 0.08 0.00 -1.01 0.00 0.00 55.97 56.94 1bjm s LYS 170 Cb 0.02 -2.68 0.04 0.00 -1.01 0.00 0.00 37.83 34.20 1bjm s LYS 170 CO -0.07 -0.38 0.66 -0.65 0.51 0.00 0.00 175.35 175.42 1bjm s GLN 171 N -2.30 2.64 0.33 1.68 -0.21 0.16 -4.89 119.66 117.07 1bjm s GLN 171 Ca 0.57 -1.31 0.01 0.00 0.02 0.00 0.00 55.36 54.66 1bjm s GLN 171 Cb -0.32 -2.70 0.58 0.00 1.00 0.00 0.00 33.01 31.57 1bjm s GLN 171 CO 0.41 -0.49 1.97 0.66 -2.12 0.00 0.00 175.29 175.71 1bjm h SER 172 N 0.44 0.73 0.00 5.90 4.64 -1.98 -2.87 113.55 120.42 1bjm h SER 172 Ca -0.37 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1bjm h SER 172 Cb 1.28 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1bjm h SER 172 CO 0.44 0.58 0.00 -0.46 -0.87 0.00 0.00 176.83 176.52 1bjm n ASN 173 N -4.40 0.00 -0.07 4.97 0.23 -1.26 -4.81 115.26 109.92 1bjm n ASN 173 Ca 0.06 -1.33 -0.01 0.00 -0.53 0.00 0.00 54.58 52.77 1bjm n ASN 173 Cb 0.08 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1bjm n ASN 173 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1bjm n ASN 174 N -0.74 -3.16 -4.67 0.53 2.85 -1.08 -4.12 115.26 104.86 1bjm n ASN 174 Ca 0.10 0.02 -0.30 0.00 -0.11 0.00 0.00 54.58 54.30 1bjm n ASN 174 Cb 0.05 -0.74 -0.08 0.00 1.24 0.00 0.00 39.78 40.24 1bjm n ASN 174 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1bjm s LYS 175 N -1.49 2.47 0.49 1.20 1.02 -1.26 -4.87 119.74 117.31 1bjm s LYS 175 Ca 0.00 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 1bjm s LYS 175 Cb 0.00 -2.49 -0.06 0.00 -0.52 0.00 0.00 37.83 34.76 1bjm s LYS 175 CO 0.00 0.52 0.89 0.71 -0.92 0.00 0.00 175.35 176.55 1bjm s TYR 176 N -1.35 3.51 -0.03 3.18 1.51 -0.05 0.37 117.35 124.50 1bjm s TYR 176 Ca 0.25 1.18 -0.11 0.00 -1.01 0.00 0.00 57.07 57.39 1bjm s TYR 176 Cb -0.11 -2.58 0.02 0.00 -0.11 0.00 0.00 41.96 39.18 1bjm s TYR 176 CO 0.18 -0.32 0.23 0.00 -1.11 0.00 0.00 175.55 174.53 1bjm s ALA 177 N -2.66 -0.58 0.30 3.71 0.00 -0.99 -1.21 121.76 120.33 1bjm s ALA 177 Ca 0.54 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.54 1bjm s ALA 177 Cb -0.10 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1bjm s ALA 177 CO 0.38 -0.21 0.79 0.00 0.00 0.00 0.00 175.76 176.72 1bjm s ALA 178 N -1.03 -1.10 0.05 0.00 0.00 -0.25 -2.30 121.76 117.13 1bjm s ALA 178 Ca -0.11 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 51.33 1bjm s ALA 178 Cb -0.05 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.82 1bjm s ALA 178 CO 0.02 -1.02 0.16 -1.12 0.00 0.00 0.00 175.76 173.80 1bjm s SER 179 N -3.02 0.11 -0.05 0.00 0.01 -1.26 -1.66 113.70 107.84 1bjm s SER 179 Ca 0.14 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.89 1bjm s SER 179 Cb -0.05 0.28 0.02 0.00 0.21 0.00 0.00 66.02 66.48 1bjm s SER 179 CO 0.08 -0.59 -0.03 -0.55 0.41 0.00 0.00 173.24 172.56 1bjm s SER 180 N -2.31 1.06 0.04 2.44 0.15 -0.69 -1.77 113.70 112.62 1bjm s SER 180 Ca -0.02 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.57 1bjm s SER 180 Cb 0.01 -0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 63.85 1bjm s SER 180 CO -0.06 -0.08 -0.18 -0.72 1.20 0.00 0.00 173.24 173.39 1bjm s TYR 181 N 1.13 1.61 -0.18 3.44 1.13 0.30 -1.25 117.35 123.54 1bjm s TYR 181 Ca -0.08 -0.36 0.01 0.00 -1.41 0.00 0.00 57.07 55.22 1bjm s TYR 181 Cb -0.14 -0.96 0.03 0.00 -1.10 0.00 0.00 41.96 39.79 1bjm s TYR 181 CO -0.01 0.07 -0.12 -1.17 -2.51 0.00 0.00 175.55 171.81 1bjm s LEU 182 N -1.16 2.04 -0.19 -3.49 2.96 -0.73 -0.89 118.68 117.22 1bjm s LEU 182 Ca 0.06 -0.72 -0.15 0.00 -0.22 0.00 0.00 54.13 53.09 1bjm s LEU 182 Cb -0.08 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 1bjm s LEU 182 CO 0.02 -0.11 0.38 -0.44 -1.32 0.00 0.00 176.35 174.88 1bjm s SER 183 N 1.43 6.45 0.39 3.68 0.01 -1.08 -2.57 113.70 122.00 1bjm s SER 183 Ca 0.01 0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.83 1bjm s SER 183 Cb -0.15 -2.22 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1bjm s SER 183 CO -0.09 -0.03 0.11 0.18 0.41 0.00 0.00 173.24 173.82 1bjm n LEU 184 N 4.21 0.00 -4.90 2.44 4.77 -0.40 -4.76 117.00 118.35 1bjm n LEU 184 Ca -0.09 -2.86 -0.25 0.00 -0.03 0.00 0.00 56.01 52.78 1bjm n LEU 184 Cb 0.51 0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 42.39 1bjm n LEU 184 CO 0.40 -0.43 -0.13 0.42 -1.33 0.00 0.00 177.39 176.32 1bjm s THR 185 N -2.89 5.04 0.51 -5.08 -4.23 -1.26 -3.83 115.64 103.89 1bjm s THR 185 Ca 0.15 -0.88 0.37 0.00 -1.18 0.00 0.00 61.69 60.15 1bjm s THR 185 Cb 0.01 -3.62 0.39 0.00 1.34 0.00 0.00 72.50 70.62 1bjm s THR 185 CO 0.11 -0.15 2.23 1.55 -0.54 0.00 0.00 174.62 177.82 1bjm h PRO 186 N 2.04 0.00 -0.06 3.99 0.13 -1.85 0.13 132.00 136.37 1bjm h PRO 186 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1bjm h PRO 186 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bjm h PRO 186 CO 0.66 0.02 -0.01 1.49 -0.23 0.00 0.00 178.00 179.93 1bjm h GLU 187 N 0.00 0.11 -0.33 0.86 4.57 -1.98 -2.59 114.58 115.22 1bjm h GLU 187 Ca -0.00 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 1bjm h GLU 187 Cb 0.15 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1bjm h GLU 187 CO 0.00 0.43 -0.19 1.96 -1.18 0.00 0.00 179.01 180.03 1bjm h GLN 188 N -0.22 0.70 -0.29 1.92 4.20 -1.39 -2.79 115.11 117.25 1bjm h GLN 188 Ca 0.02 -0.32 0.06 0.00 0.06 0.00 0.00 58.65 58.46 1bjm h GLN 188 Cb 0.38 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1bjm h GLN 188 CO 0.00 0.93 -0.09 2.35 -0.67 0.00 0.00 178.83 181.35 1bjm h TRP 189 N 0.47 -0.20 -0.15 2.96 -0.00 -0.87 -3.12 115.95 115.04 1bjm h TRP 189 Ca 0.07 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.96 1bjm h TRP 189 Cb 0.73 0.14 -0.00 0.00 -0.00 0.00 0.00 29.16 30.02 1bjm h TRP 189 CO 0.06 -0.15 -0.02 0.87 -0.00 0.00 0.00 178.44 179.21 1bjm h LYS 190 N -0.03 0.27 -0.00 2.65 1.79 -1.46 -3.15 116.57 116.64 1bjm h LYS 190 Ca 0.14 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1bjm h LYS 190 Cb 0.25 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1bjm h LYS 190 CO -0.31 0.53 0.16 0.66 -1.08 0.00 0.00 179.45 179.41 1bjm h SER 191 N -0.01 0.00 -2.00 0.86 4.64 -1.45 -3.42 113.55 112.17 1bjm h SER 191 Ca 0.04 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.91 1bjm h SER 191 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1bjm h SER 191 CO 0.01 0.00 -0.39 -1.00 -0.87 0.00 0.00 176.83 174.58 1bjm s HIS 192 N -4.13 3.28 0.00 4.77 3.76 -1.18 -5.02 115.29 116.77 1bjm s HIS 192 Ca -0.04 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 1bjm s HIS 192 Cb 0.11 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 32.03 1bjm s HIS 192 CO 0.34 0.23 0.00 2.89 -0.85 0.00 0.00 174.74 177.35 1bjm n ARG 193 N -1.51 2.59 -3.85 1.40 0.00 -1.26 -4.42 116.66 109.60 1bjm n ARG 193 Ca -0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.65 1bjm n ARG 193 Cb 0.58 -0.80 -0.16 0.00 -0.00 0.00 0.00 32.46 32.08 1bjm n ARG 193 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1bjm s SER 194 N -1.58 0.19 0.03 2.89 1.04 -1.26 -3.54 113.70 111.49 1bjm s SER 194 Ca 0.00 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.48 1bjm s SER 194 Cb 0.00 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 1bjm s SER 194 CO 0.00 -0.09 -0.14 -0.31 0.98 0.00 0.00 173.24 173.68 1bjm s TYR 195 N 0.85 1.19 -0.14 5.02 2.02 1.52 -1.74 117.35 126.07 1bjm s TYR 195 Ca -0.08 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.13 1bjm s TYR 195 Cb -0.11 -0.72 0.04 0.00 -0.40 0.00 0.00 41.96 40.78 1bjm s TYR 195 CO -0.02 0.02 0.43 -1.54 -1.57 0.00 0.00 175.55 172.88 1bjm s SER 196 N -1.04 -0.43 -0.22 2.29 1.04 -0.55 0.34 113.70 115.12 1bjm s SER 196 Ca 0.02 0.78 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 1bjm s SER 196 Cb -0.07 0.81 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 1bjm s SER 196 CO 0.01 -0.20 0.02 0.00 0.98 0.00 0.00 173.24 174.04 1bjm s GLN 198 N 1.34 2.25 -0.18 0.00 0.74 0.83 -0.86 119.66 123.78 1bjm s GLN 198 Ca 0.04 -0.65 -0.03 0.00 0.05 0.00 0.00 55.36 54.77 1bjm s GLN 198 Cb -0.15 -2.21 -0.02 0.00 1.10 0.00 0.00 33.01 31.73 1bjm s GLN 198 CO 0.01 -0.29 -0.06 0.08 -0.55 0.00 0.00 175.29 174.48 1bjm s VAL 199 N 1.45 3.46 -0.16 1.34 1.01 0.32 -1.44 120.40 126.38 1bjm s VAL 199 Ca 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1bjm s VAL 199 Cb -0.14 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1bjm s VAL 199 CO -0.10 0.47 -0.05 -0.89 0.00 0.00 0.00 175.10 174.53 1bjm s THR 200 N 0.82 3.73 -0.04 3.92 2.01 -0.75 -1.63 115.64 123.70 1bjm s THR 200 Ca -0.02 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 1bjm s THR 200 Cb -0.15 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.76 1bjm s THR 200 CO 0.01 0.48 0.10 -2.28 -0.69 0.00 0.00 174.62 172.24 1bjm s HIS 201 N 0.55 -0.09 -0.80 4.92 5.04 0.48 -1.73 115.29 123.65 1bjm s HIS 201 Ca -0.04 0.32 -0.17 0.00 -1.54 0.00 0.00 55.06 53.63 1bjm s HIS 201 Cb -0.14 -0.11 0.02 0.00 0.04 0.00 0.00 32.58 32.39 1bjm s HIS 201 CO 0.03 -0.12 0.48 0.39 -2.34 0.00 0.00 174.74 173.18 1bjm n GLU 202 N 3.96 -0.67 -1.28 2.88 -0.58 -1.26 -1.32 120.64 122.37 1bjm n GLU 202 Ca -0.24 0.13 -0.10 0.00 -0.42 0.00 0.00 57.16 56.53 1bjm n GLU 202 Cb 0.53 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.77 1bjm n GLU 202 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bjm n GLY 203 N -1.65 1.05 3.05 0.62 0.00 -1.26 -4.99 105.19 102.01 1bjm n GLY 203 Ca -0.14 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1bjm n GLY 203 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bjm s SER 204 N -2.55 1.35 -0.08 1.61 0.15 -0.43 -5.15 113.70 108.60 1bjm s SER 204 Ca 0.00 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.47 1bjm s SER 204 Cb 0.00 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1bjm s SER 204 CO 0.00 0.11 -0.18 -0.89 1.20 0.00 0.00 173.24 173.48 1bjm s THR 205 N -0.08 1.60 -0.05 6.45 2.01 -1.26 -0.39 115.64 123.92 1bjm s THR 205 Ca 0.01 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.29 1bjm s THR 205 Cb -0.06 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 1bjm s THR 205 CO 0.00 0.46 -0.18 0.54 -0.69 0.00 0.00 174.62 174.75 1bjm s VAL 206 N 0.40 1.50 -0.05 3.82 0.11 -0.65 -4.98 120.40 120.56 1bjm s VAL 206 Ca -0.14 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1bjm s VAL 206 Cb -0.16 -1.30 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 1bjm s VAL 206 CO 0.06 0.43 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.41 1bjm s GLU 207 N 0.13 1.66 -0.07 1.54 2.12 -1.26 -0.52 118.70 122.30 1bjm s GLU 207 Ca -0.07 -0.51 0.05 0.00 0.36 0.00 0.00 54.97 54.80 1bjm s GLU 207 Cb -0.13 -1.43 -0.01 0.00 0.26 0.00 0.00 34.13 32.83 1bjm s GLU 207 CO 0.03 0.16 -0.24 0.15 -0.54 0.00 0.00 175.26 174.82 1bjm s LYS 208 N 0.24 2.69 0.07 4.30 1.02 -0.04 -4.99 119.74 123.02 1bjm s LYS 208 Ca -0.07 -0.89 0.08 0.00 0.02 0.00 0.00 55.97 55.11 1bjm s LYS 208 Cb -0.12 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1bjm s LYS 208 CO 0.03 0.34 -0.20 0.95 -0.92 0.00 0.00 175.35 175.55 1bjm s THR 209 N -0.05 2.69 0.02 2.17 -4.23 -1.26 -1.06 115.64 113.92 1bjm s THR 209 Ca -0.07 -1.34 0.07 0.00 -1.18 0.00 0.00 61.69 59.17 1bjm s THR 209 Cb -0.15 -2.16 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 1bjm s THR 209 CO 0.05 0.26 -0.20 0.54 -0.54 0.00 0.00 174.62 174.73 1bjm s VAL 210 N -0.98 1.58 -0.05 2.29 0.11 1.06 -4.90 120.40 119.50 1bjm s VAL 210 Ca 0.15 -1.06 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1bjm s VAL 210 Cb -0.10 -1.36 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1bjm s VAL 210 CO 0.06 0.26 -0.09 0.00 -3.33 0.00 0.00 175.10 172.00 1bjm s ALA 211 N -0.69 1.02 -0.99 1.54 0.00 -1.26 0.44 121.76 121.82 1bjm s ALA 211 Ca 0.07 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1bjm s ALA 211 Cb -0.08 -0.47 -0.22 0.00 0.00 0.00 0.00 23.12 22.34 1bjm s ALA 211 CO 0.01 0.09 2.66 -2.30 0.00 0.00 0.00 175.76 176.22 1bjm n PRO 212 N 3.76 0.00 -1.41 0.00 -0.02 -1.23 -4.38 135.00 131.72 1bjm n PRO 212 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1bjm n PRO 212 Cb 0.52 -1.47 -0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1bjm n PRO 212 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1bjm n THR 213 N 7.37 -2.00 -3.15 3.45 -2.24 -1.26 -5.05 114.28 111.41 1bjm n THR 213 Ca 0.66 1.00 0.06 0.00 -2.27 0.00 0.00 64.05 63.50 1bjm n THR 213 Cb 0.03 -1.67 -0.01 0.00 -2.10 0.00 0.00 70.33 66.58 1bjm n THR 213 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1bjm s GLU 214 N -4.98 0.07 0.00 -0.78 0.41 -1.26 -5.16 118.70 107.00 1bjm s GLU 214 Ca 0.00 0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.67 1bjm s GLU 214 Cb 0.00 0.06 0.00 0.00 -1.78 0.00 0.00 34.13 32.41 1bjm s GLU 214 CO 0.00 -0.11 0.00 0.00 -0.49 0.00 0.00 175.26 174.66