#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjh s SER 2 N 0.00 6.39 0.22 -1.84 1.04 -1.26 -5.00 113.70 113.25 1sjh s SER 2 Ca 0.00 0.75 -0.32 0.00 0.48 0.00 0.00 55.95 56.86 1sjh s SER 2 Cb 0.00 -2.16 -0.13 0.00 0.10 0.00 0.00 66.02 63.83 1sjh s SER 2 CO 0.00 -0.31 1.61 1.67 0.98 0.00 0.00 173.24 177.19 1sjh n GLN 3 N -1.41 2.51 -2.01 4.02 7.27 -0.74 -4.90 117.38 122.11 1sjh n GLN 3 Ca -0.01 0.90 -0.41 0.00 0.07 0.00 0.00 57.00 57.54 1sjh n GLN 3 Cb 0.55 -2.69 -0.02 0.00 2.41 0.00 0.00 30.24 30.49 1sjh n GLN 3 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1sjh s PRO 4 N 0.48 4.27 0.76 3.69 0.02 -1.26 -4.61 135.00 138.34 1sjh s PRO 4 Ca 0.72 2.31 -0.14 0.00 0.02 0.00 0.00 61.00 63.91 1sjh s PRO 4 Cb -0.56 -3.09 0.06 0.00 0.02 0.00 0.00 34.50 30.92 1sjh s PRO 4 CO 0.40 -0.39 1.19 -0.51 -0.33 0.00 0.00 177.00 177.36 1sjh s ASP 5 N 0.17 4.03 0.53 2.53 -0.00 -1.26 -4.97 116.67 117.71 1sjh s ASP 5 Ca 0.57 2.29 -0.17 0.00 -0.00 0.00 0.00 52.55 55.24 1sjh s ASP 5 Cb -0.42 -2.58 -0.07 0.00 -0.00 0.00 0.00 42.92 39.85 1sjh s ASP 5 CO 0.46 -2.37 1.00 -2.16 -0.00 0.00 0.00 175.17 172.11 1sjh s PRO 6 N -4.09 3.81 0.13 8.23 0.04 -1.26 -5.08 135.00 136.77 1sjh s PRO 6 Ca 0.72 1.04 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1sjh s PRO 6 Cb -0.27 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1sjh s PRO 6 CO 0.48 -0.39 0.08 -1.64 0.04 0.00 0.00 177.00 175.56 1sjh s MET 7 N -4.00 2.76 0.32 4.56 -1.94 -1.26 -4.97 119.30 114.77 1sjh s MET 7 Ca 0.60 -0.84 0.08 0.00 -1.71 0.00 0.00 55.69 53.83 1sjh s MET 7 Cb -0.12 -2.61 0.93 0.00 2.01 0.00 0.00 34.83 35.04 1sjh s MET 7 CO 0.31 0.51 1.61 -1.35 -0.01 0.00 0.00 175.02 176.10 1sjh h PRO 8 N 2.90 0.10 0.00 2.03 0.11 -1.98 1.14 132.00 136.31 1sjh h PRO 8 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sjh h PRO 8 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1sjh h PRO 8 CO 0.63 0.07 0.00 -0.44 -0.21 0.00 0.00 178.00 178.05 1sjh h ASP 9 N 0.11 0.00 1.26 -2.05 5.19 -2.02 -2.17 116.42 116.74 1sjh h ASP 9 Ca 0.66 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.07 1sjh h ASP 9 Cb 1.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.01 1sjh h ASP 9 CO -0.76 0.00 -0.21 0.47 -3.12 0.00 0.00 179.24 175.61 1sjh n ASP 10 N -3.08 0.77 -4.88 6.45 10.43 0.39 -4.89 116.55 121.75 1sjh n ASP 10 Ca -0.01 0.42 -0.33 0.00 2.57 0.00 0.00 54.79 57.44 1sjh n ASP 10 Cb 0.17 -0.47 -0.05 0.00 1.84 0.00 0.00 41.12 42.61 1sjh n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1sjh s LEU 11 N -4.42 4.25 0.40 0.64 1.43 -0.82 -4.92 118.68 115.25 1sjh s LEU 11 Ca 0.09 0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 53.22 1sjh s LEU 11 Cb 0.13 -2.61 -0.09 0.00 0.03 0.00 0.00 46.19 43.66 1sjh s LEU 11 CO 0.64 0.24 1.15 -1.00 0.23 0.00 0.00 176.35 177.61 1sjh s HIS 12 N -1.34 3.11 -0.15 0.29 3.76 -1.26 -5.02 115.29 114.67 1sjh s HIS 12 Ca 0.28 1.57 -0.02 0.00 -0.15 0.00 0.00 55.06 56.74 1sjh s HIS 12 Cb -0.13 -3.35 -0.02 0.00 1.11 0.00 0.00 32.58 30.19 1sjh s HIS 12 CO 0.20 -1.20 -0.07 0.15 -0.85 0.00 0.00 174.74 172.96 1sjh s LYS 13 N -2.30 3.55 0.55 1.40 3.01 -1.26 -4.41 119.74 120.28 1sjh s LYS 13 Ca 0.57 -0.59 0.28 0.00 -1.01 0.00 0.00 55.97 55.22 1sjh s LYS 13 Cb -0.29 -2.83 1.61 0.00 -1.01 0.00 0.00 37.83 35.31 1sjh s LYS 13 CO 0.37 0.19 2.15 0.66 0.51 0.00 0.00 175.35 179.23 1sjh h SER 14 N 6.84 0.00 0.98 2.83 4.64 -1.33 -0.22 113.55 127.28 1sjh h SER 14 Ca -0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1sjh h SER 14 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1sjh h SER 14 CO 0.60 0.07 -0.07 0.77 -0.87 0.00 0.00 176.83 177.33 1sjh h SER 15 N 0.00 0.00 0.04 4.97 4.64 -1.89 -2.23 113.55 119.08 1sjh h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sjh h SER 15 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1sjh h SER 15 CO 0.01 0.07 -0.13 -0.62 -0.87 0.00 0.00 176.83 175.29 1sjh n GLU 16 N -3.21 1.56 -3.77 4.77 1.02 -0.11 -4.80 120.64 116.11 1sjh n GLU 16 Ca 0.00 -1.10 -0.36 0.00 -0.02 0.00 0.00 57.16 55.69 1sjh n GLU 16 Cb 0.34 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 1sjh n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1sjh s PHE 17 N -2.19 3.20 -0.50 -0.32 5.36 -0.84 -1.79 117.98 120.89 1sjh s PHE 17 Ca 0.29 -0.05 0.12 0.00 -0.96 0.00 0.00 56.93 56.33 1sjh s PHE 17 Cb 0.20 -2.23 0.33 0.00 -0.34 0.00 0.00 43.02 40.98 1sjh s PHE 17 CO 0.41 -0.10 1.26 0.25 -1.46 0.00 0.00 175.22 175.58 1sjh n THR 18 N 4.47 1.47 -0.60 0.12 -2.24 0.30 -4.92 114.28 112.88 1sjh n THR 18 Ca -0.16 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 1sjh n THR 18 Cb 0.52 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1sjh n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjh n GLY 19 N -0.10 0.85 3.47 3.38 0.00 -1.24 -4.80 105.19 106.75 1sjh n GLY 19 Ca 0.13 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1sjh n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjh s THR 20 N 1.03 5.06 -0.04 2.61 2.01 -1.26 -4.68 115.64 120.36 1sjh s THR 20 Ca 0.00 -0.50 0.29 0.00 0.31 0.00 0.00 61.69 61.78 1sjh s THR 20 Cb 0.00 -3.71 0.29 0.00 0.01 0.00 0.00 72.50 69.10 1sjh s THR 20 CO 0.00 -0.14 1.87 -0.03 -0.69 0.00 0.00 174.62 175.63 1sjh h MET 21 N 8.51 0.00 0.00 4.92 4.05 -1.51 -1.12 114.93 129.78 1sjh h MET 21 Ca -0.29 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.12 1sjh h MET 21 Cb 1.13 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1sjh h MET 21 CO 0.67 0.00 -0.04 0.78 0.23 0.00 0.00 176.91 178.55 1sjh h GLY 22 N 0.76 0.00 2.00 1.39 0.00 0.66 -0.04 103.07 107.84 1sjh h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sjh h GLY 22 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.97 1sjh h ASN 23 N 0.00 0.00 0.08 0.19 2.35 -1.46 -0.94 115.58 115.79 1sjh h ASN 23 Ca -0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.44 1sjh h ASN 23 Cb 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1sjh h ASN 23 CO 0.01 0.00 -1.66 -0.03 -1.65 0.00 0.00 177.43 174.09 1sjh h MET 24 N 0.00 0.16 -0.95 0.81 1.85 -1.23 -3.36 114.93 112.21 1sjh h MET 24 Ca 0.00 -0.28 0.11 0.00 -0.61 0.00 0.00 59.70 58.93 1sjh h MET 24 Cb 0.77 0.10 -0.08 0.00 0.43 0.00 0.00 31.60 32.83 1sjh h MET 24 CO 0.00 1.13 0.58 -0.22 -0.40 0.00 0.00 176.91 178.00 1sjh h LYS 25 N -0.38 0.90 -0.82 0.39 3.64 -1.11 -1.90 116.57 117.28 1sjh h LYS 25 Ca -0.39 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.10 1sjh h LYS 25 Cb 1.73 -0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 33.24 1sjh h LYS 25 CO -0.03 0.59 0.38 -0.92 -2.27 0.00 0.00 179.45 177.20 1sjh h TYR 26 N 0.92 0.65 0.00 1.91 3.20 -1.31 -0.80 116.97 121.54 1sjh h TYR 26 Ca 0.47 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.37 1sjh h TYR 26 Cb 0.46 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1sjh h TYR 26 CO -0.02 0.10 0.00 -0.07 -1.64 0.00 0.00 178.16 176.52 1sjh h LEU 27 N 0.52 0.00 0.00 2.82 3.38 -1.49 -3.30 115.31 117.23 1sjh h LEU 27 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1sjh h LEU 27 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1sjh h LEU 27 CO -0.41 0.00 -0.07 -1.22 0.09 0.00 0.00 178.44 176.84 1sjh n TYR 28 N -2.37 0.00 -2.69 1.13 4.02 -0.58 -4.72 117.16 111.96 1sjh n TYR 28 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1sjh n TYR 28 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 1sjh n TYR 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1sjh s ASP 29 N -0.78 6.25 -1.43 7.72 3.68 -0.41 -3.91 116.67 127.79 1sjh s ASP 29 Ca 0.00 -0.90 -0.05 0.00 2.13 0.00 0.00 52.55 53.72 1sjh s ASP 29 Cb 0.00 -2.50 0.00 0.00 -1.45 0.00 0.00 42.92 38.97 1sjh s ASP 29 CO 0.00 -1.60 0.29 -0.67 0.13 0.00 0.00 175.17 173.32 1sjh n ASP 30 N 8.52 -0.48 -3.81 -0.34 2.03 -1.26 -4.93 116.55 116.27 1sjh n ASP 30 Ca 0.07 -1.16 -0.24 0.00 0.52 0.00 0.00 54.79 53.97 1sjh n ASP 30 Cb 0.48 -2.28 -0.17 0.00 -0.72 0.00 0.00 41.12 38.43 1sjh n ASP 30 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1sjh s HIS 31 N -4.07 0.93 0.00 -0.67 2.46 -1.26 -5.12 115.29 107.56 1sjh s HIS 31 Ca 0.08 -0.37 0.00 0.00 0.47 0.00 0.00 55.06 55.24 1sjh s HIS 31 Cb -0.04 -0.94 0.00 0.00 -0.13 0.00 0.00 32.58 31.47 1sjh s HIS 31 CO 0.94 -0.40 0.00 2.48 -2.47 0.00 0.00 174.74 175.30 1sjh n TYR 32 N 5.08 0.00 -3.83 3.88 0.18 -1.26 -4.66 117.16 116.54 1sjh n TYR 32 Ca -0.09 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.33 1sjh n TYR 32 Cb 0.50 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.39 1sjh n TYR 32 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1sjh s VAL 33 N -2.00 5.44 -0.09 -3.48 1.01 0.14 -4.96 120.40 116.46 1sjh s VAL 33 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1sjh s VAL 33 Cb 0.00 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 33.01 1sjh s VAL 33 CO 0.00 0.55 0.20 -0.55 0.00 0.00 0.00 175.10 175.30 1sjh s SER 34 N -0.46 0.11 -0.01 3.32 0.15 -1.26 -2.42 113.70 113.14 1sjh s SER 34 Ca 0.12 0.43 -0.06 0.00 0.70 0.00 0.00 55.95 57.14 1sjh s SER 34 Cb -0.12 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1sjh s SER 34 CO 0.02 -0.19 0.12 0.00 1.20 0.00 0.00 173.24 174.39 1sjh s ALA 35 N 1.66 -0.28 -0.07 5.45 0.00 -0.79 -4.98 121.76 122.75 1sjh s ALA 35 Ca -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1sjh s ALA 35 Cb -0.11 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1sjh s ALA 35 CO -0.07 -0.17 -0.16 0.99 0.00 0.00 0.00 175.76 176.35 1sjh s THR 36 N -1.00 1.44 -0.64 0.00 2.01 -1.26 -0.95 115.64 115.23 1sjh s THR 36 Ca -0.11 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1sjh s THR 36 Cb -0.06 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.18 1sjh s THR 36 CO 0.01 0.42 0.66 1.17 -0.69 0.00 0.00 174.62 176.19 1sjh n LYS 37 N 3.62 -1.72 -4.16 4.92 4.81 -0.68 -4.99 118.16 119.97 1sjh n LYS 37 Ca -0.21 1.60 -0.10 0.00 -0.87 0.00 0.00 58.31 58.73 1sjh n LYS 37 Cb 0.52 -5.06 -0.10 0.00 0.02 0.00 0.00 35.03 30.41 1sjh n LYS 37 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1sjh s VAL 38 N -2.77 0.39 -0.00 3.15 -7.23 -0.35 -4.89 120.40 108.70 1sjh s VAL 38 Ca 0.10 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 1sjh s VAL 38 Cb -0.02 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1sjh s VAL 38 CO 0.78 -0.70 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.99 1sjh s LYS 39 N -3.94 1.10 0.50 4.82 2.20 -1.26 -0.50 119.74 122.66 1sjh s LYS 39 Ca 0.17 -0.52 -0.23 0.00 -0.36 0.00 0.00 55.97 55.03 1sjh s LYS 39 Cb 0.07 -1.07 -0.07 0.00 -1.51 0.00 0.00 37.83 35.25 1sjh s LYS 39 CO -0.02 0.29 1.22 -1.13 -0.36 0.00 0.00 175.35 175.35 1sjh n SER 40 N 2.65 2.15 -0.05 1.43 3.41 -1.25 -4.74 113.62 117.22 1sjh n SER 40 Ca -0.15 1.00 0.02 0.00 -0.26 0.00 0.00 58.87 59.49 1sjh n SER 40 Cb 0.55 -1.49 -0.02 0.00 -0.26 0.00 0.00 64.21 62.99 1sjh n SER 40 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1sjh n VAL 41 N -0.80 0.00 -3.81 -3.33 0.24 0.13 -4.94 118.33 105.82 1sjh n VAL 41 Ca 0.09 -0.42 -0.06 0.00 -2.04 0.00 0.00 64.34 61.92 1sjh n VAL 41 Cb 0.43 1.02 0.03 0.00 -1.47 0.00 0.00 33.84 33.85 1sjh n VAL 41 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1sjh n ASP 42 N -0.79 -1.98 -3.64 -1.34 4.64 -1.15 -5.01 116.55 107.27 1sjh n ASP 42 Ca 0.01 -2.25 -0.07 0.00 -1.38 0.00 0.00 54.79 51.10 1sjh n ASP 42 Cb 0.08 3.27 -0.07 0.00 -1.04 0.00 0.00 41.12 43.37 1sjh n ASP 42 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1sjh s SER 43 N -3.15 -0.91 -0.09 1.67 0.15 -1.26 -0.80 113.70 109.31 1sjh s SER 43 Ca 0.18 1.47 -0.03 0.00 0.70 0.00 0.00 55.95 58.27 1sjh s SER 43 Cb -0.04 1.38 -0.01 0.00 -1.71 0.00 0.00 66.02 65.64 1sjh s SER 43 CO 0.09 -0.23 -0.06 0.15 1.20 0.00 0.00 173.24 174.38 1sjh h PHE 44 N 6.77 0.00 -2.50 3.44 3.04 -1.88 -3.48 116.94 122.34 1sjh h PHE 44 Ca -0.30 0.00 -0.57 0.00 3.98 0.00 0.00 57.97 61.08 1sjh h PHE 44 Cb 1.22 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 39.64 1sjh h PHE 44 CO 0.08 0.00 -0.63 -0.06 -2.02 0.00 0.00 178.31 175.68 1sjh s PHE 45 N -1.65 2.84 -0.49 0.41 2.99 -1.26 -5.01 117.98 115.80 1sjh s PHE 45 Ca -0.05 -0.16 0.12 0.00 0.00 0.00 0.00 56.93 56.83 1sjh s PHE 45 Cb 0.01 -1.31 0.65 0.00 0.00 0.00 0.00 43.02 42.36 1sjh s PHE 45 CO 0.08 0.56 1.34 0.36 -0.00 0.00 0.00 175.22 177.56 1sjh n LYS 46 N -0.60 0.08 -0.14 0.44 2.85 -1.26 -1.47 118.16 118.06 1sjh n LYS 46 Ca -0.08 0.56 0.11 0.00 -1.05 0.00 0.00 58.31 57.86 1sjh n LYS 46 Cb 0.57 -1.79 0.18 0.00 -0.65 0.00 0.00 35.03 33.34 1sjh n LYS 46 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 1sjh n TRP 47 N -1.91 0.38 -4.42 5.58 2.14 -1.26 -4.43 117.44 113.51 1sjh n TRP 47 Ca -0.01 -0.20 -0.21 0.00 2.07 0.00 0.00 57.50 59.15 1sjh n TRP 47 Cb 0.05 -0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.45 1sjh n TRP 47 CO 0.00 0.00 0.00 0.16 2.07 0.00 0.00 177.69 179.92 1sjh s ASP 48 N -1.53 3.03 0.01 -0.67 1.47 -0.54 -0.85 116.67 117.59 1sjh s ASP 48 Ca 0.35 -1.08 0.03 0.00 1.18 0.00 0.00 52.55 53.03 1sjh s ASP 48 Cb 0.21 -0.21 -0.01 0.00 -0.34 0.00 0.00 42.92 42.57 1sjh s ASP 48 CO 0.30 -0.16 -0.11 -0.76 0.68 0.00 0.00 175.17 175.12 1sjh s LEU 49 N -3.43 2.07 -0.14 2.11 1.43 -0.55 -4.39 118.68 115.78 1sjh s LEU 49 Ca 0.27 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1sjh s LEU 49 Cb -0.01 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 1sjh s LEU 49 CO 0.11 0.08 -0.07 -0.63 0.23 0.00 0.00 176.35 176.08 1sjh s ILE 50 N -0.43 3.62 0.25 -0.59 1.01 0.02 -0.79 121.20 124.27 1sjh s ILE 50 Ca 0.03 -0.47 0.12 0.00 0.00 0.00 0.00 60.65 60.33 1sjh s ILE 50 Cb -0.05 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1sjh s ILE 50 CO -0.00 0.52 -0.22 -0.31 0.00 0.00 0.00 174.94 174.93 1sjh s TYR 51 N 0.19 2.30 -0.68 3.97 1.51 0.79 -0.70 117.35 124.73 1sjh s TYR 51 Ca -0.04 -0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 55.51 1sjh s TYR 51 Cb -0.14 -1.05 0.15 0.00 -0.11 0.00 0.00 41.96 40.81 1sjh s TYR 51 CO 0.04 0.64 0.70 -0.80 -1.11 0.00 0.00 175.55 175.01 1sjh s ASN 52 N -3.19 6.40 -0.09 2.29 0.01 -1.26 -0.99 114.94 118.12 1sjh s ASN 52 Ca 0.26 -1.96 -0.00 0.00 -0.71 0.00 0.00 52.86 50.45 1sjh s ASN 52 Cb -0.06 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.37 1sjh s ASN 52 CO 0.13 -0.88 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.16 1sjh s ILE 53 N 1.64 0.78 0.14 0.60 1.01 -0.96 -4.99 121.20 119.41 1sjh s ILE 53 Ca 0.13 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 1sjh s ILE 53 Cb -0.20 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.38 1sjh s ILE 53 CO -0.01 0.32 0.42 -0.44 0.00 0.00 0.00 174.94 175.23 1sjh s SER 54 N 1.60 6.58 -1.11 3.58 0.01 -1.26 -3.56 113.70 119.54 1sjh s SER 54 Ca 0.01 0.74 -0.21 0.00 1.31 0.00 0.00 55.95 57.80 1sjh s SER 54 Cb -0.13 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 64.00 1sjh s SER 54 CO -0.05 0.07 1.58 -0.62 0.41 0.00 0.00 173.24 174.63 1sjh s ASP 55 N -2.15 6.52 0.22 2.44 3.68 0.49 -4.82 116.67 123.05 1sjh s ASP 55 Ca 0.39 -1.76 -0.09 0.00 2.13 0.00 0.00 52.55 53.22 1sjh s ASP 55 Cb -0.13 -2.57 0.32 0.00 -1.45 0.00 0.00 42.92 39.09 1sjh s ASP 55 CO 0.21 -1.48 1.71 0.11 0.13 0.00 0.00 175.17 175.84 1sjh h LYS 56 N 9.11 0.27 0.00 4.34 1.79 -1.95 0.32 116.57 130.45 1sjh h LYS 56 Ca 0.28 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1sjh h LYS 56 Cb 0.96 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1sjh h LYS 56 CO 1.43 0.18 0.00 1.63 -1.08 0.00 0.00 179.45 181.60 1sjh n LYS 57 N -5.12 0.00 -0.39 3.15 5.02 -1.26 -4.34 118.16 115.22 1sjh n LYS 57 Ca 0.10 0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.48 1sjh n LYS 57 Cb 0.34 -0.52 0.27 0.00 -0.02 0.00 0.00 35.03 35.11 1sjh n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sjh n LEU 58 N -0.02 3.86 -3.71 -0.35 7.99 -1.24 -5.00 117.00 118.52 1sjh n LEU 58 Ca 0.00 -2.27 -0.25 0.00 -0.01 0.00 0.00 56.01 53.48 1sjh n LEU 58 Cb 0.00 -0.44 0.03 0.00 -0.11 0.00 0.00 43.42 42.90 1sjh n LEU 58 CO 0.00 0.81 -0.10 0.29 -1.51 0.00 0.00 177.39 176.88 1sjh n LYS 59 N 0.83 -3.03 0.00 3.23 4.76 0.11 -4.90 118.16 119.16 1sjh n LYS 59 Ca 0.20 0.54 0.12 0.00 -2.87 0.00 0.00 58.31 56.29 1sjh n LYS 59 Cb 0.68 -4.71 0.10 0.00 -1.84 0.00 0.00 35.03 29.25 1sjh n LYS 59 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1sjh n ASN 60 N -2.92 1.96 -3.52 4.39 3.02 -1.26 -4.93 115.26 111.99 1sjh n ASN 60 Ca -0.21 -1.47 -0.08 0.00 -0.03 0.00 0.00 54.58 52.79 1sjh n ASN 60 Cb 0.64 0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 40.13 1sjh n ASN 60 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1sjh s TYR 61 N -2.40 -0.30 0.00 3.10 -0.85 -1.26 -4.26 117.35 111.38 1sjh s TYR 61 Ca 0.22 0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 1sjh s TYR 61 Cb 0.19 0.53 0.00 0.00 0.38 0.00 0.00 41.96 43.06 1sjh s TYR 61 CO 0.52 -0.48 0.00 -0.40 -1.52 0.00 0.00 175.55 173.67 1sjh n ASP 62 N -0.22 0.00 -4.01 -0.18 3.85 -0.25 -0.38 116.55 115.36 1sjh n ASP 62 Ca -0.07 -0.88 -0.25 0.00 -0.71 0.00 0.00 54.79 52.89 1sjh n ASP 62 Cb 0.61 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.21 1sjh n ASP 62 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1sjh s LYS 63 N 0.00 1.67 -0.10 0.11 -0.14 -1.07 -2.26 119.74 117.96 1sjh s LYS 63 Ca 0.00 -0.39 0.01 0.00 -1.36 0.00 0.00 55.97 54.22 1sjh s LYS 63 Cb 0.00 -1.42 0.02 0.00 -1.68 0.00 0.00 37.83 34.75 1sjh s LYS 63 CO 0.00 -0.01 -0.09 0.08 -0.76 0.00 0.00 175.35 174.57 1sjh s VAL 64 N 0.78 1.05 -0.19 3.17 1.01 -0.16 -1.65 120.40 124.41 1sjh s VAL 64 Ca -0.12 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1sjh s VAL 64 Cb -0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1sjh s VAL 64 CO 0.02 0.36 0.08 -0.75 0.00 0.00 0.00 175.10 174.81 1sjh s LYS 65 N 1.32 4.02 -0.14 2.72 2.20 -0.63 -0.15 119.74 129.09 1sjh s LYS 65 Ca -0.02 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.30 1sjh s LYS 65 Cb -0.14 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1sjh s LYS 65 CO -0.04 0.27 -0.22 -0.08 -0.36 0.00 0.00 175.35 174.92 1sjh s THR 66 N 0.41 2.07 -0.03 3.43 -1.32 0.03 -1.17 115.64 119.04 1sjh s THR 66 Ca 0.04 -0.97 -0.15 0.00 -1.21 0.00 0.00 61.69 59.40 1sjh s THR 66 Cb -0.12 -1.83 -0.05 0.00 -1.51 0.00 0.00 72.50 68.99 1sjh s THR 66 CO -0.00 0.55 0.40 -1.61 -2.21 0.00 0.00 174.62 171.75 1sjh s GLU 67 N 0.84 3.99 0.38 7.08 2.02 0.27 -1.48 118.70 131.81 1sjh s GLU 67 Ca -0.06 0.37 0.08 0.00 0.02 0.00 0.00 54.97 55.38 1sjh s GLU 67 Cb -0.15 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 1sjh s GLU 67 CO -0.03 0.58 0.17 -0.51 0.02 0.00 0.00 175.26 175.49 1sjh s LEU 68 N -0.71 3.18 0.46 1.80 1.43 -0.03 -1.84 118.68 122.97 1sjh s LEU 68 Ca 0.23 -0.93 0.12 0.00 -1.03 0.00 0.00 54.13 52.52 1sjh s LEU 68 Cb -0.16 -1.59 1.03 0.00 0.03 0.00 0.00 46.19 45.50 1sjh s LEU 68 CO 0.12 -0.43 2.06 0.25 0.23 0.00 0.00 176.35 178.58 1sjh h LEU 69 N 1.48 0.17 -8.05 1.79 5.85 -1.65 -3.45 115.31 111.44 1sjh h LEU 69 Ca -0.43 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1sjh h LEU 69 Cb 1.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1sjh h LEU 69 CO 0.66 0.19 0.20 0.54 -0.34 0.00 0.00 178.44 179.69 1sjh s ASN 70 N -6.92 -0.04 0.15 1.25 2.20 -1.26 -5.06 114.94 105.25 1sjh s ASN 70 Ca -0.06 -0.96 -0.13 0.00 -0.94 0.00 0.00 52.86 50.77 1sjh s ASN 70 Cb 0.17 0.78 0.02 0.00 -2.00 0.00 0.00 41.25 40.22 1sjh s ASN 70 CO 0.70 -1.50 1.65 -0.08 -2.94 0.00 0.00 177.10 174.93 1sjh h GLU 71 N 2.03 0.80 -0.99 3.55 4.81 -1.88 -2.83 114.58 120.07 1sjh h GLU 71 Ca -0.27 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 58.85 1sjh h GLU 71 Cb 1.25 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 1sjh h GLU 71 CO 0.34 0.78 0.63 -0.44 -0.73 0.00 0.00 179.01 179.59 1sjh h ASP 72 N 0.68 0.97 -0.76 1.04 3.32 -1.97 0.51 116.42 120.21 1sjh h ASP 72 Ca 0.15 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1sjh h ASP 72 Cb 0.35 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1sjh h ASP 72 CO 0.00 0.59 0.33 0.25 -1.72 0.00 0.00 179.24 178.69 1sjh h LEU 73 N 1.09 1.02 -0.42 1.55 5.85 -1.92 0.17 115.31 122.66 1sjh h LEU 73 Ca 0.45 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.84 1sjh h LEU 73 Cb 0.28 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1sjh h LEU 73 CO -0.21 0.89 -0.65 0.00 -0.34 0.00 0.00 178.44 178.14 1sjh h ALA 74 N 1.17 0.60 -0.42 1.25 0.00 -0.87 -2.95 119.26 118.03 1sjh h ALA 74 Ca 0.26 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1sjh h ALA 74 Cb 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1sjh h ALA 74 CO -0.03 0.71 -0.05 0.87 0.00 0.00 0.00 179.25 180.76 1sjh h LYS 75 N 0.40 0.70 -0.29 0.00 1.57 0.40 -0.57 116.57 118.78 1sjh h LYS 75 Ca -0.01 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1sjh h LYS 75 Cb 1.22 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1sjh h LYS 75 CO 0.12 0.75 0.13 -0.22 -0.57 0.00 0.00 179.45 179.66 1sjh h LYS 76 N 0.65 0.27 -0.01 3.15 3.64 -0.50 -3.20 116.57 120.58 1sjh h LYS 76 Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1sjh h LYS 76 Cb 0.47 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1sjh h LYS 76 CO 0.02 0.18 -0.49 0.66 -2.27 0.00 0.00 179.45 177.55 1sjh n TYR 77 N -4.98 0.00 -0.32 1.91 4.02 -1.15 -4.63 117.16 112.00 1sjh n TYR 77 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.80 1sjh n TYR 77 Cb 0.08 -0.05 -0.05 0.00 -0.02 0.00 0.00 39.34 39.30 1sjh n TYR 77 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1sjh h LYS 78 N 1.61 -0.10 -0.55 -0.72 3.64 -1.09 -1.72 116.57 117.64 1sjh h LYS 78 Ca 0.00 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1sjh h LYS 78 Cb 0.64 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 1sjh h LYS 78 CO 0.00 -0.07 0.10 -0.25 -2.27 0.00 0.00 179.45 176.96 1sjh n ASP 79 N -5.36 4.75 -4.89 4.20 8.00 -1.26 -3.81 116.55 118.17 1sjh n ASP 79 Ca 0.03 -3.12 -0.30 0.00 0.71 0.00 0.00 54.79 52.11 1sjh n ASP 79 Cb 0.33 -0.67 -0.04 0.00 -0.02 0.00 0.00 41.12 40.72 1sjh n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1sjh s GLU 80 N -2.91 3.70 -0.29 -1.24 0.41 -0.65 -5.02 118.70 112.71 1sjh s GLU 80 Ca 0.51 0.15 -0.21 0.00 -0.41 0.00 0.00 54.97 55.01 1sjh s GLU 80 Cb 0.41 -2.61 -0.01 0.00 -1.78 0.00 0.00 34.13 30.14 1sjh s GLU 80 CO 0.12 0.21 0.68 0.08 -0.49 0.00 0.00 175.26 175.86 1sjh s VAL 81 N -2.05 4.91 0.39 2.63 1.01 -1.26 -4.38 120.40 121.64 1sjh s VAL 81 Ca 0.46 1.04 0.04 0.00 0.00 0.00 0.00 61.98 63.52 1sjh s VAL 81 Cb -0.11 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1sjh s VAL 81 CO 0.28 -0.13 0.16 0.68 0.00 0.00 0.00 175.10 176.09 1sjh s VAL 82 N 2.68 0.47 0.10 2.92 -7.23 0.35 -1.44 120.40 118.25 1sjh s VAL 82 Ca 0.28 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.54 1sjh s VAL 82 Cb -0.15 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1sjh s VAL 82 CO 0.11 0.00 -0.22 -1.81 -0.31 0.00 0.00 175.10 172.87 1sjh s ASP 83 N -3.55 3.64 -0.02 4.85 1.01 0.09 -1.21 116.67 121.48 1sjh s ASP 83 Ca 0.27 -0.60 0.05 0.00 0.71 0.00 0.00 52.55 52.99 1sjh s ASP 83 Cb 0.03 -0.43 -0.01 0.00 1.01 0.00 0.00 42.92 43.51 1sjh s ASP 83 CO 0.17 0.20 -0.18 -0.69 0.21 0.00 0.00 175.17 174.88 1sjh s VAL 84 N -1.05 1.44 -0.24 -1.27 1.01 -0.13 -2.43 120.40 117.73 1sjh s VAL 84 Ca 0.16 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1sjh s VAL 84 Cb -0.10 -1.21 0.09 0.00 0.00 0.00 0.00 36.38 35.16 1sjh s VAL 84 CO 0.07 0.41 0.56 -0.47 0.00 0.00 0.00 175.10 175.68 1sjh s TYR 85 N -0.33 -0.97 -0.07 5.22 5.04 -0.43 -1.89 117.35 123.91 1sjh s TYR 85 Ca 0.05 1.87 -0.31 0.00 -2.44 0.00 0.00 57.07 56.23 1sjh s TYR 85 Cb -0.08 0.53 0.12 0.00 0.35 0.00 0.00 41.96 42.88 1sjh s TYR 85 CO -0.00 -0.51 1.37 0.20 -1.34 0.00 0.00 175.55 175.28 1sjh s GLY 86 N 2.05 -0.32 -0.28 8.97 0.00 -1.01 -4.18 107.32 112.55 1sjh s GLY 86 Ca -0.07 0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.97 1sjh s GLY 86 CO -0.17 3.77 0.31 -0.45 0.00 0.00 0.00 173.10 176.56 1sjh s SER 87 N -3.52 6.16 0.27 1.64 0.15 -1.26 -0.69 113.70 116.46 1sjh s SER 87 Ca 0.24 0.13 0.01 0.00 0.70 0.00 0.00 55.95 57.04 1sjh s SER 87 Cb 0.03 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1sjh s SER 87 CO -0.04 -0.15 0.45 0.54 1.20 0.00 0.00 173.24 175.24 1sjh s ASN 88 N 1.69 6.33 0.17 5.45 6.03 -1.26 -4.58 114.94 128.78 1sjh s ASN 88 Ca 0.12 0.33 0.04 0.00 -1.03 0.00 0.00 52.86 52.32 1sjh s ASN 88 Cb -0.16 -1.98 -0.05 0.00 -3.03 0.00 0.00 41.25 36.04 1sjh s ASN 88 CO 0.10 -0.16 -0.06 -0.72 -2.03 0.00 0.00 177.10 174.24 1sjh s TYR 89 N -2.09 1.33 0.00 1.54 1.13 -0.11 -4.94 117.35 114.22 1sjh s TYR 89 Ca 0.38 -0.85 0.00 0.00 -1.41 0.00 0.00 57.07 55.19 1sjh s TYR 89 Cb -0.10 -0.72 0.00 0.00 -1.10 0.00 0.00 41.96 40.04 1sjh s TYR 89 CO 0.32 0.00 0.00 0.66 -2.51 0.00 0.00 175.55 174.02 1sjh n TYR 90 N -0.26 0.00 -1.65 -3.49 4.02 -1.26 -1.94 117.16 112.58 1sjh n TYR 90 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.38 1sjh n TYR 90 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.91 1sjh n TYR 90 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1sjh s VAL 91 N -1.91 3.01 -0.94 -0.72 1.01 -1.26 -1.21 120.40 118.39 1sjh s VAL 91 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1sjh s VAL 91 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1sjh s VAL 91 CO 0.00 -0.00 0.14 0.59 0.00 0.00 0.00 175.10 175.82 1sjh n ASN 92 N 8.96 -3.87 -4.61 3.32 5.03 -1.26 -4.70 115.26 118.13 1sjh n ASN 92 Ca 0.23 -0.07 -0.39 0.00 0.87 0.00 0.00 54.58 55.22 1sjh n ASN 92 Cb 0.42 -2.96 -0.08 0.00 -1.02 0.00 0.00 39.78 36.14 1sjh n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sjh s TYR 94 N 2.12 0.19 0.00 0.00 2.02 -1.26 -5.02 117.35 115.40 1sjh s TYR 94 Ca 0.17 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 1sjh s TYR 94 Cb -0.16 -0.12 0.00 0.00 -0.40 0.00 0.00 41.96 41.28 1sjh s TYR 94 CO 0.10 -0.05 0.00 1.97 -1.57 0.00 0.00 175.55 175.99 1sjh n PHE 95 N 2.57 0.00 -3.76 2.71 1.16 -1.26 -5.11 117.46 113.78 1sjh n PHE 95 Ca -0.16 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.05 1sjh n PHE 95 Cb 0.58 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.33 1sjh n PHE 95 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1sjh s SER 96 N 0.00 5.11 0.08 5.98 1.04 -1.26 -5.12 113.70 119.54 1sjh s SER 96 Ca 0.00 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1sjh s SER 96 Cb 0.00 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1sjh s SER 96 CO 0.00 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1sjh n GLY 106 N 4.89 -5.37 3.82 7.32 0.00 -1.26 -4.81 105.19 109.78 1sjh n GLY 106 Ca -0.15 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1sjh n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sjh s GLY 107 N -0.55 1.61 0.21 -0.02 0.00 -1.26 -4.77 107.32 102.54 1sjh s GLY 107 Ca 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 44.72 44.50 1sjh s GLY 107 CO 0.00 0.13 -0.20 0.54 0.00 0.00 0.00 173.10 173.57 1sjh s LYS 108 N -5.23 1.48 0.06 2.90 1.02 -1.26 -1.09 119.74 117.60 1sjh s LYS 108 Ca 0.61 -1.57 -0.14 0.00 0.02 0.00 0.00 55.97 54.90 1sjh s LYS 108 Cb -0.14 -1.61 0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1sjh s LYS 108 CO 0.53 0.32 0.31 -0.08 -0.92 0.00 0.00 175.35 175.51 1sjh s THR 109 N -2.13 0.09 0.28 2.17 -1.32 -0.66 -4.87 115.64 109.19 1sjh s THR 109 Ca 0.22 -0.71 0.11 0.00 -1.21 0.00 0.00 61.69 60.10 1sjh s THR 109 Cb -0.06 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.88 1sjh s THR 109 CO 0.10 -0.39 -0.17 0.00 -2.21 0.00 0.00 174.62 171.95 1sjh n MET 111 N -0.60 0.71 -4.26 0.00 0.00 -0.32 -0.93 117.12 111.72 1sjh n MET 111 Ca -0.06 -1.55 -0.18 0.00 0.00 0.00 0.00 57.70 55.91 1sjh n MET 111 Cb 0.61 2.06 -0.13 0.00 0.00 0.00 0.00 33.22 35.76 1sjh n MET 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1sjh s TYR 112 N -2.33 1.09 0.00 3.17 1.51 -1.26 -0.57 117.35 118.96 1sjh s TYR 112 Ca 0.21 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1sjh s TYR 112 Cb -0.03 -0.64 0.00 0.00 -0.11 0.00 0.00 41.96 41.18 1sjh s TYR 112 CO 0.06 0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 1sjh n GLY 113 N 1.79 2.72 2.31 0.71 0.00 -0.77 -4.69 105.19 107.25 1sjh n GLY 113 Ca -0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1sjh n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjh n GLY 114 N 0.00 0.49 3.74 -0.02 0.00 -1.26 -4.87 105.19 103.28 1sjh n GLY 114 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1sjh n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjh s ILE 115 N -1.82 4.74 -0.11 -0.61 1.01 -1.26 -1.32 121.20 121.83 1sjh s ILE 115 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 1sjh s ILE 115 Cb 0.00 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.47 1sjh s ILE 115 CO 0.00 0.60 0.29 0.42 0.00 0.00 0.00 174.94 176.25 1sjh s THR 116 N -0.83 -0.01 0.33 2.92 -4.23 -1.02 -4.91 115.64 107.89 1sjh s THR 116 Ca 0.13 0.03 -0.29 0.00 -1.18 0.00 0.00 61.69 60.38 1sjh s THR 116 Cb -0.12 -0.42 -0.12 0.00 1.34 0.00 0.00 72.50 73.19 1sjh s THR 116 CO 0.03 0.01 1.41 1.17 -0.54 0.00 0.00 174.62 176.70 1sjh n LYS 117 N 3.20 2.36 0.06 3.99 4.81 -1.26 -0.73 118.16 130.59 1sjh n LYS 117 Ca -0.15 0.83 -0.17 0.00 -0.87 0.00 0.00 58.31 57.94 1sjh n LYS 117 Cb 0.57 -2.50 -0.14 0.00 0.02 0.00 0.00 35.03 32.98 1sjh n LYS 117 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1sjh h HIS 118 N 3.24 0.47 -0.98 5.64 -0.00 -1.53 -3.43 115.15 118.57 1sjh h HIS 118 Ca -0.47 -0.34 -0.65 0.00 -0.00 0.00 0.00 60.37 58.90 1sjh h HIS 118 Cb 1.26 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.63 1sjh h HIS 118 CO 0.53 1.41 1.45 -1.91 -0.00 0.00 0.00 177.93 179.41 1sjh n GLU 119 N -3.46 0.93 -3.58 5.26 4.07 -1.26 -2.24 120.64 120.37 1sjh n GLU 119 Ca -0.17 0.23 -0.25 0.00 -0.06 0.00 0.00 57.16 56.91 1sjh n GLU 119 Cb 1.05 -2.40 0.05 0.00 -0.06 0.00 0.00 31.44 30.08 1sjh n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sjh n GLY 120 N 6.58 -0.53 0.33 8.31 0.00 -1.26 -4.88 105.19 113.74 1sjh n GLY 120 Ca 0.43 0.21 0.03 0.00 0.00 0.00 0.00 46.02 46.70 1sjh n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sjh n ASN 121 N -2.86 2.27 -4.75 1.61 4.05 -0.95 -4.98 115.26 109.66 1sjh n ASN 121 Ca -0.00 -1.82 -0.24 0.00 0.45 0.00 0.00 54.58 52.97 1sjh n ASN 121 Cb 0.56 -0.10 -0.07 0.00 1.23 0.00 0.00 39.78 41.41 1sjh n ASN 121 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1sjh s HIS 122 N -0.88 2.64 -0.18 1.20 3.76 -1.26 -0.78 115.29 119.78 1sjh s HIS 122 Ca 0.11 -0.51 -0.07 0.00 -0.15 0.00 0.00 55.06 54.45 1sjh s HIS 122 Cb 0.06 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.86 1sjh s HIS 122 CO 0.08 0.21 0.04 -0.06 -0.85 0.00 0.00 174.74 174.17 1sjh s PHE 123 N -2.53 3.19 0.39 1.40 0.40 -1.25 -4.89 117.98 114.68 1sjh s PHE 123 Ca 0.40 -0.05 -0.26 0.00 -0.60 0.00 0.00 56.93 56.42 1sjh s PHE 123 Cb 0.01 -2.07 -0.11 0.00 0.51 0.00 0.00 43.02 41.36 1sjh s PHE 123 CO 0.23 0.06 1.24 -0.40 0.70 0.00 0.00 175.22 177.04 1sjh n ASP 124 N 3.70 2.42 -2.54 1.36 5.68 -1.26 -3.34 116.55 122.56 1sjh n ASP 124 Ca -0.17 1.14 -0.12 0.00 -0.50 0.00 0.00 54.79 55.14 1sjh n ASP 124 Cb 0.52 -1.47 0.06 0.00 -1.14 0.00 0.00 41.12 39.09 1sjh n ASP 124 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sjh n ASN 125 N 0.49 -2.88 -3.28 -1.12 5.03 -1.26 -3.61 115.26 108.63 1sjh n ASN 125 Ca 0.06 -0.38 -0.21 0.00 0.87 0.00 0.00 54.58 54.92 1sjh n ASN 125 Cb 0.38 -3.45 -0.01 0.00 -1.02 0.00 0.00 39.78 35.67 1sjh n ASN 125 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sjh n GLY 126 N -1.20 -0.48 3.69 7.41 0.00 -1.22 -4.91 105.19 108.48 1sjh n GLY 126 Ca -0.13 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1sjh n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sjh s ASN 127 N -2.61 7.25 -0.05 1.61 -0.87 -1.21 -5.04 114.94 114.02 1sjh s ASN 127 Ca 0.35 1.53 -0.05 0.00 -1.57 0.00 0.00 52.86 53.12 1sjh s ASN 127 Cb -0.19 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.45 1sjh s ASN 127 CO 0.43 -0.40 0.18 -0.76 -2.57 0.00 0.00 177.10 173.98 1sjh s LEU 128 N 1.79 4.38 -0.14 0.60 1.43 -1.26 -4.38 118.68 121.09 1sjh s LEU 128 Ca 0.48 0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 53.88 1sjh s LEU 128 Cb -0.19 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1sjh s LEU 128 CO 0.20 0.32 0.29 -1.58 0.23 0.00 0.00 176.35 175.81 1sjh s GLN 129 N -1.56 4.17 0.19 1.70 2.00 0.44 -4.88 119.66 121.71 1sjh s GLN 129 Ca 0.23 0.11 -0.15 0.00 -2.00 0.00 0.00 55.36 53.54 1sjh s GLN 129 Cb -0.12 -3.39 -0.07 0.00 0.80 0.00 0.00 33.01 30.22 1sjh s GLN 129 CO 0.13 0.32 0.61 -0.80 -0.50 0.00 0.00 175.29 175.04 1sjh s ASN 130 N 0.23 6.87 -0.06 6.67 0.01 -1.26 -1.66 114.94 125.73 1sjh s ASN 130 Ca 0.17 1.17 0.00 0.00 -0.71 0.00 0.00 52.86 53.49 1sjh s ASN 130 Cb -0.13 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.23 1sjh s ASN 130 CO 0.05 0.05 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.94 1sjh s VAL 131 N -1.55 0.66 0.19 1.60 1.01 0.31 -4.80 120.40 117.81 1sjh s VAL 131 Ca 0.41 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1sjh s VAL 131 Cb -0.15 -0.70 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 1sjh s VAL 131 CO 0.20 0.27 1.27 -0.22 0.00 0.00 0.00 175.10 176.62 1sjh s LEU 132 N 1.26 4.43 -0.09 3.92 2.96 -1.26 -1.21 118.68 128.69 1sjh s LEU 132 Ca -0.05 2.33 -0.01 0.00 -0.22 0.00 0.00 54.13 56.18 1sjh s LEU 132 Cb -0.14 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.97 1sjh s LEU 132 CO -0.02 -0.47 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.82 1sjh s VAL 133 N 0.09 0.63 -0.17 1.68 1.01 0.41 -1.61 120.40 122.44 1sjh s VAL 133 Ca 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 1sjh s VAL 133 Cb -0.35 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1sjh s VAL 133 CO 0.37 0.30 -0.06 -0.13 0.00 0.00 0.00 175.10 175.59 1sjh s ARG 134 N 1.86 3.51 -0.19 2.72 0.52 -0.46 -1.24 118.95 125.67 1sjh s ARG 134 Ca 0.05 -0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 54.58 1sjh s ARG 134 Cb -0.12 -2.89 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 1sjh s ARG 134 CO -0.06 0.09 0.10 0.08 0.02 0.00 0.00 175.30 175.53 1sjh s VAL 135 N 0.73 5.12 -0.09 3.52 1.01 0.31 -0.92 120.40 130.09 1sjh s VAL 135 Ca -0.03 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1sjh s VAL 135 Cb -0.15 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1sjh s VAL 135 CO 0.02 0.45 -0.21 -0.31 0.00 0.00 0.00 175.10 175.06 1sjh s TYR 136 N 0.33 2.60 -0.24 5.22 1.51 0.95 -0.47 117.35 127.25 1sjh s TYR 136 Ca 0.06 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.39 1sjh s TYR 136 Cb -0.12 -1.70 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1sjh s TYR 136 CO -0.01 -0.24 -0.10 -1.21 -1.11 0.00 0.00 175.55 172.88 1sjh s GLU 137 N 0.07 2.09 -1.06 -0.62 2.02 -0.11 -0.24 118.70 120.84 1sjh s GLU 137 Ca -0.09 -1.14 -0.04 0.00 0.02 0.00 0.00 54.97 53.71 1sjh s GLU 137 Cb -0.15 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.36 1sjh s GLU 137 CO 0.06 -0.53 0.91 0.09 0.02 0.00 0.00 175.26 175.80 1sjh n ASN 138 N 4.55 -4.11 0.00 -0.19 3.02 0.08 -2.87 115.26 115.74 1sjh n ASN 138 Ca -0.14 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1sjh n ASN 138 Cb 0.44 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 1sjh n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sjh n LYS 139 N -3.93 -0.14 -5.20 3.52 5.02 -1.26 -5.01 118.16 111.15 1sjh n LYS 139 Ca -0.09 0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 1sjh n LYS 139 Cb 0.59 -3.09 -0.17 0.00 -0.02 0.00 0.00 35.03 32.34 1sjh n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sjh s ARG 140 N -0.29 2.94 -0.12 1.97 0.52 -1.14 -5.05 118.95 117.79 1sjh s ARG 140 Ca 0.00 -0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 54.05 1sjh s ARG 140 Cb 0.00 -2.29 -0.06 0.00 0.52 0.00 0.00 34.95 33.12 1sjh s ARG 140 CO 0.00 0.24 2.05 1.21 0.02 0.00 0.00 175.30 178.82 1sjh s ASN 141 N 0.20 5.95 -0.26 0.23 2.47 -1.26 -0.94 114.94 121.33 1sjh s ASN 141 Ca -0.14 2.16 -0.07 0.00 0.42 0.00 0.00 52.86 55.22 1sjh s ASN 141 Cb -0.17 -2.52 -0.15 0.00 -1.45 0.00 0.00 41.25 36.96 1sjh s ASN 141 CO 0.07 -1.53 -0.24 0.35 -3.72 0.00 0.00 177.10 172.03 1sjh n THR 142 N 6.74 1.52 -3.90 -5.21 -2.24 0.38 -4.94 114.28 106.65 1sjh n THR 142 Ca 0.25 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 1sjh n THR 142 Cb 0.44 -1.68 -0.10 0.00 -2.10 0.00 0.00 70.33 66.89 1sjh n THR 142 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1sjh s ILE 143 N -2.51 0.10 0.03 2.28 -4.36 -1.21 -5.04 121.20 110.49 1sjh s ILE 143 Ca -0.36 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.25 1sjh s ILE 143 Cb 0.12 -0.49 -0.02 0.00 1.25 0.00 0.00 42.46 43.31 1sjh s ILE 143 CO 0.56 -0.45 -0.11 -0.44 0.24 0.00 0.00 174.94 174.74 1sjh s SER 144 N -1.55 1.23 0.00 4.36 0.01 -1.26 -0.53 113.70 115.96 1sjh s SER 144 Ca -0.13 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1sjh s SER 144 Cb -0.07 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1sjh s SER 144 CO -0.00 -0.03 0.00 2.22 0.41 0.00 0.00 173.24 175.84 1sjh n PHE 145 N 1.97 -0.92 -4.03 2.43 -1.74 -0.37 -5.02 117.46 109.77 1sjh n PHE 145 Ca -0.18 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.60 1sjh n PHE 145 Cb 0.55 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.44 1sjh n PHE 145 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1sjh s GLU 146 N -1.90 0.45 0.28 3.97 2.02 -1.26 -0.45 118.70 121.81 1sjh s GLU 146 Ca 0.00 -0.77 0.10 0.00 0.02 0.00 0.00 54.97 54.32 1sjh s GLU 146 Cb 0.00 -0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.16 1sjh s GLU 146 CO 0.00 -0.02 -0.03 0.14 0.02 0.00 0.00 175.26 175.37 1sjh s VAL 147 N -1.85 3.15 0.16 2.63 -7.23 -0.35 -4.86 120.40 112.05 1sjh s VAL 147 Ca -0.10 -1.99 0.10 0.00 -1.81 0.00 0.00 61.98 58.18 1sjh s VAL 147 Cb -0.07 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1sjh s VAL 147 CO -0.02 -0.34 -0.23 -1.10 -0.31 0.00 0.00 175.10 173.10 1sjh s GLN 148 N -3.66 1.39 -0.03 4.82 -0.21 -1.26 -0.53 119.66 120.18 1sjh s GLN 148 Ca 0.32 -1.42 -0.13 0.00 0.02 0.00 0.00 55.36 54.15 1sjh s GLN 148 Cb -0.05 -1.68 0.02 0.00 1.00 0.00 0.00 33.01 32.30 1sjh s GLN 148 CO 0.19 0.37 0.29 -0.08 -2.12 0.00 0.00 175.29 173.94 1sjh s THR 149 N -1.56 0.05 -2.08 -0.19 -1.32 -0.66 -4.95 115.64 104.93 1sjh s THR 149 Ca 0.16 -0.44 0.17 0.00 -1.21 0.00 0.00 61.69 60.37 1sjh s THR 149 Cb -0.08 -0.57 0.44 0.00 -1.51 0.00 0.00 72.50 70.78 1sjh s THR 149 CO 0.08 -0.24 1.39 -0.90 -2.21 0.00 0.00 174.62 172.74 1sjh n ASP 150 N 1.51 2.60 -4.45 8.08 5.75 -1.26 -0.42 116.55 128.36 1sjh n ASP 150 Ca -0.21 -1.96 -0.32 0.00 -0.01 0.00 0.00 54.79 52.29 1sjh n ASP 150 Cb 0.56 -0.30 -0.13 0.00 -1.03 0.00 0.00 41.12 40.22 1sjh n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1sjh s LYS 151 N -1.41 2.30 -0.03 0.11 1.02 -1.26 -3.89 119.74 116.58 1sjh s LYS 151 Ca 0.34 -0.83 -0.24 0.00 0.02 0.00 0.00 55.97 55.26 1sjh s LYS 151 Cb 0.18 -2.27 -0.22 0.00 -0.52 0.00 0.00 37.83 35.00 1sjh s LYS 151 CO 0.24 0.59 1.09 0.87 -0.92 0.00 0.00 175.35 177.21 1sjh h LYS 152 N 5.05 0.21 -4.49 1.68 1.57 -1.30 -3.39 116.57 115.88 1sjh h LYS 152 Ca -0.46 -0.19 -0.71 0.00 -1.87 0.00 0.00 60.65 57.42 1sjh h LYS 152 Cb 1.15 0.05 -0.30 0.00 0.08 0.00 0.00 32.23 33.21 1sjh h LYS 152 CO 0.49 0.88 -0.51 0.45 -0.57 0.00 0.00 179.45 180.20 1sjh s SER 153 N -6.28 5.48 0.15 0.86 0.15 -1.26 -0.76 113.70 112.04 1sjh s SER 153 Ca -0.15 -1.58 0.08 0.00 0.70 0.00 0.00 55.95 55.00 1sjh s SER 153 Cb 0.02 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1sjh s SER 153 CO 0.75 -0.51 -0.09 0.54 1.20 0.00 0.00 173.24 175.13 1sjh s VAL 154 N 1.35 3.30 0.47 4.45 0.11 -0.56 -4.89 120.40 124.64 1sjh s VAL 154 Ca 0.03 -1.50 -0.21 0.00 -2.93 0.00 0.00 61.98 57.37 1sjh s VAL 154 Cb -0.23 -2.61 -0.08 0.00 -1.53 0.00 0.00 36.38 31.94 1sjh s VAL 154 CO 0.01 -0.03 1.05 0.42 -3.33 0.00 0.00 175.10 173.21 1sjh s THR 155 N -1.53 3.71 0.39 5.04 -4.23 -1.26 -0.47 115.64 117.28 1sjh s THR 155 Ca 0.24 1.12 0.07 0.00 -1.18 0.00 0.00 61.69 61.94 1sjh s THR 155 Cb -0.10 -3.48 0.21 0.00 1.34 0.00 0.00 72.50 70.48 1sjh s THR 155 CO 0.15 -0.18 1.98 0.00 -0.54 0.00 0.00 174.62 176.03 1sjh h ALA 156 N 1.73 1.58 -0.45 3.99 0.00 -1.28 -2.71 119.26 122.11 1sjh h ALA 156 Ca -0.49 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.36 1sjh h ALA 156 Cb 1.22 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1sjh h ALA 156 CO 0.60 0.33 0.15 0.37 0.00 0.00 0.00 179.25 180.70 1sjh h GLN 157 N 0.47 0.31 -0.17 0.00 4.15 -1.91 0.52 115.11 118.48 1sjh h GLN 157 Ca 0.11 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1sjh h GLN 157 Cb 0.14 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1sjh h GLN 157 CO -0.01 0.21 0.11 1.49 -1.93 0.00 0.00 178.83 178.70 1sjh h GLU 158 N 0.32 0.22 -0.40 1.69 4.81 -1.74 0.21 114.58 119.70 1sjh h GLU 158 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1sjh h GLU 158 Cb 0.21 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1sjh h GLU 158 CO -0.22 0.15 0.20 -0.07 -0.73 0.00 0.00 179.01 178.34 1sjh h LEU 159 N 0.23 0.51 0.21 1.64 3.38 -1.43 -2.27 115.31 117.57 1sjh h LEU 159 Ca 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sjh h LEU 159 Cb -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1sjh h LEU 159 CO -0.01 0.48 -0.31 -0.78 0.09 0.00 0.00 178.44 177.90 1sjh h ASP 160 N 0.50 -0.88 -0.61 -0.43 -0.00 -0.64 -0.36 116.42 114.00 1sjh h ASP 160 Ca 0.14 0.09 0.12 0.00 -0.00 0.00 0.00 57.03 57.38 1sjh h ASP 160 Cb 0.10 0.32 -0.10 0.00 -0.00 0.00 0.00 39.33 39.64 1sjh h ASP 160 CO -0.02 -0.42 0.00 0.40 -0.00 0.00 0.00 179.24 179.20 1sjh h ILE 161 N -0.59 0.51 -0.13 2.25 2.04 -0.84 -0.60 117.51 120.14 1sjh h ILE 161 Ca 0.01 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1sjh h ILE 161 Cb 0.58 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1sjh h ILE 161 CO -0.13 0.02 -0.21 0.11 0.00 0.00 0.00 178.15 177.95 1sjh h LYS 162 N 0.12 0.23 -0.10 2.37 1.57 -0.94 -0.28 116.57 119.54 1sjh h LYS 162 Ca 0.32 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1sjh h LYS 162 Cb 0.51 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1sjh h LYS 162 CO -0.51 0.43 -0.05 0.00 -0.57 0.00 0.00 179.45 178.75 1sjh h ALA 163 N 1.58 0.14 -0.04 3.86 0.00 0.38 -2.74 119.26 122.45 1sjh h ALA 163 Ca 0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1sjh h ALA 163 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1sjh h ALA 163 CO 0.03 -0.09 -0.43 0.00 0.00 0.00 0.00 179.25 178.76 1sjh h ARG 164 N -0.16 0.09 -0.37 0.00 3.08 -1.02 -1.57 114.38 114.44 1sjh h ARG 164 Ca 0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1sjh h ARG 164 Cb 0.50 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1sjh h ARG 164 CO 0.01 0.50 0.18 -0.97 -1.07 0.00 0.00 179.97 178.62 1sjh h ASN 165 N 0.08 0.48 -0.21 7.04 -1.24 -1.02 -0.44 115.58 120.27 1sjh h ASN 165 Ca 0.00 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 56.89 1sjh h ASN 165 Cb 0.79 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 1sjh h ASN 165 CO 0.06 0.47 0.12 0.15 -1.29 0.00 0.00 177.43 176.93 1sjh h PHE 166 N 0.45 0.29 0.00 0.67 3.57 -1.19 -2.92 116.94 117.81 1sjh h PHE 166 Ca 0.13 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1sjh h PHE 166 Cb 0.12 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1sjh h PHE 166 CO -0.02 0.26 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.04 1sjh h LEU 167 N 0.23 0.00 -0.35 0.59 3.38 -1.07 -1.56 115.31 116.53 1sjh h LEU 167 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1sjh h LEU 167 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1sjh h LEU 167 CO -0.01 0.21 -0.20 0.40 0.09 0.00 0.00 178.44 178.93 1sjh h ILE 168 N 0.00 1.29 -0.00 1.22 2.04 -0.90 0.28 117.51 121.43 1sjh h ILE 168 Ca -0.00 -1.33 -0.17 0.00 1.00 0.00 0.00 64.86 64.36 1sjh h ILE 168 Cb 0.45 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1sjh h ILE 168 CO 0.03 0.44 -0.79 0.78 0.00 0.00 0.00 178.15 178.61 1sjh h ASN 169 N 0.54 0.08 -0.00 1.72 2.35 -1.34 -2.56 115.58 116.37 1sjh h ASN 169 Ca 0.08 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1sjh h ASN 169 Cb 0.75 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1sjh h ASN 169 CO 0.06 0.83 -0.48 0.29 -1.65 0.00 0.00 177.43 176.48 1sjh n LYS 170 N -3.65 3.17 0.00 0.81 5.02 -0.61 -4.64 118.16 118.25 1sjh n LYS 170 Ca -0.02 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1sjh n LYS 170 Cb 0.75 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 1sjh n LYS 170 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sjh n LYS 171 N -1.10 0.21 -4.06 1.97 4.76 0.91 -5.01 118.16 115.85 1sjh n LYS 171 Ca 0.02 -0.49 -0.33 0.00 -2.87 0.00 0.00 58.31 54.65 1sjh n LYS 171 Cb 0.18 -0.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.82 1sjh n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1sjh n ASN 172 N -0.04 -3.91 -0.33 4.39 3.02 -0.79 -4.80 115.26 112.80 1sjh n ASN 172 Ca 0.00 -0.89 0.22 0.00 -0.03 0.00 0.00 54.58 53.87 1sjh n ASN 172 Cb 0.43 -3.34 0.42 0.00 -0.61 0.00 0.00 39.78 36.67 1sjh n ASN 172 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sjh h LEU 173 N -1.81 0.00 -8.11 3.41 5.85 -1.62 -3.39 115.31 109.65 1sjh h LEU 173 Ca -0.59 0.25 -0.37 0.00 0.84 0.00 0.00 57.88 58.01 1sjh h LEU 173 Cb 1.38 0.33 -0.26 0.00 0.37 0.00 0.00 40.66 42.48 1sjh h LEU 173 CO 0.72 -0.33 -0.77 -0.31 -0.34 0.00 0.00 178.44 177.41 1sjh s TYR 174 N -5.78 0.83 0.42 1.25 4.12 -1.26 -4.51 117.35 112.42 1sjh s TYR 174 Ca -0.11 -0.25 0.04 0.00 0.02 0.00 0.00 57.07 56.77 1sjh s TYR 174 Cb 0.30 -0.52 -0.02 0.00 -1.52 0.00 0.00 41.96 40.21 1sjh s TYR 174 CO 0.78 -0.01 0.13 -1.21 0.02 0.00 0.00 175.55 175.25 1sjh s GLU 175 N -0.65 1.96 0.13 -0.62 2.02 -0.99 -4.95 118.70 115.60 1sjh s GLU 175 Ca 0.00 -2.20 -0.25 0.00 0.02 0.00 0.00 54.97 52.55 1sjh s GLU 175 Cb -0.05 -0.64 -0.02 0.00 0.10 0.00 0.00 34.13 33.51 1sjh s GLU 175 CO 0.00 -0.48 1.63 0.35 0.02 0.00 0.00 175.26 176.78 1sjh h PHE 176 N 1.75 -0.69 -3.66 1.61 3.57 -1.94 -2.86 116.94 114.74 1sjh h PHE 176 Ca -0.35 0.03 -0.63 0.00 3.53 0.00 0.00 57.97 60.54 1sjh h PHE 176 Cb 1.28 0.32 -0.37 0.00 2.79 0.00 0.00 35.95 39.96 1sjh h PHE 176 CO 1.54 -0.34 -0.80 0.54 -2.23 0.00 0.00 178.31 177.03 1sjh s ASN 177 N -4.95 3.94 0.11 0.41 2.20 -1.26 0.82 114.94 116.20 1sjh s ASN 177 Ca -0.15 -1.18 0.00 0.00 -0.94 0.00 0.00 52.86 50.59 1sjh s ASN 177 Cb 0.10 -1.32 0.00 0.00 -2.00 0.00 0.00 41.25 38.04 1sjh s ASN 177 CO 0.67 -0.20 0.00 -1.20 -2.94 0.00 0.00 177.10 173.43 1sjh n SER 178 N 4.60 -2.42 -4.18 3.54 7.64 -1.26 -4.87 113.62 116.66 1sjh n SER 178 Ca -0.13 0.20 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 1sjh n SER 178 Cb 0.44 -1.26 -0.10 0.00 -1.01 0.00 0.00 64.21 62.28 1sjh n SER 178 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1sjh s SER 179 N -4.16 1.30 0.39 6.43 0.15 -1.26 -2.35 113.70 114.20 1sjh s SER 179 Ca 0.00 -0.96 0.28 0.00 0.70 0.00 0.00 55.95 55.97 1sjh s SER 179 Cb 0.00 0.06 1.13 0.00 -1.71 0.00 0.00 66.02 65.50 1sjh s SER 179 CO 0.00 -0.40 1.83 -0.65 1.20 0.00 0.00 173.24 175.22 1sjh h PRO 180 N 3.07 0.00 -5.96 5.44 0.11 -1.79 -3.44 132.00 129.43 1sjh h PRO 180 Ca -0.36 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.11 1sjh h PRO 180 Cb 1.18 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 1sjh h PRO 180 CO 0.62 0.00 -0.54 0.71 -0.21 0.00 0.00 178.00 178.58 1sjh s TYR 181 N -3.46 3.39 -0.15 0.65 1.51 -1.26 -4.47 117.35 113.56 1sjh s TYR 181 Ca 0.03 0.23 -0.18 0.00 -1.01 0.00 0.00 57.07 56.15 1sjh s TYR 181 Cb 0.09 -1.75 -0.15 0.00 -0.11 0.00 0.00 41.96 40.04 1sjh s TYR 181 CO 0.47 0.58 0.30 1.49 -1.11 0.00 0.00 175.55 177.29 1sjh h GLU 182 N 3.64 0.00 -5.44 -0.62 4.57 0.00 -3.41 114.58 113.32 1sjh h GLU 182 Ca -0.48 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.17 1sjh h GLU 182 Cb 1.17 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.63 1sjh h GLU 182 CO 0.68 0.64 -0.62 0.95 -1.18 0.00 0.00 179.01 179.48 1sjh s THR 183 N -2.13 1.57 -0.30 0.32 -4.23 -1.21 -1.06 115.64 108.61 1sjh s THR 183 Ca -0.17 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.08 1sjh s THR 183 Cb 0.01 -2.80 0.19 0.00 1.34 0.00 0.00 72.50 71.24 1sjh s THR 183 CO 0.45 -0.06 1.40 -0.83 -0.54 0.00 0.00 174.62 175.04 1sjh s GLY 184 N -3.56 0.39 -0.03 3.99 0.00 -1.26 -2.50 107.32 104.36 1sjh s GLY 184 Ca 0.35 3.56 -0.12 0.00 0.00 0.00 0.00 44.72 48.51 1sjh s GLY 184 CO 0.16 2.10 0.25 -2.52 0.00 0.00 0.00 173.10 173.09 1sjh s TYR 185 N 0.23 -0.15 -0.20 1.90 -0.85 -0.85 -0.33 117.35 117.10 1sjh s TYR 185 Ca 0.04 0.26 -0.04 0.00 -0.52 0.00 0.00 57.07 56.81 1sjh s TYR 185 Cb -0.04 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.33 1sjh s TYR 185 CO -0.14 -0.31 -0.02 -1.50 -1.52 0.00 0.00 175.55 172.06 1sjh s ILE 186 N -1.02 3.73 -0.08 -3.49 2.07 -0.61 -1.15 121.20 120.65 1sjh s ILE 186 Ca -0.11 -0.38 -0.00 0.00 -1.41 0.00 0.00 60.65 58.74 1sjh s ILE 186 Cb -0.05 -2.69 -0.03 0.00 0.13 0.00 0.00 42.46 39.82 1sjh s ILE 186 CO 0.03 0.43 -0.04 -0.75 -1.91 0.00 0.00 174.94 172.69 1sjh s LYS 187 N 1.14 2.92 -0.16 3.50 2.20 0.16 -1.58 119.74 127.91 1sjh s LYS 187 Ca 0.02 -0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1sjh s LYS 187 Cb -0.14 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 1sjh s LYS 187 CO 0.01 0.63 -0.07 -0.06 -0.36 0.00 0.00 175.35 175.49 1sjh s PHE 188 N -0.70 2.93 -0.27 4.03 0.40 0.50 -1.00 117.98 123.86 1sjh s PHE 188 Ca 0.11 -0.60 -0.02 0.00 -0.60 0.00 0.00 56.93 55.82 1sjh s PHE 188 Cb -0.11 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.49 1sjh s PHE 188 CO 0.02 -0.24 -0.02 0.42 0.70 0.00 0.00 175.22 176.10 1sjh s ILE 189 N 0.66 3.07 0.29 0.64 1.09 0.22 -2.22 121.20 124.96 1sjh s ILE 189 Ca -0.04 -1.10 -0.10 0.00 -1.10 0.00 0.00 60.65 58.31 1sjh s ILE 189 Cb -0.15 -2.63 -0.07 0.00 -1.06 0.00 0.00 42.46 38.55 1sjh s ILE 189 CO 0.02 0.08 0.63 -1.61 -0.10 0.00 0.00 174.94 173.96 1sjh s GLU 190 N 1.33 3.81 0.00 2.79 2.02 0.05 -1.19 118.70 127.51 1sjh s GLU 190 Ca -0.01 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.32 1sjh s GLU 190 Cb -0.18 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1sjh s GLU 190 CO -0.02 0.20 0.56 0.27 0.02 0.00 0.00 175.26 176.29 1sjh n ASN 191 N -0.53 0.00 -0.95 -0.19 6.94 -1.26 -0.46 115.26 118.81 1sjh n ASN 191 Ca 0.01 0.09 0.08 0.00 -0.02 0.00 0.00 54.58 54.75 1sjh n ASN 191 Cb 0.53 -0.09 0.22 0.00 -2.36 0.00 0.00 39.78 38.08 1sjh n ASN 191 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1sjh n ASN 192 N -1.06 3.35 0.00 0.53 6.94 -1.26 -4.95 115.26 118.81 1sjh n ASN 192 Ca 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.57 1sjh n ASN 192 Cb 0.01 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 1sjh n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sjh n GLY 193 N 1.02 3.23 3.74 4.83 0.00 0.39 -5.03 105.19 113.37 1sjh n GLY 193 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1sjh n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sjh s ASN 194 N -1.06 6.80 0.12 1.61 2.47 -1.25 -4.77 114.94 118.85 1sjh s ASN 194 Ca 0.00 2.50 0.05 0.00 0.42 0.00 0.00 52.86 55.83 1sjh s ASN 194 Cb 0.00 -2.61 -0.04 0.00 -1.45 0.00 0.00 41.25 37.15 1sjh s ASN 194 CO 0.00 -0.60 -0.12 0.42 -3.72 0.00 0.00 177.10 173.07 1sjh s THR 195 N 0.15 1.20 0.10 -5.21 -4.23 -1.26 -0.77 115.64 105.61 1sjh s THR 195 Ca 0.58 -1.74 -0.23 0.00 -1.18 0.00 0.00 61.69 59.12 1sjh s THR 195 Cb -0.39 -1.52 0.06 0.00 1.34 0.00 0.00 72.50 72.00 1sjh s THR 195 CO 0.39 -0.49 0.57 0.72 -0.54 0.00 0.00 174.62 175.27 1sjh s PHE 196 N -2.36 -0.50 0.12 3.99 -0.12 -0.94 -1.78 117.98 116.39 1sjh s PHE 196 Ca 0.09 0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 57.38 1sjh s PHE 196 Cb -0.03 0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1sjh s PHE 196 CO 0.02 -0.75 0.11 1.67 -0.05 0.00 0.00 175.22 176.22 1sjh s TRP 197 N -3.04 0.64 -0.04 3.49 1.48 -1.26 -0.37 118.94 119.84 1sjh s TRP 197 Ca -0.02 -1.04 0.03 0.00 -1.06 0.00 0.00 56.10 54.01 1sjh s TRP 197 Cb -0.00 -0.33 0.00 0.00 -1.16 0.00 0.00 33.47 31.97 1sjh s TRP 197 CO -0.07 -0.54 -0.14 0.71 -4.06 0.00 0.00 176.95 172.85 1sjh s TYR 198 N -3.99 1.42 0.12 1.66 4.12 -0.62 -4.96 117.35 115.11 1sjh s TYR 198 Ca 0.18 -0.40 -0.30 0.00 0.02 0.00 0.00 57.07 56.56 1sjh s TYR 198 Cb 0.06 -0.98 -0.07 0.00 -1.52 0.00 0.00 41.96 39.45 1sjh s TYR 198 CO -0.02 -0.15 1.24 0.34 0.02 0.00 0.00 175.55 176.99 1sjh s ASP 199 N 0.14 7.02 0.00 2.29 -1.08 -1.26 -1.58 116.67 122.20 1sjh s ASP 199 Ca -0.04 2.17 0.24 0.00 -0.52 0.00 0.00 52.55 54.40 1sjh s ASP 199 Cb -0.11 -2.59 0.33 0.00 -1.46 0.00 0.00 42.92 39.09 1sjh s ASP 199 CO 0.02 -0.48 1.29 0.23 0.52 0.00 0.00 175.17 176.75 1sjh n MET 200 N 3.37 0.34 -3.98 4.34 2.81 0.56 -4.93 117.12 119.63 1sjh n MET 200 Ca 0.08 -0.23 -0.27 0.00 -1.81 0.00 0.00 57.70 55.46 1sjh n MET 200 Cb 0.45 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.42 1sjh n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1sjh s MET 201 N -2.82 3.26 0.62 0.03 -1.94 -1.25 -4.99 119.30 112.22 1sjh s MET 201 Ca 0.14 -0.66 -0.15 0.00 -1.71 0.00 0.00 55.69 53.32 1sjh s MET 201 Cb 0.18 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 1sjh s MET 201 CO 0.68 0.52 1.07 -1.25 -0.01 0.00 0.00 175.02 176.04 1sjh s PRO 202 N -3.07 3.13 0.69 2.03 0.04 -1.26 -4.81 135.00 131.75 1sjh s PRO 202 Ca 0.33 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 1sjh s PRO 202 Cb -0.11 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1sjh s PRO 202 CO 0.27 -0.96 1.23 0.00 0.04 0.00 0.00 177.00 177.57 1sjh s ALA 203 N -2.51 2.25 0.53 8.56 0.00 -1.26 -4.60 121.76 124.73 1sjh s ALA 203 Ca 0.64 0.99 -0.22 0.00 0.00 0.00 0.00 51.96 53.36 1sjh s ALA 203 Cb -0.17 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1sjh s ALA 203 CO 0.40 -1.70 1.36 -1.25 0.00 0.00 0.00 175.76 174.57 1sjh s PRO 204 N -3.68 3.21 0.00 0.00 0.04 -1.26 -4.73 135.00 128.58 1sjh s PRO 204 Ca 0.77 2.24 0.00 0.00 0.04 0.00 0.00 61.00 64.05 1sjh s PRO 204 Cb -0.32 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1sjh s PRO 204 CO 0.42 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1sjh n GLY 205 N 0.70 0.89 0.78 0.56 0.00 -0.74 -4.91 105.19 102.47 1sjh n GLY 205 Ca 0.10 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.30 1sjh n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sjh n ASP 206 N 3.00 2.91 -3.78 1.61 5.68 -1.26 0.11 116.55 124.82 1sjh n ASP 206 Ca 0.00 -1.87 -0.13 0.00 -0.50 0.00 0.00 54.79 52.29 1sjh n ASP 206 Cb 0.00 -0.20 -0.13 0.00 -1.14 0.00 0.00 41.12 39.64 1sjh n ASP 206 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1sjh s LYS 207 N -1.10 0.15 -0.23 0.11 2.36 -1.26 -3.70 119.74 116.06 1sjh s LYS 207 Ca 0.27 0.32 -0.12 0.00 -2.55 0.00 0.00 55.97 53.89 1sjh s LYS 207 Cb 0.15 -0.04 -0.05 0.00 -1.05 0.00 0.00 37.83 36.84 1sjh s LYS 207 CO 0.21 -0.10 0.21 0.12 1.55 0.00 0.00 175.35 177.34 1sjh s PHE 208 N 0.65 3.32 -0.65 4.03 5.36 -1.26 -4.95 117.98 124.49 1sjh s PHE 208 Ca -0.05 0.30 -0.16 0.00 -0.96 0.00 0.00 56.93 56.06 1sjh s PHE 208 Cb -0.06 -2.32 0.15 0.00 -0.34 0.00 0.00 43.02 40.44 1sjh s PHE 208 CO -0.03 0.05 0.65 0.34 -1.46 0.00 0.00 175.22 174.76 1sjh s ASP 209 N 1.07 6.36 0.13 6.13 -1.08 -1.26 -4.93 116.67 123.08 1sjh s ASP 209 Ca 0.10 -1.95 -0.20 0.00 -0.52 0.00 0.00 52.55 49.97 1sjh s ASP 209 Cb -0.14 -2.24 -0.03 0.00 -1.46 0.00 0.00 42.92 39.05 1sjh s ASP 209 CO 0.05 -0.86 1.70 1.56 0.52 0.00 0.00 175.17 178.14 1sjh h GLN 210 N 8.68 -0.04 -0.49 4.34 4.20 -1.92 -1.30 115.11 128.57 1sjh h GLN 210 Ca -0.17 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.61 1sjh h GLN 210 Cb 1.08 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.81 1sjh h GLN 210 CO 0.99 -0.03 0.15 1.03 -0.67 0.00 0.00 178.83 180.30 1sjh h SER 211 N -0.04 0.13 -0.22 1.46 0.87 -1.92 -0.74 113.55 113.09 1sjh h SER 211 Ca 0.09 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 1sjh h SER 211 Cb 0.19 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1sjh h SER 211 CO -0.21 0.10 -0.21 0.50 -0.53 0.00 0.00 176.83 176.48 1sjh h LYS 212 N 0.32 0.67 0.02 2.24 3.64 -1.92 -2.62 116.57 118.92 1sjh h LYS 212 Ca 0.24 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1sjh h LYS 212 Cb 0.27 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1sjh h LYS 212 CO -0.26 0.83 -0.01 -0.92 -2.27 0.00 0.00 179.45 176.82 1sjh h TYR 213 N 0.59 -0.02 0.00 1.91 3.20 -0.66 -3.13 116.97 118.86 1sjh h TYR 213 Ca 0.09 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1sjh h TYR 213 Cb 0.68 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1sjh h TYR 213 CO 0.03 0.28 0.00 -0.07 -1.64 0.00 0.00 178.16 176.76 1sjh h LEU 214 N -0.33 0.00 -1.26 2.82 3.38 -1.12 -2.97 115.31 115.82 1sjh h LEU 214 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sjh h LEU 214 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1sjh h LEU 214 CO 0.00 0.00 0.14 -0.03 0.09 0.00 0.00 178.44 178.65 1sjh h MET 215 N 0.00 0.00 0.00 1.13 4.05 -1.40 -0.80 114.93 117.91 1sjh h MET 215 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1sjh h MET 215 Cb 0.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1sjh h MET 215 CO 0.00 0.00 -0.01 0.00 0.23 0.00 0.00 176.91 177.13 1sjh h MET 216 N 0.00 0.00 -0.09 0.39 -0.00 -1.73 -1.13 114.93 112.37 1sjh h MET 216 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1sjh h MET 216 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.89 1sjh h MET 216 CO 0.00 0.01 0.00 0.66 -0.00 0.00 0.00 176.91 177.58 1sjh n TYR 217 N -3.12 0.12 -0.22 -0.10 0.53 -0.30 -4.21 117.16 109.86 1sjh n TYR 217 Ca 0.00 -0.06 0.02 0.00 -1.02 0.00 0.00 57.90 56.84 1sjh n TYR 217 Cb 0.28 0.00 0.12 0.00 -1.03 0.00 0.00 39.34 38.71 1sjh n TYR 217 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 1sjh h ASN 218 N 0.72 -0.30 0.23 7.72 -0.00 -1.38 -2.36 115.58 120.21 1sjh h ASN 218 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 56.30 56.47 1sjh h ASN 218 Cb 0.16 0.29 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 1sjh h ASN 218 CO 0.00 -0.13 0.00 -0.90 -0.00 0.00 0.00 177.43 176.40 1sjh n ASP 219 N -5.30 0.00 -2.67 1.15 5.68 -1.26 -1.95 116.55 112.20 1sjh n ASP 219 Ca 0.10 0.49 -0.20 0.00 -0.50 0.00 0.00 54.79 54.68 1sjh n ASP 219 Cb 0.39 -0.49 0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1sjh n ASP 219 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1sjh n ASN 220 N -1.49 -5.60 -4.66 -1.12 5.15 -0.89 -4.86 115.26 101.78 1sjh n ASN 220 Ca 0.02 -0.10 -0.50 0.00 -0.60 0.00 0.00 54.58 53.40 1sjh n ASN 220 Cb 0.08 -4.62 -0.05 0.00 -0.53 0.00 0.00 39.78 34.65 1sjh n ASN 220 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1sjh n LYS 221 N -3.37 1.76 -4.39 1.20 0.00 -1.26 -4.88 118.16 107.22 1sjh n LYS 221 Ca -0.18 0.64 -0.27 0.00 0.00 0.00 0.00 58.31 58.50 1sjh n LYS 221 Cb 0.65 -2.39 -0.11 0.00 0.00 0.00 0.00 35.03 33.18 1sjh n LYS 221 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1sjh s THR 222 N 2.04 2.56 0.07 3.15 -4.23 -1.26 -0.76 115.64 117.20 1sjh s THR 222 Ca 0.87 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1sjh s THR 222 Cb -0.81 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1sjh s THR 222 CO 0.48 -0.10 0.02 0.68 -0.54 0.00 0.00 174.62 175.16 1sjh s VAL 223 N -1.63 0.19 -0.40 2.29 -7.23 0.38 -4.87 120.40 109.13 1sjh s VAL 223 Ca 0.21 -1.71 -0.28 0.00 -1.81 0.00 0.00 61.98 58.39 1sjh s VAL 223 Cb -0.08 -1.55 0.02 0.00 0.56 0.00 0.00 36.38 35.33 1sjh s VAL 223 CO 0.11 -0.88 1.07 -0.62 -0.31 0.00 0.00 175.10 174.46 1sjh s ASP 224 N -2.92 6.74 0.49 4.85 2.15 -1.26 -1.49 116.67 125.22 1sjh s ASP 224 Ca 0.09 0.68 0.14 0.00 0.43 0.00 0.00 52.55 53.88 1sjh s ASP 224 Cb 0.07 -2.53 1.15 0.00 -0.30 0.00 0.00 42.92 41.31 1sjh s ASP 224 CO -0.09 -1.04 2.12 0.77 -0.17 0.00 0.00 175.17 176.76 1sjh h SER 225 N 8.68 0.12 1.47 -0.34 4.64 -1.20 -0.59 113.55 126.33 1sjh h SER 225 Ca -0.22 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1sjh h SER 225 Cb 1.06 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1sjh h SER 225 CO 1.06 0.10 0.00 0.07 -0.87 0.00 0.00 176.83 177.19 1sjh h LYS 226 N 0.15 0.00 0.00 4.77 2.10 -1.87 -3.37 116.57 118.34 1sjh h LYS 226 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1sjh h LYS 226 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1sjh h LYS 226 CO -0.01 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.31 1sjh n SER 227 N -2.89 0.02 -4.81 7.07 3.41 -1.01 -5.07 113.62 110.35 1sjh n SER 227 Ca 0.03 -0.37 -0.34 0.00 -0.26 0.00 0.00 58.87 57.93 1sjh n SER 227 Cb 0.41 0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 64.97 1sjh n SER 227 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sjh s VAL 228 N -0.66 4.12 0.07 -3.33 0.11 -0.26 -4.14 120.40 116.31 1sjh s VAL 228 Ca 0.00 1.36 0.07 0.00 -2.93 0.00 0.00 61.98 60.48 1sjh s VAL 228 Cb 0.00 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.25 1sjh s VAL 228 CO 0.00 -0.25 -0.19 -0.54 -3.33 0.00 0.00 175.10 170.79 1sjh s LYS 229 N -3.10 1.16 -0.02 1.54 1.02 -0.33 -4.52 119.74 115.50 1sjh s LYS 229 Ca 0.63 -1.02 0.07 0.00 0.02 0.00 0.00 55.97 55.67 1sjh s LYS 229 Cb -0.13 -1.32 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 1sjh s LYS 229 CO 0.17 0.32 -0.23 0.42 -0.92 0.00 0.00 175.35 175.11 1sjh s ILE 230 N -1.01 1.83 -0.06 2.17 1.01 -0.63 -0.61 121.20 123.89 1sjh s ILE 230 Ca 0.05 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1sjh s ILE 230 Cb -0.09 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.88 1sjh s ILE 230 CO 0.03 0.52 -0.08 -1.61 0.00 0.00 0.00 174.94 173.79 1sjh s GLU 231 N -0.51 1.30 -0.27 2.79 2.02 -0.17 -1.36 118.70 122.51 1sjh s GLU 231 Ca 0.08 -0.25 -0.06 0.00 0.02 0.00 0.00 54.97 54.76 1sjh s GLU 231 Cb -0.09 -1.20 -0.00 0.00 0.10 0.00 0.00 34.13 32.94 1sjh s GLU 231 CO -0.01 -0.07 0.04 0.08 0.02 0.00 0.00 175.26 175.33 1sjh s VAL 232 N 0.96 3.84 -0.35 2.63 1.01 -0.10 0.36 120.40 128.76 1sjh s VAL 232 Ca -0.10 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1sjh s VAL 232 Cb -0.15 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1sjh s VAL 232 CO 0.00 0.21 0.13 -1.00 0.00 0.00 0.00 175.10 174.45 1sjh s HIS 233 N 1.51 3.24 0.28 5.22 3.76 -0.30 -0.04 115.29 128.96 1sjh s HIS 233 Ca 0.04 -1.23 0.10 0.00 -0.15 0.00 0.00 55.06 53.82 1sjh s HIS 233 Cb -0.16 -2.32 -0.05 0.00 1.11 0.00 0.00 32.58 31.16 1sjh s HIS 233 CO 0.01 -0.69 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.64 1sjh s LEU 234 N 1.46 2.98 -0.02 0.89 1.43 0.67 -2.01 118.68 124.09 1sjh s LEU 234 Ca -0.00 -0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 52.25 1sjh s LEU 234 Cb -0.19 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.55 1sjh s LEU 234 CO 0.04 -0.02 0.09 0.42 0.23 0.00 0.00 176.35 177.11 1sjh s THR 235 N -2.41 0.04 0.32 5.49 -4.23 -1.04 -0.74 115.64 113.07 1sjh s THR 235 Ca 0.31 -0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1sjh s THR 235 Cb -0.05 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 1sjh s THR 235 CO 0.18 -0.19 0.54 0.42 -0.54 0.00 0.00 174.62 175.03 1sjh s THR 236 N -0.62 5.09 0.19 3.99 -4.23 -1.26 0.69 115.64 119.48 1sjh s THR 236 Ca -0.07 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 1sjh s THR 236 Cb -0.04 -3.81 0.09 0.00 1.34 0.00 0.00 72.50 70.08 1sjh s THR 236 CO 0.00 -0.45 1.82 0.50 -0.54 0.00 0.00 174.62 175.95 1sjh h LYS 237 N 1.17 0.65 0.00 3.99 3.64 -1.90 -3.35 116.57 120.78 1sjh h LYS 237 Ca -0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1sjh h LYS 237 Cb 1.21 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1sjh h LYS 237 CO 0.64 0.43 -0.36 -2.95 -2.27 0.00 0.00 179.45 174.94 1sjh h ASN 238 N 0.67 0.00 0.00 4.20 7.08 -1.96 -3.50 115.58 122.08 1sjh h ASN 238 Ca 0.23 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.45 1sjh h ASN 238 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.28 1sjh h ASN 238 CO -0.11 0.58 0.00 0.61 -2.08 0.00 0.00 177.43 176.43