#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwh s ALA 2 N 0.00 1.53 0.61 -5.12 0.00 -1.26 -5.04 121.76 112.48 1pwh s ALA 2 Ca 0.00 -1.70 0.27 0.00 0.00 0.00 0.00 51.96 50.53 1pwh s ALA 2 Cb 0.00 0.66 1.01 0.00 0.00 0.00 0.00 23.12 24.79 1pwh s ALA 2 CO 0.00 -0.34 1.41 0.00 0.00 0.00 0.00 175.76 176.83 1pwh h ALA 3 N 2.57 2.80 0.00 0.00 0.00 -2.08 -1.76 119.26 120.79 1pwh h ALA 3 Ca -0.37 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1pwh h ALA 3 Cb 1.22 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1pwh h ALA 3 CO 0.62 -1.55 -0.13 1.04 0.00 0.00 0.00 179.25 179.24 1pwh n GLN 4 N -3.30 1.31 -0.05 0.00 3.00 -1.26 -4.06 117.38 113.01 1pwh n GLN 4 Ca 0.20 -0.35 -0.11 0.00 -0.01 0.00 0.00 57.00 56.72 1pwh n GLN 4 Cb 1.36 -1.38 -0.04 0.00 0.00 0.00 0.00 30.24 30.19 1pwh n GLN 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1pwh n GLU 5 N 1.89 0.24 -4.38 -1.09 4.07 -0.67 -5.03 120.64 115.67 1pwh n GLU 5 Ca 0.15 0.10 -0.19 0.00 -0.06 0.00 0.00 57.16 57.16 1pwh n GLU 5 Cb 0.63 -0.93 -0.15 0.00 -0.06 0.00 0.00 31.44 30.93 1pwh n GLU 5 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1pwh s SER 6 N -5.87 1.13 0.13 4.31 0.01 -1.26 -5.03 113.70 107.12 1pwh s SER 6 Ca -0.15 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 56.97 1pwh s SER 6 Cb 0.06 -0.20 -0.15 0.00 0.21 0.00 0.00 66.02 65.94 1pwh s SER 6 CO 0.20 0.09 1.29 -0.07 0.41 0.00 0.00 173.24 175.16 1pwh h LEU 7 N 6.10 0.15-10.60 2.44 3.38 -1.89 -3.45 115.31 111.44 1pwh h LEU 7 Ca -0.32 -0.14 -0.46 0.00 0.09 0.00 0.00 57.88 57.05 1pwh h LEU 7 Cb 1.17 -0.05 0.08 0.00 0.09 0.00 0.00 40.66 41.96 1pwh h LEU 7 CO 0.49 1.06 0.22 -1.38 0.09 0.00 0.00 178.44 178.92 1pwh s HIS 8 N -2.85 2.70 0.16 1.13 -3.43 -1.26 -4.84 115.29 106.90 1pwh s HIS 8 Ca -0.01 0.35 0.05 0.00 -0.80 0.00 0.00 55.06 54.64 1pwh s HIS 8 Cb 0.10 -3.23 -0.05 0.00 -1.43 0.00 0.00 32.58 27.97 1pwh s HIS 8 CO 0.83 -1.50 -0.09 0.14 -2.00 0.00 0.00 174.74 172.12 1pwh s VAL 9 N -3.26 1.19 -0.14 -5.38 -7.23 -1.26 -5.06 120.40 99.26 1pwh s VAL 9 Ca 0.62 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 1pwh s VAL 9 Cb -0.10 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 1pwh s VAL 9 CO 0.45 -0.68 1.21 -0.54 -0.31 0.00 0.00 175.10 175.23 1pwh s LYS 10 N -3.76 4.28 0.20 4.82 1.02 -1.26 -4.95 119.74 120.10 1pwh s LYS 10 Ca 0.19 1.62 0.04 0.00 0.02 0.00 0.00 55.97 57.84 1pwh s LYS 10 Cb 0.03 -3.68 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 1pwh s LYS 10 CO 0.02 -0.61 0.34 0.95 -0.92 0.00 0.00 175.35 175.13 1pwh s THR 11 N 3.04 5.28 0.68 2.17 -4.23 -1.26 -5.08 115.64 116.24 1pwh s THR 11 Ca 0.54 -0.82 -0.17 0.00 -1.18 0.00 0.00 61.69 60.06 1pwh s THR 11 Cb -0.22 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.83 1pwh s THR 11 CO 0.16 -0.23 1.25 -2.84 -0.54 0.00 0.00 174.62 172.42 1pwh s PRO 12 N -3.65 2.41 -0.55 3.99 0.02 -1.26 -4.77 135.00 131.19 1pwh s PRO 12 Ca 0.35 1.92 0.03 0.00 0.02 0.00 0.00 61.00 63.31 1pwh s PRO 12 Cb -0.10 -1.85 0.14 0.00 0.02 0.00 0.00 34.50 32.71 1pwh s PRO 12 CO 0.29 -1.67 0.31 -1.17 -0.33 0.00 0.00 177.00 174.43 1pwh s LEU 13 N -4.67 4.51 0.25 -5.54 2.96 -1.26 -1.17 118.68 113.76 1pwh s LEU 13 Ca 0.79 -3.03 -0.29 0.00 -0.22 0.00 0.00 54.13 51.37 1pwh s LEU 13 Cb -0.33 -1.68 -0.09 0.00 0.50 0.00 0.00 46.19 44.58 1pwh s LEU 13 CO 0.41 -0.25 0.94 -0.60 -1.32 0.00 0.00 176.35 175.54 1pwh s ARG 14 N -0.32 4.82 -0.44 1.98 3.52 0.54 -4.79 118.95 124.25 1pwh s ARG 14 Ca 0.17 1.46 -0.20 0.00 -0.13 0.00 0.00 55.73 57.04 1pwh s ARG 14 Cb -0.24 -3.20 0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1pwh s ARG 14 CO -0.01 0.48 0.62 0.34 -0.81 0.00 0.00 175.30 175.92 1pwh s ASP 15 N -1.25 6.30 -0.38 -2.12 3.68 -1.26 0.66 116.67 122.30 1pwh s ASP 15 Ca 0.42 -0.43 -0.20 0.00 2.13 0.00 0.00 52.55 54.48 1pwh s ASP 15 Cb -0.25 -2.31 0.01 0.00 -1.45 0.00 0.00 42.92 38.92 1pwh s ASP 15 CO 0.31 -0.78 0.59 -0.55 0.13 0.00 0.00 175.17 174.87 1pwh s SER 16 N 2.06 6.35 0.18 -0.34 0.15 -0.45 -4.91 113.70 116.74 1pwh s SER 16 Ca 0.21 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 1pwh s SER 16 Cb -0.15 -2.30 0.08 0.00 -1.71 0.00 0.00 66.02 61.94 1pwh s SER 16 CO 0.18 -0.61 1.46 0.24 1.20 0.00 0.00 173.24 175.71 1pwh h MET 17 N 8.59 0.47 0.83 5.44 2.86 -1.96 -2.41 114.93 128.74 1pwh h MET 17 Ca -0.27 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 56.99 1pwh h MET 17 Cb 1.11 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.84 1pwh h MET 17 CO 0.83 0.97 -0.40 0.00 1.06 0.00 0.00 176.91 179.37 1pwh h ALA 18 N 0.94 -1.12 0.00 6.32 0.00 -1.91 -1.74 119.26 121.75 1pwh h ALA 18 Ca -0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1pwh h ALA 18 Cb 1.22 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1pwh h ALA 18 CO 0.12 -1.13 -0.30 -0.07 0.00 0.00 0.00 179.25 177.87 1pwh h LEU 19 N -1.12 0.00 -1.13 0.00 4.07 -1.93 -2.63 115.31 112.57 1pwh h LEU 19 Ca -0.11 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.77 1pwh h LEU 19 Cb 0.86 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 1pwh h LEU 19 CO 0.18 0.30 -0.27 0.28 -1.08 0.00 0.00 178.44 177.85 1pwh h SER 20 N 0.00 0.26 -0.19 -0.43 0.02 -1.32 0.14 113.55 112.03 1pwh h SER 20 Ca -0.00 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 1pwh h SER 20 Cb 0.85 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1pwh h SER 20 CO 0.04 0.54 -0.06 0.50 -1.14 0.00 0.00 176.83 176.71 1pwh h LYS 21 N 0.24 0.38 -0.50 3.45 3.64 -0.96 -0.92 116.57 121.91 1pwh h LYS 21 Ca 0.04 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 1pwh h LYS 21 Cb 0.61 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1pwh h LYS 21 CO 0.04 0.65 -0.11 0.28 -2.27 0.00 0.00 179.45 178.05 1pwh h VAL 22 N 0.09 1.26 0.00 2.00 2.07 -1.26 -3.16 116.25 117.26 1pwh h VAL 22 Ca 0.05 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1pwh h VAL 22 Cb 0.52 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1pwh h VAL 22 CO 0.02 0.43 -0.18 0.00 0.02 0.00 0.00 177.57 177.86 1pwh n ALA 23 N -2.49 2.47 -1.16 1.67 0.00 0.44 -4.93 120.51 116.51 1pwh n ALA 23 Ca 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 1pwh n ALA 23 Cb 0.39 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1pwh n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwh n GLY 24 N 1.32 0.73 3.47 0.00 0.00 -0.36 -4.79 105.19 105.55 1pwh n GLY 24 Ca 0.05 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 1pwh n GLY 24 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pwh s THR 25 N -1.95 0.00 0.02 2.61 -1.32 -1.13 -5.01 115.64 108.85 1pwh s THR 25 Ca 0.00 -0.01 -0.36 0.00 -1.21 0.00 0.00 61.69 60.11 1pwh s THR 25 Cb 0.00 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.84 1pwh s THR 25 CO 0.00 -0.01 1.59 -0.24 -2.21 0.00 0.00 174.62 173.75 1pwh n SER 26 N 0.35 2.58 -4.04 8.08 2.88 -1.26 -4.44 113.62 117.76 1pwh n SER 26 Ca -0.18 1.07 -0.28 0.00 -1.33 0.00 0.00 58.87 58.15 1pwh n SER 26 Cb 0.60 -1.29 -0.17 0.00 -0.75 0.00 0.00 64.21 62.61 1pwh n SER 26 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1pwh s VAL 27 N 1.81 1.44 0.03 2.46 1.01 -1.26 -0.64 120.40 125.25 1pwh s VAL 27 Ca 0.87 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1pwh s VAL 27 Cb -0.84 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1pwh s VAL 27 CO 0.48 0.43 -0.06 -0.36 0.00 0.00 0.00 175.10 175.59 1pwh s PHE 28 N 1.06 2.90 -0.11 5.22 2.99 0.53 -1.34 117.98 129.23 1pwh s PHE 28 Ca -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 56.93 56.85 1pwh s PHE 28 Cb -0.15 -1.58 -0.01 0.00 0.00 0.00 0.00 43.02 41.28 1pwh s PHE 28 CO -0.02 0.40 -0.18 -0.51 -0.00 0.00 0.00 175.22 174.91 1pwh s LEU 29 N -1.66 2.43 -0.65 -0.37 1.43 0.21 -0.47 118.68 119.61 1pwh s LEU 29 Ca 0.19 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.69 1pwh s LEU 29 Cb -0.11 -1.52 0.13 0.00 0.03 0.00 0.00 46.19 44.72 1pwh s LEU 29 CO 0.10 0.17 0.71 -0.75 0.23 0.00 0.00 176.35 176.82 1pwh s LYS 30 N 0.28 3.17 -0.28 1.70 2.47 -0.53 -0.34 119.74 126.20 1pwh s LYS 30 Ca -0.13 -1.61 -0.13 0.00 -1.56 0.00 0.00 55.97 52.55 1pwh s LYS 30 Cb -0.16 -4.36 -0.14 0.00 -1.46 0.00 0.00 37.83 31.71 1pwh s LYS 30 CO 0.07 -1.49 1.50 -1.33 0.16 0.00 0.00 175.35 174.26 1pwh n MET 31 N 5.79 0.61 0.00 4.03 2.81 -0.32 -2.20 117.12 127.83 1pwh n MET 31 Ca -0.04 -1.01 0.12 0.00 -1.81 0.00 0.00 57.70 54.96 1pwh n MET 31 Cb 0.43 -2.35 0.66 0.00 -0.71 0.00 0.00 33.22 31.25 1pwh n MET 31 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1pwh n ASP 32 N 6.29 0.00 0.01 7.83 9.92 -1.07 -1.86 116.55 137.67 1pwh n ASP 32 Ca 0.28 -0.31 0.09 0.00 -0.53 0.00 0.00 54.79 54.32 1pwh n ASP 32 Cb 0.20 -0.19 0.39 0.00 -0.64 0.00 0.00 41.12 40.88 1pwh n ASP 32 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1pwh n SER 33 N -1.19 0.05 0.03 -2.24 3.41 -1.12 -1.81 113.62 110.75 1pwh n SER 33 Ca 0.14 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1pwh n SER 33 Cb 0.16 -0.52 0.26 0.00 -0.26 0.00 0.00 64.21 63.84 1pwh n SER 33 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pwh n SER 34 N -1.55 0.54 -4.56 4.04 7.64 -0.77 -4.58 113.62 114.37 1pwh n SER 34 Ca 0.04 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.60 1pwh n SER 34 Cb 0.22 0.11 0.14 0.00 -1.01 0.00 0.00 64.21 63.66 1pwh n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pwh n GLN 35 N -1.78 -0.22 -0.21 1.43 1.13 -0.75 -4.87 117.38 112.11 1pwh n GLN 35 Ca 0.05 -0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.12 1pwh n GLN 35 Cb 0.38 -2.15 0.10 0.00 0.11 0.00 0.00 30.24 28.68 1pwh n GLN 35 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1pwh h PRO 36 N -1.47 0.10 -0.01 -1.09 0.11 -1.88 -1.58 132.00 126.17 1pwh h PRO 36 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pwh h PRO 36 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1pwh h PRO 36 CO 0.40 0.07 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.11 1pwh n SER 37 N -5.31 1.23 0.00 -2.05 3.41 -1.26 -4.91 113.62 104.73 1pwh n SER 37 Ca 0.09 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1pwh n SER 37 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1pwh n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwh n GLY 38 N 1.16 0.58 3.54 5.00 0.00 -0.60 -4.73 105.19 110.15 1pwh n GLY 38 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1pwh n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pwh s SER 39 N -2.89 -0.25 0.64 1.61 1.04 -1.24 -2.25 113.70 110.36 1pwh s SER 39 Ca 0.00 -0.51 0.39 0.00 0.48 0.00 0.00 55.95 56.31 1pwh s SER 39 Cb 0.00 0.58 2.15 0.00 0.10 0.00 0.00 66.02 68.85 1pwh s SER 39 CO 0.00 -1.07 2.21 2.19 0.98 0.00 0.00 173.24 177.55 1pwh h PHE 40 N 2.19 0.00 -1.26 5.02 -5.15 -1.50 -3.14 116.94 113.10 1pwh h PHE 40 Ca -0.28 0.00 0.36 0.00 -0.20 0.00 0.00 57.97 57.85 1pwh h PHE 40 Cb 1.26 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.37 1pwh h PHE 40 CO 0.36 0.00 0.90 0.87 -2.00 0.00 0.00 178.31 178.43 1pwh h LYS 41 N 0.00 0.03 0.00 6.09 1.79 -1.89 -1.13 116.57 121.46 1pwh h LYS 41 Ca 0.00 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1pwh h LYS 41 Cb 0.16 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1pwh h LYS 41 CO 0.00 0.02 -0.07 0.97 -1.08 0.00 0.00 179.45 179.29 1pwh h ILE 42 N 0.03 0.30 0.00 1.86 6.09 -1.88 0.05 117.51 123.97 1pwh h ILE 42 Ca 0.61 -0.48 0.00 0.00 -1.37 0.00 0.00 64.86 63.62 1pwh h ILE 42 Cb 2.36 1.37 0.00 0.00 0.47 0.00 0.00 36.82 41.02 1pwh h ILE 42 CO -0.04 0.07 0.00 0.54 -3.07 0.00 0.00 178.15 175.65 1pwh n ARG 43 N -3.36 0.00 -0.05 2.19 1.74 -0.43 -0.60 116.66 116.16 1pwh n ARG 43 Ca -0.01 0.42 -0.16 0.00 -0.77 0.00 0.00 57.85 57.33 1pwh n ARG 43 Cb 0.24 -1.40 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 1pwh n ARG 43 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1pwh h GLY 44 N 0.00 0.87 1.20 -0.13 0.00 -1.69 -2.58 103.07 100.74 1pwh h GLY 44 Ca 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 47.33 46.10 1pwh h GLY 44 CO 0.00 1.01 -0.03 -2.22 0.00 0.00 0.00 176.54 175.30 1pwh h ILE 45 N 0.53 1.26 -0.15 2.60 1.08 -1.11 -1.65 117.51 120.06 1pwh h ILE 45 Ca -0.02 -1.14 -0.09 0.00 -0.39 0.00 0.00 64.86 63.22 1pwh h ILE 45 Cb 1.27 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 1pwh h ILE 45 CO 0.14 0.41 -0.29 1.23 -0.69 0.00 0.00 178.15 178.95 1pwh h GLY 46 N 0.99 0.31 0.86 5.37 0.00 -0.88 -1.80 103.07 107.91 1pwh h GLY 46 Ca 0.15 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1pwh h GLY 46 CO 0.03 0.23 -0.17 0.84 0.00 0.00 0.00 176.54 177.47 1pwh h HIS 47 N 0.26 0.62 -0.29 5.60 -0.00 -1.04 -0.26 115.15 120.04 1pwh h HIS 47 Ca 0.04 -0.17 -0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1pwh h HIS 47 Cb 0.64 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1pwh h HIS 47 CO 0.01 0.83 0.18 1.25 -0.00 0.00 0.00 177.93 180.20 1pwh h LEU 48 N 0.23 0.35 0.71 0.26 6.46 -1.12 -1.50 115.31 120.70 1pwh h LEU 48 Ca 0.05 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1pwh h LEU 48 Cb 0.70 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1pwh h LEU 48 CO 0.04 0.29 -0.34 0.00 -0.62 0.00 0.00 178.44 177.81 1pwh h LYS 50 N -1.06 0.32 0.15 0.00 1.63 -1.01 0.54 116.57 117.13 1pwh h LYS 50 Ca -0.10 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1pwh h LYS 50 Cb 0.76 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1pwh h LYS 50 CO 0.16 0.21 -0.07 1.98 -3.45 0.00 0.00 179.45 178.28 1pwh h MET 51 N 0.33 -0.19 0.00 1.90 4.05 -1.06 -2.05 114.93 117.91 1pwh h MET 51 Ca 0.60 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 60.00 1pwh h MET 51 Cb 1.21 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.05 1pwh h MET 51 CO -0.58 0.16 -0.13 0.87 0.23 0.00 0.00 176.91 177.45 1pwh h LYS 52 N -0.56 0.00 -0.15 0.39 6.56 0.24 -1.18 116.57 121.88 1pwh h LYS 52 Ca -0.02 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.38 1pwh h LYS 52 Cb 0.43 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1pwh h LYS 52 CO 0.03 0.13 -0.65 0.00 -2.06 0.00 0.00 179.45 176.90 1pwh h ALA 53 N 1.87 0.27 0.00 3.86 0.00 0.09 -2.19 119.26 123.17 1pwh h ALA 53 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1pwh h ALA 53 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pwh h ALA 53 CO 0.02 0.56 0.00 0.87 0.00 0.00 0.00 179.25 180.70 1pwh h LYS 54 N 0.39 0.00 0.00 0.00 1.79 -0.73 -1.84 116.57 116.18 1pwh h LYS 54 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1pwh h LYS 54 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1pwh h LYS 54 CO 0.14 0.00 -0.17 0.94 -1.08 0.00 0.00 179.45 179.28 1pwh n GLN 55 N -2.67 0.00 0.00 3.15 7.27 -0.50 -4.94 117.38 119.69 1pwh n GLN 55 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1pwh n GLN 55 Cb 0.26 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.41 1pwh n GLN 55 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pwh n GLY 56 N 1.50 0.63 3.56 1.69 0.00 -0.69 -5.06 105.19 106.81 1pwh n GLY 56 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1pwh n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwh n LYS 58 N -0.79 -0.43 -3.64 0.00 4.76 0.81 -4.82 118.16 114.04 1pwh n LYS 58 Ca 0.13 -0.65 -0.04 0.00 -2.87 0.00 0.00 58.31 54.88 1pwh n LYS 58 Cb 0.48 -1.01 -0.07 0.00 -1.84 0.00 0.00 35.03 32.59 1pwh n LYS 58 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1pwh s HIS 59 N -0.16 -0.67 -0.08 2.13 2.46 -1.08 -4.25 115.29 113.63 1pwh s HIS 59 Ca 0.01 1.37 -0.10 0.00 0.47 0.00 0.00 55.06 56.80 1pwh s HIS 59 Cb 0.00 0.41 -0.05 0.00 -0.13 0.00 0.00 32.58 32.81 1pwh s HIS 59 CO 0.01 -0.33 0.25 -0.06 -2.47 0.00 0.00 174.74 172.13 1pwh s PHE 60 N 1.32 3.63 -0.10 3.88 0.40 -0.86 -0.73 117.98 125.52 1pwh s PHE 60 Ca -0.08 0.70 0.01 0.00 -0.60 0.00 0.00 56.93 56.95 1pwh s PHE 60 Cb -0.04 -2.10 0.02 0.00 0.51 0.00 0.00 43.02 41.41 1pwh s PHE 60 CO -0.15 0.66 -0.11 0.08 0.70 0.00 0.00 175.22 176.39 1pwh s VAL 61 N -0.90 1.21 -0.05 -0.44 1.01 -0.51 -0.31 120.40 120.42 1pwh s VAL 61 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1pwh s VAL 61 Cb -0.14 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1pwh s VAL 61 CO 0.07 0.39 -0.03 0.00 0.00 0.00 0.00 175.10 175.53 1pwh s SER 63 N 1.13 6.45 0.18 0.00 1.04 -1.26 0.10 113.70 121.36 1pwh s SER 63 Ca -0.08 0.54 -0.15 0.00 0.48 0.00 0.00 55.95 56.74 1pwh s SER 63 Cb -0.14 -2.26 0.02 0.00 0.10 0.00 0.00 66.02 63.74 1pwh s SER 63 CO -0.01 -0.18 0.45 -0.55 0.98 0.00 0.00 173.24 173.93 1pwh s SER 64 N 1.29 -0.18 0.00 7.02 0.15 0.12 -4.33 113.70 117.78 1pwh s SER 64 Ca 0.21 -0.57 0.24 0.00 0.70 0.00 0.00 55.95 56.53 1pwh s SER 64 Cb -0.15 0.53 0.62 0.00 -1.71 0.00 0.00 66.02 65.31 1pwh s SER 64 CO 0.09 -1.00 1.50 0.00 1.20 0.00 0.00 173.24 175.03 1pwh n ALA 65 N -0.30 2.50 0.00 5.45 0.00 -1.26 -4.11 120.51 122.79 1pwh n ALA 65 Ca -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1pwh n ALA 65 Cb 0.63 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1pwh n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwh n GLY 66 N 1.28 3.92 0.13 0.00 0.00 -1.26 -4.79 105.19 104.47 1pwh n GLY 66 Ca 0.17 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 1pwh n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pwh h ASN 67 N 0.10 0.56 0.16 1.61 2.35 -1.97 -0.74 115.58 117.65 1pwh h ASN 67 Ca 0.00 -0.88 -0.08 0.00 -0.55 0.00 0.00 56.30 54.79 1pwh h ASN 67 Cb 0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1pwh h ASN 67 CO 0.00 1.38 -0.30 0.00 -1.65 0.00 0.00 177.43 176.86 1pwh h ALA 68 N 0.18 1.27 -0.34 -0.83 0.00 -1.94 -1.26 119.26 116.34 1pwh h ALA 68 Ca -0.13 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1pwh h ALA 68 Cb 1.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1pwh h ALA 68 CO 0.16 0.50 -0.30 0.78 0.00 0.00 0.00 179.25 180.38 1pwh h GLY 69 N 1.04 0.80 1.43 0.00 0.00 -1.89 -1.06 103.07 103.39 1pwh h GLY 69 Ca 0.03 -0.74 -0.14 0.00 0.00 0.00 0.00 47.33 46.48 1pwh h GLY 69 CO 0.05 0.67 -0.41 -0.33 0.00 0.00 0.00 176.54 176.52 1pwh h MET 70 N 0.63 0.63 -0.58 4.80 2.07 -0.62 -0.70 114.93 121.15 1pwh h MET 70 Ca 0.07 -0.33 -0.08 0.00 -2.07 0.00 0.00 59.70 57.30 1pwh h MET 70 Cb 0.82 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.54 1pwh h MET 70 CO 0.07 0.92 0.05 0.00 1.07 0.00 0.00 176.91 179.02 1pwh h ALA 71 N 1.03 0.78 -0.16 6.32 0.00 -1.06 -0.72 119.26 125.45 1pwh h ALA 71 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1pwh h ALA 71 Cb 0.93 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1pwh h ALA 71 CO 0.08 0.57 -0.00 1.15 0.00 0.00 0.00 179.25 181.06 1pwh h THR 72 N 0.89 1.26 -0.76 0.00 2.02 -1.02 0.31 112.91 115.61 1pwh h THR 72 Ca 0.17 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 1pwh h THR 72 Cb 0.49 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1pwh h THR 72 CO 0.02 0.25 0.38 0.00 0.37 0.00 0.00 175.52 176.54 1pwh h ALA 73 N 0.76 1.23 -0.28 6.16 0.00 -1.02 -0.31 119.26 125.79 1pwh h ALA 73 Ca 0.04 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1pwh h ALA 73 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pwh h ALA 73 CO 0.01 0.60 -0.21 -0.92 0.00 0.00 0.00 179.25 178.73 1pwh h TYR 74 N 1.08 0.75 -0.22 0.00 3.20 -1.03 -2.42 116.97 118.34 1pwh h TYR 74 Ca 0.26 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1pwh h TYR 74 Cb 0.09 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1pwh h TYR 74 CO 0.01 0.91 0.13 0.00 -1.64 0.00 0.00 178.16 177.57 1pwh h ALA 75 N 0.72 0.27 -0.20 1.82 0.00 -0.60 -2.39 119.26 118.89 1pwh h ALA 75 Ca 0.05 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1pwh h ALA 75 Cb 0.75 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1pwh h ALA 75 CO 0.06 -0.27 -0.16 0.00 0.00 0.00 0.00 179.25 178.87 1pwh h ALA 76 N 1.10 -0.03 -0.60 0.00 0.00 -1.03 0.16 119.26 118.86 1pwh h ALA 76 Ca 0.09 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1pwh h ALA 76 Cb -0.00 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1pwh h ALA 76 CO -0.04 -0.59 0.32 -0.09 0.00 0.00 0.00 179.25 178.85 1pwh h ARG 77 N -0.17 0.59 -0.38 0.00 2.43 -1.29 0.18 114.38 115.75 1pwh h ARG 77 Ca 0.12 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1pwh h ARG 77 Cb 0.35 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1pwh h ARG 77 CO -0.30 0.39 -0.10 0.00 -1.51 0.00 0.00 179.97 178.45 1pwh h ARG 78 N 0.61 0.67 -0.25 0.20 2.47 -0.87 -1.91 114.38 115.29 1pwh h ARG 78 Ca 0.27 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1pwh h ARG 78 Cb 0.16 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1pwh h ARG 78 CO -0.17 0.75 0.00 1.28 0.56 0.00 0.00 179.97 182.39 1pwh n LEU 79 N -4.18 1.62 -3.74 3.04 4.77 0.50 -4.93 117.00 114.08 1pwh n LEU 79 Ca 0.01 -0.76 -0.26 0.00 -0.03 0.00 0.00 56.01 54.97 1pwh n LEU 79 Cb 0.34 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1pwh n LEU 79 CO 0.42 0.38 0.13 0.61 -1.33 0.00 0.00 177.39 177.59 1pwh n GLY 80 N 1.04 -0.47 3.27 -0.72 0.00 0.44 -5.01 105.19 103.75 1pwh n GLY 80 Ca 0.13 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 1pwh n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwh s LEU 81 N -7.11 2.52 0.70 0.99 1.43 -0.03 -5.02 118.68 112.16 1pwh s LEU 81 Ca 0.47 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1pwh s LEU 81 Cb -0.23 -0.46 0.01 0.00 0.03 0.00 0.00 46.19 45.54 1pwh s LEU 81 CO 0.79 -0.26 1.06 -2.84 0.23 0.00 0.00 176.35 175.33 1pwh s PRO 82 N -3.57 2.92 -0.18 1.29 0.02 -1.26 -4.11 135.00 130.12 1pwh s PRO 82 Ca 0.17 0.88 -0.16 0.00 0.02 0.00 0.00 61.00 61.91 1pwh s PRO 82 Cb 0.01 -1.99 0.05 0.00 0.02 0.00 0.00 34.50 32.58 1pwh s PRO 82 CO 0.03 -1.09 0.47 0.00 -0.33 0.00 0.00 177.00 176.08 1pwh s ALA 83 N -3.08 -1.16 -0.09 -1.55 0.00 -1.26 -2.03 121.76 112.58 1pwh s ALA 83 Ca 0.58 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.89 1pwh s ALA 83 Cb -0.14 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.22 1pwh s ALA 83 CO 0.55 -0.22 -0.16 0.99 0.00 0.00 0.00 175.76 176.91 1pwh s THR 84 N 0.27 1.52 -0.22 0.00 2.01 0.58 -0.84 115.64 118.95 1pwh s THR 84 Ca -0.00 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1pwh s THR 84 Cb -0.03 -1.36 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 1pwh s THR 84 CO 0.00 0.44 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.70 1pwh s ILE 85 N 0.74 3.33 -0.29 1.82 -1.09 0.20 -1.48 121.20 124.43 1pwh s ILE 85 Ca -0.12 -0.54 -0.14 0.00 -2.23 0.00 0.00 60.65 57.62 1pwh s ILE 85 Cb -0.16 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 1pwh s ILE 85 CO 0.02 0.40 0.32 -0.69 -1.23 0.00 0.00 174.94 173.76 1pwh s VAL 86 N 1.47 5.21 0.08 2.92 1.01 0.12 -1.28 120.40 129.93 1pwh s VAL 86 Ca 0.05 0.30 0.06 0.00 0.00 0.00 0.00 61.98 62.39 1pwh s VAL 86 Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1pwh s VAL 86 CO -0.03 0.11 -0.16 0.54 0.00 0.00 0.00 175.10 175.56 1pwh s VAL 87 N 1.96 1.28 0.64 2.92 0.11 -0.10 -0.70 120.40 126.51 1pwh s VAL 87 Ca 0.12 -1.41 -0.13 0.00 -2.93 0.00 0.00 61.98 57.63 1pwh s VAL 87 Cb -0.16 -1.24 -0.02 0.00 -1.53 0.00 0.00 36.38 33.43 1pwh s VAL 87 CO 0.11 -0.21 1.05 -2.16 -3.33 0.00 0.00 175.10 170.55 1pwh s PRO 88 N -1.90 3.19 0.46 1.54 0.04 -1.26 -1.03 135.00 136.04 1pwh s PRO 88 Ca 0.01 1.02 0.26 0.00 0.04 0.00 0.00 61.00 62.34 1pwh s PRO 88 Cb -0.09 -2.02 1.44 0.00 0.04 0.00 0.00 34.50 33.87 1pwh s PRO 88 CO 0.03 -0.90 1.79 0.66 0.04 0.00 0.00 177.00 178.62 1pwh h SER 89 N -0.17 0.00 0.90 6.66 4.64 0.08 -0.79 113.55 124.87 1pwh h SER 89 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1pwh h SER 89 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1pwh h SER 89 CO 0.58 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 1pwh n THR 90 N -2.50 0.64 -2.43 2.95 -2.24 -1.26 -4.79 114.28 104.64 1pwh n THR 90 Ca -0.02 0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 1pwh n THR 90 Cb 0.16 -0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 67.51 1pwh n THR 90 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1pwh s THR 91 N -3.11 3.90 0.19 4.28 -1.32 -0.30 -4.97 115.64 114.30 1pwh s THR 91 Ca 0.09 1.46 -0.33 0.00 -1.21 0.00 0.00 61.69 61.70 1pwh s THR 91 Cb 0.12 -3.94 -0.14 0.00 -1.51 0.00 0.00 72.50 67.04 1pwh s THR 91 CO 0.44 0.17 1.48 -2.65 -2.21 0.00 0.00 174.62 171.85 1pwh n PRO 92 N 3.29 2.00 -0.22 7.08 -0.02 -1.26 -4.85 135.00 141.01 1pwh n PRO 92 Ca 0.07 0.72 0.14 0.00 -2.02 0.00 0.00 63.50 62.40 1pwh n PRO 92 Cb 0.46 -2.43 0.44 0.00 -0.02 0.00 0.00 33.50 31.95 1pwh n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pwh h ALA 93 N 5.08 1.97 0.00 3.55 0.00 -1.94 0.30 119.26 128.23 1pwh h ALA 93 Ca -0.45 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1pwh h ALA 93 Cb 1.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1pwh h ALA 93 CO 0.82 -0.20 -0.27 1.25 0.00 0.00 0.00 179.25 180.86 1pwh h LEU 94 N 0.56 0.00 -0.04 0.00 7.12 -1.99 -1.43 115.31 119.53 1pwh h LEU 94 Ca 0.42 0.00 -0.21 0.00 0.13 0.00 0.00 57.88 58.21 1pwh h LEU 94 Cb 0.80 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.91 1pwh h LEU 94 CO -0.17 0.27 -1.01 0.74 -0.13 0.00 0.00 178.44 178.14 1pwh h THR 95 N 0.00 1.66 0.32 1.05 2.02 -0.77 -2.37 112.91 114.81 1pwh h THR 95 Ca -0.00 -3.25 -0.02 0.00 0.77 0.00 0.00 66.41 63.91 1pwh h THR 95 Cb 0.48 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1pwh h THR 95 CO 0.03 0.93 -0.15 0.40 0.37 0.00 0.00 175.52 177.10 1pwh h ILE 96 N 0.02 0.71 -0.82 3.11 1.08 -0.49 -0.57 117.51 120.53 1pwh h ILE 96 Ca -0.03 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 1pwh h ILE 96 Cb 1.75 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 36.29 1pwh h ILE 96 CO 0.14 0.05 0.53 -0.33 -0.69 0.00 0.00 178.15 177.85 1pwh h GLU 97 N -0.56 1.02 -0.63 2.37 4.39 -1.36 -1.54 114.58 118.27 1pwh h GLU 97 Ca -0.04 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.64 1pwh h GLU 97 Cb 0.41 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1pwh h GLU 97 CO 0.07 0.68 0.37 -0.09 -1.16 0.00 0.00 179.01 178.88 1pwh h ARG 98 N 1.05 0.69 -0.34 2.33 9.65 -1.24 0.38 114.38 126.91 1pwh h ARG 98 Ca 0.32 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.19 1pwh h ARG 98 Cb -0.03 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.37 1pwh h ARG 98 CO -0.10 0.45 0.15 -0.07 2.80 0.00 0.00 179.97 183.20 1pwh h LEU 99 N 0.71 0.21 -0.92 3.80 4.07 -0.31 -2.39 115.31 120.48 1pwh h LEU 99 Ca 0.27 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.29 1pwh h LEU 99 Cb 0.10 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.77 1pwh h LEU 99 CO -0.14 0.16 0.60 0.11 -1.08 0.00 0.00 178.44 178.09 1pwh h LYS 100 N 0.32 1.12 0.00 1.13 1.57 -0.34 -1.99 116.57 118.38 1pwh h LYS 100 Ca 0.14 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1pwh h LYS 100 Cb 0.08 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1pwh h LYS 100 CO -0.12 0.74 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.52 1pwh h ASN 101 N 1.16 0.00 0.03 0.86 2.35 -0.45 0.24 115.58 119.77 1pwh h ASN 101 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1pwh h ASN 101 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1pwh h ASN 101 CO -0.12 0.08 0.00 -0.62 -1.65 0.00 0.00 177.43 175.12 1pwh n GLU 102 N -3.56 0.83 -0.42 0.81 -0.58 -0.76 -4.85 120.64 112.11 1pwh n GLU 102 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1pwh n GLU 102 Cb 0.20 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1pwh n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pwh n GLY 103 N 0.72 0.77 3.94 0.62 0.00 0.86 -4.69 105.19 107.40 1pwh n GLY 103 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1pwh n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwh s ALA 104 N -2.25 3.62 -0.14 4.61 0.00 -1.17 -4.73 121.76 121.70 1pwh s ALA 104 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1pwh s ALA 104 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1pwh s ALA 104 CO 0.00 -0.47 0.15 0.99 0.00 0.00 0.00 175.76 176.43 1pwh s THR 105 N -2.67 5.46 -0.05 0.00 2.01 -0.02 -4.23 115.64 116.14 1pwh s THR 105 Ca 0.49 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.76 1pwh s THR 105 Cb -0.10 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1pwh s THR 105 CO 0.40 0.55 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.06 1pwh s VAL 106 N -0.54 3.13 -0.21 3.82 1.01 -1.26 0.61 120.40 126.96 1pwh s VAL 106 Ca 0.13 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1pwh s VAL 106 Cb -0.12 -2.23 0.06 0.00 0.00 0.00 0.00 36.38 34.09 1pwh s VAL 106 CO 0.02 0.59 -0.02 -0.70 0.00 0.00 0.00 175.10 174.99 1pwh s GLU 107 N -0.74 1.28 -0.03 2.72 2.56 -0.41 -4.94 118.70 119.13 1pwh s GLU 107 Ca 0.12 -0.76 -0.18 0.00 0.00 0.00 0.00 54.97 54.15 1pwh s GLU 107 Cb -0.11 -2.38 -0.05 0.00 2.00 0.00 0.00 34.13 33.59 1pwh s GLU 107 CO 0.01 -0.60 0.51 0.08 -0.56 0.00 0.00 175.26 174.70 1pwh s VAL 108 N 1.57 5.00 -0.35 3.70 1.01 -1.26 -0.92 120.40 129.15 1pwh s VAL 108 Ca -0.04 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.04 1pwh s VAL 108 Cb -0.18 -3.84 0.16 0.00 0.00 0.00 0.00 36.38 32.52 1pwh s VAL 108 CO -0.07 0.44 0.45 0.54 0.00 0.00 0.00 175.10 176.46 1pwh s VAL 109 N -0.25 -0.59 0.36 2.92 0.11 -0.20 -4.94 120.40 117.81 1pwh s VAL 109 Ca 0.27 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1pwh s VAL 109 Cb -0.17 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1pwh s VAL 109 CO 0.14 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.18 1pwh n GLY 110 N 4.69 -2.05 0.17 6.54 0.00 -1.26 -4.48 105.19 108.80 1pwh n GLY 110 Ca 0.07 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 45.05 1pwh n GLY 110 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pwh n GLU 111 N -4.18 0.43 -3.09 1.61 0.28 -1.26 0.73 120.64 115.16 1pwh n GLU 111 Ca -0.00 -0.34 -0.40 0.00 -0.16 0.00 0.00 57.16 56.25 1pwh n GLU 111 Cb 0.64 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.96 1pwh n GLU 111 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1pwh s MET 112 N -2.81 4.18 0.55 3.44 -1.94 -1.26 -4.85 119.30 116.60 1pwh s MET 112 Ca 0.12 0.64 0.27 0.00 -1.71 0.00 0.00 55.69 55.01 1pwh s MET 112 Cb 0.17 -3.61 1.45 0.00 2.01 0.00 0.00 34.83 34.85 1pwh s MET 112 CO 0.75 -0.32 1.97 1.25 -0.01 0.00 0.00 175.02 178.66 1pwh h LEU 113 N 8.50 0.00 -1.13 -0.03 6.46 -1.91 0.60 115.31 127.81 1pwh h LEU 113 Ca -0.29 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.43 1pwh h LEU 113 Cb 1.13 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.04 1pwh h LEU 113 CO 0.78 0.00 0.16 0.44 -0.62 0.00 0.00 178.44 179.21 1pwh h ASP 114 N 0.00 0.72 0.20 1.25 3.32 -1.95 -0.69 116.42 119.28 1pwh h ASP 114 Ca 0.26 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 1pwh h ASP 114 Cb 1.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1pwh h ASP 114 CO -0.00 0.68 -0.46 -0.08 -1.72 0.00 0.00 179.24 177.66 1pwh h GLU 115 N 0.76 0.31 -0.03 3.56 4.81 -1.21 0.63 114.58 123.41 1pwh h GLU 115 Ca 0.18 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 1pwh h GLU 115 Cb 0.22 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1pwh h GLU 115 CO -0.01 0.71 -0.73 0.00 -0.73 0.00 0.00 179.01 178.26 1pwh h ALA 116 N 1.26 0.71 -0.15 2.92 0.00 -1.31 -1.68 119.26 121.00 1pwh h ALA 116 Ca 0.02 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 1pwh h ALA 116 Cb 0.91 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pwh h ALA 116 CO 0.08 0.82 -0.37 0.82 0.00 0.00 0.00 179.25 180.60 1pwh h ILE 117 N 0.13 1.35 -0.14 0.00 2.04 -0.92 -1.98 117.51 117.99 1pwh h ILE 117 Ca -0.02 -1.64 0.03 0.00 1.00 0.00 0.00 64.86 64.23 1pwh h ILE 117 Cb 1.29 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 39.35 1pwh h ILE 117 CO 0.11 0.49 -0.04 -0.61 0.00 0.00 0.00 178.15 178.10 1pwh h GLN 118 N 0.14 -0.01 -0.27 2.37 4.15 -0.80 -0.48 115.11 120.22 1pwh h GLN 118 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1pwh h GLN 118 Cb 0.98 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1pwh h GLN 118 CO 0.08 -0.01 0.14 1.25 -1.93 0.00 0.00 178.83 178.36 1pwh h LEU 119 N -0.02 0.34 -0.92 -2.39 5.85 -1.33 -0.89 115.31 115.97 1pwh h LEU 119 Ca 0.07 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1pwh h LEU 119 Cb 0.12 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 1pwh h LEU 119 CO -0.16 0.35 0.57 0.00 -0.34 0.00 0.00 178.44 178.87 1pwh h ALA 120 N 1.00 1.28 -0.09 1.25 0.00 -1.04 0.24 119.26 121.91 1pwh h ALA 120 Ca 0.09 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1pwh h ALA 120 Cb 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1pwh h ALA 120 CO -0.01 0.30 -0.72 0.87 0.00 0.00 0.00 179.25 179.68 1pwh h LYS 121 N 1.02 0.43 -0.45 0.00 1.57 -0.90 -1.85 116.57 116.38 1pwh h LYS 121 Ca 0.41 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1pwh h LYS 121 Cb 0.23 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1pwh h LYS 121 CO -0.19 0.98 0.18 0.00 -0.57 0.00 0.00 179.45 179.85 1pwh h ALA 122 N 0.92 1.46 -0.30 3.86 0.00 -0.27 0.26 119.26 125.19 1pwh h ALA 122 Ca -0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1pwh h ALA 122 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1pwh h ALA 122 CO 0.13 0.41 -0.27 -0.07 0.00 0.00 0.00 179.25 179.45 1pwh h LEU 123 N 0.64 0.76 -0.71 0.00 3.38 -0.77 -1.62 115.31 117.00 1pwh h LEU 123 Ca 0.16 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1pwh h LEU 123 Cb 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1pwh h LEU 123 CO -0.02 1.06 0.32 -0.08 0.09 0.00 0.00 178.44 179.81 1pwh h GLU 124 N 0.47 1.03 0.00 1.13 4.81 -0.55 -2.62 114.58 118.85 1pwh h GLU 124 Ca 0.05 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.00 1pwh h GLU 124 Cb 0.83 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1pwh h GLU 124 CO 0.07 0.83 -0.57 -0.22 -0.73 0.00 0.00 179.01 178.39 1pwh h LYS 125 N 1.00 0.00 -0.45 1.92 3.64 -0.90 -3.28 116.57 118.50 1pwh h LYS 125 Ca 0.24 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1pwh h LYS 125 Cb 0.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 1pwh h LYS 125 CO -0.03 0.57 0.07 0.09 -2.27 0.00 0.00 179.45 177.89 1pwh n ASN 126 N -3.68 3.97 -3.36 4.20 3.02 -0.62 -4.85 115.26 113.94 1pwh n ASN 126 Ca -0.01 -3.24 -0.13 0.00 -0.03 0.00 0.00 54.58 51.17 1pwh n ASN 126 Cb 0.61 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 39.06 1pwh n ASN 126 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1pwh s ASN 127 N -1.73 1.03 0.15 6.41 0.01 -1.00 -5.01 114.94 114.79 1pwh s ASN 127 Ca 0.47 -0.49 -0.34 0.00 -0.71 0.00 0.00 52.86 51.80 1pwh s ASN 127 Cb 0.39 0.79 -0.15 0.00 0.41 0.00 0.00 41.25 42.68 1pwh s ASN 127 CO 0.09 -0.36 1.31 -2.65 -1.51 0.00 0.00 177.10 173.98 1pwh n PRO 128 N 5.33 1.42 0.00 -0.60 -0.02 -1.26 -1.21 135.00 138.66 1pwh n PRO 128 Ca -0.01 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1pwh n PRO 128 Cb 0.48 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1pwh n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pwh n GLY 129 N 2.39 2.73 3.74 -1.23 0.00 -1.26 -4.87 105.19 106.68 1pwh n GLY 129 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1pwh n GLY 129 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pwh s TRP 130 N -2.22 3.67 -0.07 1.61 0.52 -0.35 -0.14 118.94 121.96 1pwh s TRP 130 Ca 0.00 1.67 0.03 0.00 0.02 0.00 0.00 56.10 57.82 1pwh s TRP 130 Cb 0.00 -3.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.12 1pwh s TRP 130 CO 0.00 -0.35 -0.18 0.08 0.02 0.00 0.00 176.95 176.52 1pwh s VAL 131 N -0.31 1.53 0.03 4.03 1.01 0.10 -4.78 120.40 122.00 1pwh s VAL 131 Ca 0.48 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 1pwh s VAL 131 Cb -0.28 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1pwh s VAL 131 CO 0.34 0.44 0.89 -0.47 0.00 0.00 0.00 175.10 176.30 1pwh s TYR 132 N 0.39 3.70 -0.30 5.22 6.14 -1.26 -1.42 117.35 129.81 1pwh s TYR 132 Ca -0.13 1.61 -0.02 0.00 0.64 0.00 0.00 57.07 59.17 1pwh s TYR 132 Cb -0.15 -3.00 0.05 0.00 0.42 0.00 0.00 41.96 39.28 1pwh s TYR 132 CO 0.05 0.11 0.01 0.42 0.64 0.00 0.00 175.55 176.78 1pwh s ILE 133 N 0.52 3.04 0.52 3.14 -1.09 0.58 -4.94 121.20 122.97 1pwh s ILE 133 Ca 0.46 -1.36 -0.20 0.00 -2.23 0.00 0.00 60.65 57.31 1pwh s ILE 133 Cb -0.21 -2.74 -0.06 0.00 -1.58 0.00 0.00 42.46 37.86 1pwh s ILE 133 CO 0.26 -0.11 1.14 -0.55 -1.23 0.00 0.00 174.94 174.46 1pwh s SER 134 N 1.26 5.83 0.35 3.58 0.15 -1.26 -4.02 113.70 119.59 1pwh s SER 134 Ca -0.05 2.22 0.27 0.00 0.70 0.00 0.00 55.95 59.09 1pwh s SER 134 Cb -0.20 -2.59 0.92 0.00 -1.71 0.00 0.00 66.02 62.45 1pwh s SER 134 CO -0.01 -1.15 1.78 -0.65 1.20 0.00 0.00 173.24 174.41 1pwh h PRO 135 N 1.43 0.00 0.00 5.44 0.11 -1.97 -3.43 132.00 133.57 1pwh h PRO 135 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pwh h PRO 135 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1pwh h PRO 135 CO 0.58 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.34 1pwh n PHE 136 N -2.60 -0.45 -3.61 0.65 1.16 -1.26 -4.90 117.46 106.45 1pwh n PHE 136 Ca 0.03 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.21 1pwh n PHE 136 Cb 0.35 0.13 -0.11 0.00 -1.61 0.00 0.00 39.48 38.24 1pwh n PHE 136 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1pwh s ASP 137 N -1.94 5.68 -0.29 5.98 3.84 -1.26 -4.35 116.67 124.32 1pwh s ASP 137 Ca 0.00 -1.06 -0.15 0.00 -0.00 0.00 0.00 52.55 51.34 1pwh s ASP 137 Cb 0.00 -2.00 0.15 0.00 -1.38 0.00 0.00 42.92 39.69 1pwh s ASP 137 CO 0.00 -0.39 0.97 -0.62 -0.00 0.00 0.00 175.17 175.13 1pwh s ASP 138 N 1.58 -0.55 0.59 2.11 3.68 -1.26 -4.89 116.67 117.92 1pwh s ASP 138 Ca 0.01 0.82 0.29 0.00 2.13 0.00 0.00 52.55 55.81 1pwh s ASP 138 Cb -0.20 1.42 1.38 0.00 -1.45 0.00 0.00 42.92 44.07 1pwh s ASP 138 CO 0.06 -0.12 1.76 1.55 0.13 0.00 0.00 175.17 178.55 1pwh h PRO 139 N 6.71 0.00 -0.54 4.34 0.13 -2.00 0.11 132.00 140.75 1pwh h PRO 139 Ca -0.23 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 1pwh h PRO 139 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1pwh h PRO 139 CO 0.15 0.00 -0.13 -0.07 -0.23 0.00 0.00 178.00 177.72 1pwh h LEU 140 N 0.00 1.05 0.26 1.56 -0.00 -1.96 0.39 115.31 116.61 1pwh h LEU 140 Ca 0.32 -0.36 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 1pwh h LEU 140 Cb 1.68 -0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 42.05 1pwh h LEU 140 CO -0.00 1.16 -0.15 0.40 -0.00 0.00 0.00 178.44 179.85 1pwh h ILE 141 N 0.92 0.68 -0.51 1.22 1.08 -0.94 -1.17 117.51 118.78 1pwh h ILE 141 Ca 0.14 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.63 1pwh h ILE 141 Cb 0.71 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 1pwh h ILE 141 CO 0.05 0.00 0.29 -0.50 -0.69 0.00 0.00 178.15 177.31 1pwh h TRP 142 N -0.40 0.55 -0.61 1.37 6.55 -1.42 -0.80 115.95 121.19 1pwh h TRP 142 Ca -0.03 0.02 0.10 0.00 0.95 0.00 0.00 58.89 59.93 1pwh h TRP 142 Cb 0.33 -0.17 -0.07 0.00 -0.86 0.00 0.00 29.16 28.38 1pwh h TRP 142 CO -0.08 0.31 0.22 1.49 -1.05 0.00 0.00 178.44 179.32 1pwh h GLU 143 N 0.58 0.38 -0.41 0.49 4.57 -0.67 -1.77 114.58 117.75 1pwh h GLU 143 Ca 0.21 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1pwh h GLU 143 Cb 0.04 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1pwh h GLU 143 CO -0.10 0.25 0.15 0.78 -1.18 0.00 0.00 179.01 178.91 1pwh h GLY 144 N 0.39 0.67 2.00 1.92 0.00 -0.38 -2.72 103.07 104.96 1pwh h GLY 144 Ca 0.31 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1pwh h GLY 144 CO -0.32 0.35 -0.00 0.45 0.00 0.00 0.00 176.54 177.02 1pwh h HIS 145 N 0.52 0.00 -1.10 5.60 3.86 -0.47 -2.53 115.15 121.03 1pwh h HIS 145 Ca 0.14 0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.65 1pwh h HIS 145 Cb 0.21 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.60 1pwh h HIS 145 CO 0.00 0.00 0.73 1.15 0.86 0.00 0.00 177.93 180.68 1pwh h THR 146 N 0.00 0.46 -1.01 2.45 2.02 -1.01 -1.02 112.91 114.80 1pwh h THR 146 Ca -0.00 -0.09 0.26 0.00 0.77 0.00 0.00 66.41 67.35 1pwh h THR 146 Cb 0.01 0.18 -0.08 0.00 -1.74 0.00 0.00 68.15 66.51 1pwh h THR 146 CO 0.00 0.05 0.67 0.77 0.37 0.00 0.00 175.52 177.38 1pwh h SER 147 N 0.26 0.38 -0.73 4.18 4.64 -1.61 -0.36 113.55 120.31 1pwh h SER 147 Ca 0.60 0.06 0.03 0.00 -0.47 0.00 0.00 61.79 62.01 1pwh h SER 147 Cb 1.79 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.84 1pwh h SER 147 CO -0.23 0.10 0.47 0.25 -0.87 0.00 0.00 176.83 176.54 1pwh h LEU 148 N 0.35 0.77 -0.34 5.97 6.46 -1.42 -1.33 115.31 125.76 1pwh h LEU 148 Ca 0.55 -0.01 -0.18 0.00 -0.12 0.00 0.00 57.88 58.12 1pwh h LEU 148 Cb 1.50 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1pwh h LEU 148 CO -0.23 0.54 -0.58 0.58 -0.62 0.00 0.00 178.44 178.13 1pwh h VAL 149 N 0.92 1.29 -1.00 1.05 2.07 -1.25 -2.52 116.25 116.81 1pwh h VAL 149 Ca 0.29 -1.79 0.08 0.00 0.82 0.00 0.00 66.70 66.10 1pwh h VAL 149 Cb -0.01 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1pwh h VAL 149 CO -0.10 0.57 0.64 0.11 0.02 0.00 0.00 177.57 178.81 1pwh h LYS 150 N 0.58 1.09 -0.19 1.57 1.57 -1.11 0.80 116.57 120.89 1pwh h LYS 150 Ca 0.00 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1pwh h LYS 150 Cb 1.18 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1pwh h LYS 150 CO 0.12 0.72 -0.25 0.93 -0.57 0.00 0.00 179.45 180.41 1pwh h GLU 151 N 1.12 0.34 -0.23 3.15 5.08 -1.08 -2.19 114.58 120.77 1pwh h GLU 151 Ca 0.44 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.49 1pwh h GLU 151 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1pwh h GLU 151 CO -0.19 0.57 -0.63 -0.07 -1.00 0.00 0.00 179.01 177.69 1pwh h LEU 152 N 0.31 0.91 -0.84 1.33 3.38 -0.58 -2.45 115.31 117.37 1pwh h LEU 152 Ca 0.05 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.52 1pwh h LEU 152 Cb 0.60 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1pwh h LEU 152 CO 0.04 1.31 0.55 0.50 0.09 0.00 0.00 178.44 180.93 1pwh h LYS 153 N 0.59 1.06 0.00 1.13 1.63 -0.59 0.24 116.57 120.63 1pwh h LYS 153 Ca -0.01 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1pwh h LYS 153 Cb 1.23 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 1pwh h LYS 153 CO 0.13 0.70 -0.32 1.05 -3.45 0.00 0.00 179.45 177.56 1pwh h GLU 154 N 1.09 0.00 0.10 1.90 4.11 -1.40 -3.36 114.58 117.02 1pwh h GLU 154 Ca 0.32 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.40 1pwh h GLU 154 Cb -0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1pwh h GLU 154 CO -0.09 0.18 -1.97 2.41 0.07 0.00 0.00 179.01 179.61 1pwh n THR 155 N -3.09 1.73 -2.44 -1.06 -1.04 -0.92 -4.95 114.28 102.51 1pwh n THR 155 Ca 0.02 -0.58 -0.38 0.00 -2.04 0.00 0.00 64.05 61.07 1pwh n THR 155 Cb 0.61 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 1pwh n THR 155 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1pwh s LEU 156 N -7.10 4.25 0.12 -4.42 1.43 0.81 -4.97 118.68 108.82 1pwh s LEU 156 Ca -0.24 2.20 -0.05 0.00 -1.03 0.00 0.00 54.13 55.01 1pwh s LEU 156 Cb 0.07 -4.00 -0.11 0.00 0.03 0.00 0.00 46.19 42.18 1pwh s LEU 156 CO 0.73 -0.48 1.29 0.28 0.23 0.00 0.00 176.35 178.41 1pwh h SER 157 N 2.84 0.55 -5.00 2.29 0.02 -1.90 -3.47 113.55 108.89 1pwh h SER 157 Ca -0.48 -0.44 -0.16 0.00 -0.84 0.00 0.00 61.79 59.87 1pwh h SER 157 Cb 1.22 -0.17 -0.15 0.00 0.14 0.00 0.00 62.40 63.44 1pwh h SER 157 CO 0.63 1.24 -0.69 0.00 -1.14 0.00 0.00 176.83 176.88 1pwh s ALA 158 N -3.25 0.65 0.37 3.77 0.00 -1.26 -5.13 121.76 116.91 1pwh s ALA 158 Ca -0.06 -1.21 -0.27 0.00 0.00 0.00 0.00 51.96 50.41 1pwh s ALA 158 Cb 0.09 0.22 -0.10 0.00 0.00 0.00 0.00 23.12 23.33 1pwh s ALA 158 CO 0.87 -0.30 1.30 -1.59 0.00 0.00 0.00 175.76 176.04 1pwh s LYS 159 N -3.71 4.17 0.91 0.00 -2.85 -1.26 -4.98 119.74 112.02 1pwh s LYS 159 Ca 0.07 2.18 -0.11 0.00 -1.00 0.00 0.00 55.97 57.11 1pwh s LYS 159 Cb 0.06 -2.92 0.14 0.00 -2.06 0.00 0.00 37.83 33.05 1pwh s LYS 159 CO -0.08 -0.33 1.09 -1.25 0.10 0.00 0.00 175.35 174.89 1pwh s PRO 160 N -2.01 1.11 0.35 1.78 0.04 -1.26 -4.86 135.00 130.14 1pwh s PRO 160 Ca 0.53 1.00 0.19 0.00 0.04 0.00 0.00 61.00 62.75 1pwh s PRO 160 Cb -0.39 -1.78 0.28 0.00 0.04 0.00 0.00 34.50 32.65 1pwh s PRO 160 CO 0.51 -2.39 1.55 0.78 0.04 0.00 0.00 177.00 177.48 1pwh h GLY 161 N -1.67 0.00 -3.16 0.56 0.00 -1.14 -3.46 103.07 94.20 1pwh h GLY 161 Ca -0.49 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.16 1pwh h GLY 161 CO 0.51 0.00 0.86 0.00 0.00 0.00 0.00 176.54 177.92 1pwh s ALA 162 N -3.13 -2.23 -0.04 3.60 0.00 -1.26 -4.23 121.76 114.46 1pwh s ALA 162 Ca 0.04 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.08 1pwh s ALA 162 Cb 0.07 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1pwh s ALA 162 CO 0.71 -0.90 -0.05 0.96 0.00 0.00 0.00 175.76 176.48 1pwh s ILE 163 N -2.33 0.55 -0.09 0.00 -5.25 -0.82 -1.17 121.20 112.09 1pwh s ILE 163 Ca 0.13 -0.14 -0.07 0.00 -0.99 0.00 0.00 60.65 59.59 1pwh s ILE 163 Cb 0.03 -0.57 -0.04 0.00 2.95 0.00 0.00 42.46 44.83 1pwh s ILE 163 CO -0.04 0.23 0.17 -0.69 -1.79 0.00 0.00 174.94 172.81 1pwh s VAL 164 N 0.87 5.46 0.05 8.37 1.01 0.18 -1.33 120.40 135.00 1pwh s VAL 164 Ca -0.12 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 1pwh s VAL 164 Cb -0.14 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.86 1pwh s VAL 164 CO 0.00 0.55 0.68 -1.48 0.00 0.00 0.00 175.10 174.86 1pwh s LEU 165 N -1.24 -0.57 0.19 3.92 0.05 -0.85 -1.17 118.68 119.01 1pwh s LEU 165 Ca 0.18 0.29 0.03 0.00 0.05 0.00 0.00 54.13 54.68 1pwh s LEU 165 Cb -0.12 2.48 -0.03 0.00 -2.05 0.00 0.00 46.19 46.46 1pwh s LEU 165 CO 0.08 -0.76 0.33 -0.94 -0.55 0.00 0.00 176.35 174.50 1pwh s SER 166 N -2.05 6.34 -0.09 1.48 1.04 -1.26 0.32 113.70 119.49 1pwh s SER 166 Ca -0.03 0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.61 1pwh s SER 166 Cb -0.01 -1.91 -0.01 0.00 0.10 0.00 0.00 66.02 64.19 1pwh s SER 166 CO -0.03 -0.00 -0.19 -0.69 0.98 0.00 0.00 173.24 173.31 1pwh s VAL 167 N -1.84 2.60 0.00 5.02 1.01 -0.18 -4.77 120.40 122.24 1pwh s VAL 167 Ca 0.35 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1pwh s VAL 167 Cb -0.10 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1pwh s VAL 167 CO 0.29 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1pwh n GLY 168 N 3.08 -0.01 0.01 4.51 0.00 -1.26 -4.79 105.19 106.73 1pwh n GLY 168 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1pwh n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwh n GLY 169 N 3.19 -0.53 0.00 -0.02 0.00 -1.26 -4.21 105.19 102.36 1pwh n GLY 169 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1pwh n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwh n GLY 170 N 1.69 0.88 0.17 -0.02 0.00 -1.26 -1.67 105.19 104.98 1pwh n GLY 170 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 1pwh n GLY 170 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pwh h GLY 171 N 0.00 0.53 0.97 -0.02 0.00 -1.93 0.44 103.07 103.07 1pwh h GLY 171 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1pwh h GLY 171 CO 0.00 0.13 0.12 -2.00 0.00 0.00 0.00 176.54 174.79 1pwh h LEU 172 N 0.43 0.74 -0.46 3.11 5.85 -1.90 -1.29 115.31 121.80 1pwh h LEU 172 Ca 0.16 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1pwh h LEU 172 Cb 0.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1pwh h LEU 172 CO -0.09 0.78 0.28 0.25 -0.34 0.00 0.00 178.44 179.32 1pwh h LEU 173 N 0.67 0.46 -0.66 2.25 6.46 -1.69 -1.00 115.31 121.80 1pwh h LEU 173 Ca 0.15 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1pwh h LEU 173 Cb 0.32 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1pwh h LEU 173 CO 0.00 0.33 0.27 0.00 -0.62 0.00 0.00 178.44 178.42 1pwh h GLY 175 N 0.93 0.33 1.58 0.00 0.00 -0.82 -2.33 103.07 102.77 1pwh h GLY 175 Ca 0.22 -0.20 -0.27 0.00 0.00 0.00 0.00 47.33 47.08 1pwh h GLY 175 CO -0.02 0.19 -1.20 -2.08 0.00 0.00 0.00 176.54 173.42 1pwh h VAL 176 N 0.30 1.46 -0.05 4.60 2.07 -0.73 -1.91 116.25 121.99 1pwh h VAL 176 Ca 0.06 -2.89 -0.16 0.00 0.82 0.00 0.00 66.70 64.53 1pwh h VAL 176 Cb 0.34 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1pwh h VAL 176 CO 0.02 0.85 -0.68 -0.37 0.02 0.00 0.00 177.57 177.41 1pwh h VAL 177 N 0.12 1.42 -0.27 2.57 -1.51 -1.31 0.61 116.25 117.87 1pwh h VAL 177 Ca -0.14 -2.16 -0.03 0.00 -1.23 0.00 0.00 66.70 63.14 1pwh h VAL 177 Cb 1.91 2.13 -0.01 0.00 -2.13 0.00 0.00 31.29 33.19 1pwh h VAL 177 CO 0.20 0.63 0.03 -0.61 -1.23 0.00 0.00 177.57 176.60 1pwh h GLN 178 N 0.15 0.46 -0.31 5.19 4.15 -1.45 -1.56 115.11 121.73 1pwh h GLN 178 Ca -0.02 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 1pwh h GLN 178 Cb 1.21 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 1pwh h GLN 178 CO 0.10 0.59 0.08 0.78 -1.93 0.00 0.00 178.83 178.45 1pwh h GLY 179 N 0.27 0.53 0.59 2.39 0.00 -1.22 -1.42 103.07 104.21 1pwh h GLY 179 Ca 0.08 -0.33 0.15 0.00 0.00 0.00 0.00 47.33 47.23 1pwh h GLY 179 CO 0.01 0.31 0.55 1.41 0.00 0.00 0.00 176.54 178.81 1pwh h LEU 180 N 0.34 0.55 0.15 3.11 4.07 -0.78 -1.68 115.31 121.08 1pwh h LEU 180 Ca 0.10 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1pwh h LEU 180 Cb 0.28 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1pwh h LEU 180 CO 0.00 0.28 -0.07 0.03 -1.08 0.00 0.00 178.44 177.60 1pwh h ARG 181 N 0.59 -0.19 0.00 1.13 3.08 -0.64 0.35 114.38 118.70 1pwh h ARG 181 Ca 0.42 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.48 1pwh h ARG 181 Cb 0.77 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1pwh h ARG 181 CO -0.17 0.26 0.00 -0.85 -1.07 0.00 0.00 179.97 178.14 1pwh n GLU 182 N -4.92 0.57 -0.00 0.04 0.28 -0.60 -2.30 120.64 113.72 1pwh n GLU 182 Ca -0.08 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 56.97 1pwh n GLU 182 Cb 0.27 -1.43 -0.07 0.00 1.43 0.00 0.00 31.44 31.64 1pwh n GLU 182 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1pwh n VAL 183 N -0.93 0.00 -0.32 3.84 0.31 -0.65 -5.00 118.33 115.58 1pwh n VAL 183 Ca 0.12 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1pwh n VAL 183 Cb 0.05 0.68 0.00 0.00 -0.91 0.00 0.00 33.84 33.66 1pwh n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pwh n GLY 184 N 1.51 0.81 1.83 2.92 0.00 -0.97 -4.99 105.19 106.30 1pwh n GLY 184 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1pwh n GLY 184 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pwh n TRP 185 N -2.32 2.34 0.61 1.61 8.01 0.12 -4.77 117.44 123.03 1pwh n TRP 185 Ca 0.00 -2.23 0.05 0.00 -1.31 0.00 0.00 57.50 54.01 1pwh n TRP 185 Cb 0.00 -0.64 0.29 0.00 -2.01 0.00 0.00 31.31 28.95 1pwh n TRP 185 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.69 175.83 1pwh n GLU 186 N -0.88 0.28 0.00 -0.99 0.00 -1.11 -1.69 120.64 116.25 1pwh n GLU 186 Ca 0.45 0.04 0.10 0.00 0.00 0.00 0.00 57.16 57.76 1pwh n GLU 186 Cb 0.91 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.88 1pwh n GLU 186 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1pwh n ASP 187 N -1.07 2.17 -4.64 -1.84 3.85 -1.26 -4.75 116.55 109.02 1pwh n ASP 187 Ca 0.07 -1.59 -0.43 0.00 -0.71 0.00 0.00 54.79 52.14 1pwh n ASP 187 Cb 0.05 0.33 -0.02 0.00 -1.35 0.00 0.00 41.12 40.12 1pwh n ASP 187 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pwh s VAL 188 N -2.12 4.25 0.60 2.12 1.01 -0.68 -4.96 120.40 120.62 1pwh s VAL 188 Ca 0.19 1.44 -0.17 0.00 0.00 0.00 0.00 61.98 63.44 1pwh s VAL 188 Cb 0.17 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1pwh s VAL 188 CO 0.44 -0.40 1.13 -2.16 0.00 0.00 0.00 175.10 174.10 1pwh s PRO 189 N 3.91 3.04 -0.06 2.72 0.04 -1.26 -4.79 135.00 138.61 1pwh s PRO 189 Ca 0.54 1.53 0.03 0.00 0.04 0.00 0.00 61.00 63.14 1pwh s PRO 189 Cb -0.17 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1pwh s PRO 189 CO 0.19 -1.09 -0.14 0.42 0.04 0.00 0.00 177.00 176.42 1pwh s ILE 190 N -2.02 3.05 -0.41 0.56 1.01 0.10 -1.95 121.20 121.54 1pwh s ILE 190 Ca 0.71 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 1pwh s ILE 190 Cb -0.23 -2.20 0.11 0.00 0.01 0.00 0.00 42.46 40.15 1pwh s ILE 190 CO 0.34 0.59 0.21 -0.63 0.00 0.00 0.00 174.94 175.45 1pwh s ILE 191 N -0.65 3.30 -0.22 2.92 1.01 -0.44 0.04 121.20 127.17 1pwh s ILE 191 Ca 0.10 -2.05 -0.26 0.00 0.00 0.00 0.00 60.65 58.44 1pwh s ILE 191 Cb -0.11 -3.26 -0.00 0.00 0.01 0.00 0.00 42.46 39.09 1pwh s ILE 191 CO 0.01 -0.69 0.90 0.00 0.00 0.00 0.00 174.94 175.16 1pwh s ALA 192 N 1.15 3.62 -0.04 9.38 0.00 0.91 -2.00 121.76 134.77 1pwh s ALA 192 Ca 0.08 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.09 1pwh s ALA 192 Cb -0.23 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1pwh s ALA 192 CO -0.04 -0.89 -0.11 -1.64 0.00 0.00 0.00 175.76 173.08 1pwh s MET 193 N 2.75 2.56 0.11 0.00 -1.94 0.15 -0.72 119.30 122.21 1pwh s MET 193 Ca 0.39 -0.67 -0.14 0.00 -1.71 0.00 0.00 55.69 53.56 1pwh s MET 193 Cb -0.16 -2.45 0.02 0.00 2.01 0.00 0.00 34.83 34.26 1pwh s MET 193 CO 0.09 0.63 0.34 -1.83 -0.01 0.00 0.00 175.02 174.23 1pwh s GLU 194 N -0.90 0.99 0.31 2.03 -1.05 -0.98 -1.01 118.70 118.09 1pwh s GLU 194 Ca 0.13 -0.77 -0.07 0.00 -0.15 0.00 0.00 54.97 54.11 1pwh s GLU 194 Cb -0.11 0.43 -0.06 0.00 -0.44 0.00 0.00 34.13 33.95 1pwh s GLU 194 CO 0.02 -0.37 0.60 0.95 0.95 0.00 0.00 175.26 177.42 1pwh s THR 195 N -3.75 4.96 0.09 1.83 -4.23 -1.25 -0.30 115.64 112.99 1pwh s THR 195 Ca 0.03 0.24 -0.31 0.00 -1.18 0.00 0.00 61.69 60.47 1pwh s THR 195 Cb 0.03 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.08 1pwh s THR 195 CO -0.11 -0.33 1.26 0.12 -0.54 0.00 0.00 174.62 175.02 1pwh s PHE 196 N -2.11 3.37 0.00 3.99 2.19 0.01 -2.15 117.98 123.28 1pwh s PHE 196 Ca 0.46 1.19 0.00 0.00 0.33 0.00 0.00 56.93 58.91 1pwh s PHE 196 Cb -0.11 -3.51 0.00 0.00 -1.31 0.00 0.00 43.02 38.09 1pwh s PHE 196 CO 0.29 -1.65 0.00 0.41 1.83 0.00 0.00 175.22 176.10 1pwh n GLY 197 N 3.21 0.74 1.21 13.12 0.00 -1.26 -4.32 105.19 117.89 1pwh n GLY 197 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1pwh n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwh n ALA 198 N -1.01 3.17 -1.69 4.61 0.00 -0.91 0.04 120.51 124.71 1pwh n ALA 198 Ca 0.00 -1.39 -0.32 0.00 0.00 0.00 0.00 53.44 51.73 1pwh n ALA 198 Cb 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 1pwh n ALA 198 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1pwh n HIS 199 N 0.21 2.07 0.20 0.00 1.44 -1.06 -4.58 115.22 113.51 1pwh n HIS 199 Ca -0.14 -2.14 0.04 0.00 -2.01 0.00 0.00 57.72 53.47 1pwh n HIS 199 Cb 0.89 -1.37 0.43 0.00 0.12 0.00 0.00 29.99 30.06 1pwh n HIS 199 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1pwh h SER 200 N 3.20 0.00 -0.22 4.39 4.64 -1.88 -1.32 113.55 122.38 1pwh h SER 200 Ca 0.47 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.60 1pwh h SER 200 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1pwh h SER 200 CO 1.08 0.28 -0.62 0.15 -0.87 0.00 0.00 176.83 176.86 1pwh h PHE 201 N 0.00 1.06 -0.49 4.77 -0.00 -1.88 -2.43 116.94 117.97 1pwh h PHE 201 Ca -0.00 -0.40 -0.13 0.00 -0.00 0.00 0.00 57.97 57.43 1pwh h PHE 201 Cb 0.51 -0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 36.25 1pwh h PHE 201 CO 0.00 1.23 -0.20 1.25 -0.00 0.00 0.00 178.31 180.59 1pwh h HIS 202 N 0.61 1.14 -0.55 0.41 2.76 -1.87 -1.99 115.15 115.66 1pwh h HIS 202 Ca -0.01 -0.27 -0.02 0.00 -2.20 0.00 0.00 60.37 57.88 1pwh h HIS 202 Cb 1.23 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 1pwh h HIS 202 CO 0.07 1.10 0.28 0.00 -1.30 0.00 0.00 177.93 178.08 1pwh h ALA 203 N 0.89 0.71 0.16 5.26 0.00 -1.24 -0.38 119.26 124.66 1pwh h ALA 203 Ca 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pwh h ALA 203 Cb 0.78 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pwh h ALA 203 CO 0.06 0.26 -0.09 0.00 0.00 0.00 0.00 179.25 179.48 1pwh h ALA 204 N 1.11 -0.24 -0.37 0.00 0.00 -1.27 -1.50 119.26 117.00 1pwh h ALA 204 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1pwh h ALA 204 Cb 0.09 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1pwh h ALA 204 CO -0.03 -0.64 0.23 0.28 0.00 0.00 0.00 179.25 179.10 1pwh h VAL 205 N -0.25 1.07 -0.30 0.00 2.07 -1.25 0.53 116.25 118.12 1pwh h VAL 205 Ca -0.02 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1pwh h VAL 205 Cb 0.20 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1pwh h VAL 205 CO 0.02 0.09 0.17 0.50 0.02 0.00 0.00 177.57 178.36 1pwh h LYS 206 N 0.48 0.41 -0.11 1.57 1.63 -0.86 -2.61 116.57 117.07 1pwh h LYS 206 Ca 0.14 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1pwh h LYS 206 Cb -0.03 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1pwh h LYS 206 CO -0.05 0.30 0.00 0.39 -3.45 0.00 0.00 179.45 176.65 1pwh n GLU 207 N -4.46 2.19 -0.57 1.90 1.02 -0.58 -4.98 120.64 115.16 1pwh n GLU 207 Ca 0.01 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.23 1pwh n GLU 207 Cb 0.09 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1pwh n GLU 207 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pwh n GLY 208 N 1.29 0.97 3.14 0.62 0.00 0.15 -4.95 105.19 106.41 1pwh n GLY 208 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1pwh n GLY 208 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pwh s LYS 209 N -0.27 0.65 0.04 1.61 0.00 -1.07 -5.00 119.74 115.69 1pwh s LYS 209 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 55.97 54.90 1pwh s LYS 209 Cb 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 37.83 38.03 1pwh s LYS 209 CO 0.00 -0.17 1.31 -0.48 0.00 0.00 0.00 175.35 176.01 1pwh s LEU 210 N -2.24 4.34 0.36 2.77 2.34 -1.26 -4.32 118.68 120.68 1pwh s LEU 210 Ca -0.03 2.10 0.08 0.00 0.06 0.00 0.00 54.13 56.34 1pwh s LEU 210 Cb 0.00 -3.57 -0.05 0.00 -0.56 0.00 0.00 46.19 42.01 1pwh s LEU 210 CO -0.05 -0.61 0.15 0.68 -1.06 0.00 0.00 176.35 175.45 1pwh s VAL 211 N 1.62 2.74 -0.18 1.48 -7.23 -1.26 -5.01 120.40 112.56 1pwh s VAL 211 Ca 0.62 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1pwh s VAL 211 Cb -0.31 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.68 1pwh s VAL 211 CO 0.28 -0.12 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.88 1pwh s THR 212 N -2.49 2.31 -0.11 5.32 2.01 -1.26 -4.44 115.64 116.99 1pwh s THR 212 Ca 0.39 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1pwh s THR 212 Cb -0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1pwh s THR 212 CO 0.22 0.52 1.47 -0.76 -0.69 0.00 0.00 174.62 175.39 1pwh s LEU 213 N 1.25 4.25 0.38 4.42 1.02 0.16 -4.89 118.68 125.27 1pwh s LEU 213 Ca 0.03 1.98 0.07 0.00 0.02 0.00 0.00 54.13 56.24 1pwh s LEU 213 Cb -0.14 -3.54 0.81 0.00 0.02 0.00 0.00 46.19 43.35 1pwh s LEU 213 CO -0.10 -0.85 1.99 1.55 0.02 0.00 0.00 176.35 178.96 1pwh h PRO 214 N 8.93 0.64 -3.74 1.29 0.13 -1.98 -3.43 132.00 133.83 1pwh h PRO 214 Ca -0.33 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.58 1pwh h PRO 214 Cb 1.14 -0.14 -0.23 0.00 0.13 0.00 0.00 31.00 31.89 1pwh h PRO 214 CO 0.96 0.42 -0.64 0.15 -0.23 0.00 0.00 178.00 178.66 1pwh s LYS 215 N -5.59 0.25 -0.62 0.86 1.02 -1.26 -5.09 119.74 109.31 1pwh s LYS 215 Ca -0.09 -0.30 -0.19 0.00 0.02 0.00 0.00 55.97 55.41 1pwh s LYS 215 Cb 0.19 0.10 0.11 0.00 -0.52 0.00 0.00 37.83 37.70 1pwh s LYS 215 CO 0.76 -0.05 0.74 0.42 -0.92 0.00 0.00 175.35 176.31 1pwh s ILE 216 N -0.86 4.80 -2.06 2.17 -1.09 -1.26 -4.85 121.20 118.06 1pwh s ILE 216 Ca -0.09 -1.02 0.18 0.00 -2.23 0.00 0.00 60.65 57.49 1pwh s ILE 216 Cb -0.06 -4.52 0.49 0.00 -1.58 0.00 0.00 42.46 36.80 1pwh s ILE 216 CO -0.00 -1.17 1.42 1.07 -1.23 0.00 0.00 174.94 175.04 1pwh n THR 217 N 5.52 0.70 -3.19 2.92 5.66 0.11 -4.94 114.28 121.06 1pwh n THR 217 Ca -0.07 -0.73 -0.24 0.00 -3.05 0.00 0.00 64.05 59.96 1pwh n THR 217 Cb 0.43 0.43 -0.00 0.00 -1.55 0.00 0.00 70.33 69.63 1pwh n THR 217 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1pwh s SER 218 N -1.07 6.12 0.40 1.09 0.15 -0.83 -4.83 113.70 114.72 1pwh s SER 218 Ca 0.38 0.41 0.24 0.00 0.70 0.00 0.00 55.95 57.67 1pwh s SER 218 Cb 0.20 -1.85 0.42 0.00 -1.71 0.00 0.00 66.02 63.08 1pwh s SER 218 CO 0.26 -0.46 1.63 -0.37 1.20 0.00 0.00 173.24 175.50 1pwh h VAL 219 N 0.59 0.00 0.00 4.45 -1.51 -1.92 -3.38 116.25 114.49 1pwh h VAL 219 Ca -0.48 -0.91 -0.69 0.00 -1.23 0.00 0.00 66.70 63.39 1pwh h VAL 219 Cb 1.23 1.90 -0.02 0.00 -2.13 0.00 0.00 31.29 32.27 1pwh h VAL 219 CO 0.60 0.00 3.28 0.00 -1.23 0.00 0.00 177.57 180.22 1pwh n ALA 220 N -2.05 5.97 -0.06 5.19 0.00 -1.26 -4.75 120.51 123.56 1pwh n ALA 220 Ca 0.04 -3.73 0.22 0.00 0.00 0.00 0.00 53.44 49.97 1pwh n ALA 220 Cb 0.51 -3.49 0.69 0.00 0.00 0.00 0.00 19.45 17.16 1pwh n ALA 220 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1pwh h LYS 221 N 5.83 0.03 0.00 0.00 1.79 -1.97 0.23 116.57 122.47 1pwh h LYS 221 Ca 0.64 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 1pwh h LYS 221 Cb 0.54 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1pwh h LYS 221 CO 1.86 0.02 0.00 0.00 -1.08 0.00 0.00 179.45 180.25 1pwh n ALA 222 N -2.65 1.47 0.80 3.86 0.00 -1.26 0.12 120.51 122.85 1pwh n ALA 222 Ca 0.12 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1pwh n ALA 222 Cb 0.70 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 1pwh n ALA 222 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pwh n LEU 223 N -1.58 1.78 -2.85 0.00 4.32 0.06 -4.74 117.00 114.00 1pwh n LEU 223 Ca 0.02 -0.77 -0.09 0.00 -0.02 0.00 0.00 56.01 55.15 1pwh n LEU 223 Cb 0.13 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.90 1pwh n LEU 223 CO 0.10 0.34 1.45 0.61 -1.22 0.00 0.00 177.39 178.67 1pwh n GLY 224 N 1.23 2.18 3.31 -0.72 0.00 0.12 -4.52 105.19 106.79 1pwh n GLY 224 Ca 0.08 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 1pwh n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pwh s VAL 225 N 3.54 4.35 0.65 1.61 1.01 -1.26 -4.78 120.40 125.52 1pwh s VAL 225 Ca 0.21 -1.20 0.24 0.00 0.00 0.00 0.00 61.98 61.23 1pwh s VAL 225 Cb 0.07 -3.58 0.26 0.00 0.00 0.00 0.00 36.38 33.14 1pwh s VAL 225 CO -0.01 -0.41 1.71 0.78 0.00 0.00 0.00 175.10 177.17 1pwh h ASN 226 N 8.42 0.00 -2.17 3.32 4.21 -1.87 -3.39 115.58 124.10 1pwh h ASN 226 Ca -0.24 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.26 1pwh h ASN 226 Cb 1.09 0.00 -0.24 0.00 -1.12 0.00 0.00 38.32 38.05 1pwh h ASN 226 CO 0.73 0.00 -0.26 0.28 -1.29 0.00 0.00 177.43 176.88 1pwh s THR 227 N -4.20 -0.82 0.83 2.81 -1.32 -1.26 0.37 115.64 112.06 1pwh s THR 227 Ca -0.03 0.07 -0.12 0.00 -1.21 0.00 0.00 61.69 60.41 1pwh s THR 227 Cb 0.09 -0.84 0.10 0.00 -1.51 0.00 0.00 72.50 70.34 1pwh s THR 227 CO 0.29 0.03 1.16 0.68 -2.21 0.00 0.00 174.62 174.56 1pwh s VAL 228 N 2.75 2.34 0.57 5.08 -7.23 -1.26 -4.97 120.40 117.68 1pwh s VAL 228 Ca -0.01 0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 60.09 1pwh s VAL 228 Cb -0.12 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1pwh s VAL 228 CO -0.16 -0.13 1.19 -0.83 -0.31 0.00 0.00 175.10 174.86 1pwh s GLY 229 N -2.59 2.72 0.26 2.32 0.00 -0.67 -4.91 107.32 104.45 1pwh s GLY 229 Ca 0.68 0.97 -0.03 0.00 0.00 0.00 0.00 44.72 46.34 1pwh s GLY 229 CO 0.54 1.36 1.89 0.00 0.00 0.00 0.00 173.10 176.88 1pwh h ALA 230 N 1.09 1.38 -0.51 3.20 0.00 -1.93 -1.65 119.26 120.85 1pwh h ALA 230 Ca -0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1pwh h ALA 230 Cb 1.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1pwh h ALA 230 CO 0.56 0.46 0.18 0.37 0.00 0.00 0.00 179.25 180.83 1pwh h GLN 231 N 1.19 0.74 0.41 0.00 5.75 -1.95 0.52 115.11 121.77 1pwh h GLN 231 Ca 0.43 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.79 1pwh h GLN 231 Cb 0.14 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1pwh h GLN 231 CO -0.17 0.62 -0.20 1.15 -2.65 0.00 0.00 178.83 177.59 1pwh h THR 232 N 0.73 0.59 -0.61 2.39 2.02 -1.59 -0.80 112.91 115.64 1pwh h THR 232 Ca 0.17 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1pwh h THR 232 Cb 0.18 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1pwh h THR 232 CO -0.01 0.01 0.31 0.25 0.37 0.00 0.00 175.52 176.45 1pwh h LEU 233 N -0.58 0.78 -0.29 2.58 5.85 -1.26 -2.72 115.31 119.66 1pwh h LEU 233 Ca -0.06 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1pwh h LEU 233 Cb 0.44 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1pwh h LEU 233 CO 0.09 0.67 -0.03 0.50 -0.34 0.00 0.00 178.44 179.34 1pwh h LYS 234 N 0.83 0.05 -0.03 1.25 3.64 -0.74 -1.49 116.57 120.08 1pwh h LYS 234 Ca 0.21 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1pwh h LYS 234 Cb 0.08 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1pwh h LYS 234 CO -0.03 0.03 0.04 -0.07 -2.27 0.00 0.00 179.45 177.15 1pwh h LEU 235 N 0.05 0.00 -1.68 5.20 4.07 -0.85 -2.38 115.31 119.72 1pwh h LEU 235 Ca 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 1pwh h LEU 235 Cb 0.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1pwh h LEU 235 CO -0.26 0.00 0.18 0.15 -1.08 0.00 0.00 178.44 177.43 1pwh h PHE 236 N 0.00 0.38 -0.01 1.13 3.04 -1.00 -1.00 116.94 119.49 1pwh h PHE 236 Ca 0.02 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1pwh h PHE 236 Cb 0.09 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1pwh h PHE 236 CO 0.00 0.25 -0.34 0.66 -2.02 0.00 0.00 178.31 176.86 1pwh n TYR 237 N -4.48 0.00 -0.01 0.41 4.02 -0.90 -4.11 117.16 112.09 1pwh n TYR 237 Ca 0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.98 1pwh n TYR 237 Cb 0.08 -0.16 -0.13 0.00 -0.02 0.00 0.00 39.34 39.10 1pwh n TYR 237 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1pwh n GLU 238 N -0.93 0.58 -4.17 -0.72 1.02 -0.53 -4.99 120.64 110.90 1pwh n GLU 238 Ca 0.10 -0.15 -0.18 0.00 -0.02 0.00 0.00 57.16 56.91 1pwh n GLU 238 Cb 0.34 -1.41 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 1pwh n GLU 238 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1pwh s HIS 239 N -3.15 1.16 -0.68 -0.32 2.46 -0.49 -5.07 115.29 109.19 1pwh s HIS 239 Ca -0.06 -0.46 -0.26 0.00 0.47 0.00 0.00 55.06 54.75 1pwh s HIS 239 Cb 0.11 -0.66 -0.04 0.00 -0.13 0.00 0.00 32.58 31.86 1pwh s HIS 239 CO 0.72 0.04 1.98 -1.25 -2.47 0.00 0.00 174.74 173.76 1pwh s PRO 240 N -1.69 2.49 -0.10 2.88 0.04 -1.26 -4.71 135.00 132.64 1pwh s PRO 240 Ca -0.03 0.46 0.03 0.00 0.04 0.00 0.00 61.00 61.51 1pwh s PRO 240 Cb -0.10 -4.61 0.01 0.00 0.04 0.00 0.00 34.50 29.84 1pwh s PRO 240 CO 0.02 -3.06 -0.21 0.42 0.04 0.00 0.00 177.00 174.21 1pwh s ILE 241 N 10.03 1.85 -0.21 0.56 1.01 -1.26 -0.72 121.20 132.45 1pwh s ILE 241 Ca 0.73 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 1pwh s ILE 241 Cb -0.12 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1pwh s ILE 241 CO 0.15 0.51 0.29 -0.36 0.00 0.00 0.00 174.94 175.53 1pwh s PHE 242 N 0.56 3.37 -0.42 3.97 0.40 0.11 -4.96 117.98 121.01 1pwh s PHE 242 Ca -0.15 0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 56.54 1pwh s PHE 242 Cb -0.17 -2.39 0.06 0.00 0.51 0.00 0.00 43.02 41.03 1pwh s PHE 242 CO 0.05 0.08 0.27 0.45 0.70 0.00 0.00 175.22 176.77 1pwh s SER 243 N 0.90 5.80 0.09 1.36 0.15 -1.26 -0.06 113.70 120.67 1pwh s SER 243 Ca 0.14 -1.29 0.08 0.00 0.70 0.00 0.00 55.95 55.58 1pwh s SER 243 Cb -0.14 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1pwh s SER 243 CO 0.05 -0.51 -0.16 -1.61 1.20 0.00 0.00 173.24 172.22 1pwh s GLU 244 N 1.52 1.96 -0.05 5.44 8.01 0.10 -4.98 118.70 130.69 1pwh s GLU 244 Ca 0.03 -1.08 0.04 0.00 0.01 0.00 0.00 54.97 53.97 1pwh s GLU 244 Cb -0.22 -2.19 -0.00 0.00 -4.31 0.00 0.00 34.13 27.41 1pwh s GLU 244 CO 0.05 0.51 -0.18 0.54 0.01 0.00 0.00 175.26 176.18 1pwh s VAL 245 N -1.11 1.51 0.23 2.63 0.11 -1.26 -2.31 120.40 120.20 1pwh s VAL 245 Ca 0.18 -0.75 0.09 0.00 -2.93 0.00 0.00 61.98 58.57 1pwh s VAL 245 Cb -0.11 -1.30 -0.05 0.00 -1.53 0.00 0.00 36.38 33.39 1pwh s VAL 245 CO 0.10 0.43 -0.16 -0.51 -3.33 0.00 0.00 175.10 171.63 1pwh s ILE 246 N 0.13 1.99 0.52 7.04 1.10 0.59 -4.91 121.20 127.65 1pwh s ILE 246 Ca -0.07 -2.26 -0.14 0.00 -0.51 0.00 0.00 60.65 57.67 1pwh s ILE 246 Cb -0.13 -2.12 -0.07 0.00 0.15 0.00 0.00 42.46 40.29 1pwh s ILE 246 CO 0.03 -0.52 0.95 -0.94 -2.11 0.00 0.00 174.94 172.36 1pwh s SER 247 N -3.35 6.51 0.27 4.50 1.04 -1.26 -0.81 113.70 120.60 1pwh s SER 247 Ca 0.25 1.45 -0.01 0.00 0.48 0.00 0.00 55.95 58.12 1pwh s SER 247 Cb -0.02 -2.46 0.49 0.00 0.10 0.00 0.00 66.02 64.12 1pwh s SER 247 CO 0.10 -0.61 1.84 0.44 0.98 0.00 0.00 173.24 175.98 1pwh h ASP 248 N 0.69 0.88 -0.26 7.02 3.45 -1.95 -1.47 116.42 124.78 1pwh h ASP 248 Ca -0.46 0.04 0.04 0.00 0.43 0.00 0.00 57.03 57.08 1pwh h ASP 248 Cb 1.19 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.78 1pwh h ASP 248 CO 0.62 0.49 -0.00 1.56 -1.57 0.00 0.00 179.24 180.34 1pwh h GLN 249 N 0.97 0.08 0.00 3.56 7.50 -1.93 0.39 115.11 125.68 1pwh h GLN 249 Ca 0.46 -0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.59 1pwh h GLN 249 Cb 0.40 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 1pwh h GLN 249 CO -0.24 0.05 -0.09 0.93 -1.50 0.00 0.00 178.83 177.98 1pwh h GLU 250 N 0.08 0.00 0.19 1.46 5.08 -1.68 0.31 114.58 120.02 1pwh h GLU 250 Ca 0.12 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.18 1pwh h GLU 250 Cb 0.16 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.44 1pwh h GLU 250 CO -0.21 0.09 -1.31 0.00 -1.00 0.00 0.00 179.01 176.58 1pwh h ALA 251 N 1.91 -0.10 -0.04 3.43 0.00 -0.54 -2.20 119.26 121.73 1pwh h ALA 251 Ca -0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 54.91 53.96 1pwh h ALA 251 Cb 0.16 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1pwh h ALA 251 CO 0.01 0.65 -0.62 0.28 0.00 0.00 0.00 179.25 179.56 1pwh h VAL 252 N 0.14 1.42 -0.26 0.00 2.07 -0.53 -2.16 116.25 116.92 1pwh h VAL 252 Ca -0.22 -2.07 -0.09 0.00 0.82 0.00 0.00 66.70 65.14 1pwh h VAL 252 Cb 2.01 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.85 1pwh h VAL 252 CO 0.25 0.60 -0.21 0.74 0.02 0.00 0.00 177.57 178.97 1pwh h THR 253 N 0.10 1.25 -0.48 2.57 2.02 -0.43 -2.43 112.91 115.50 1pwh h THR 253 Ca -0.01 -1.18 -0.12 0.00 0.77 0.00 0.00 66.41 65.86 1pwh h THR 253 Cb 1.12 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1pwh h THR 253 CO 0.09 0.38 -0.19 0.00 0.37 0.00 0.00 175.52 176.17 1pwh h ALA 254 N 1.35 0.75 -0.64 6.16 0.00 -0.96 -1.72 119.26 124.20 1pwh h ALA 254 Ca 0.07 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1pwh h ALA 254 Cb 0.61 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1pwh h ALA 254 CO 0.04 0.67 0.41 0.82 0.00 0.00 0.00 179.25 181.19 1pwh h ILE 255 N 0.84 1.12 -0.33 0.00 2.04 -1.03 0.11 117.51 120.25 1pwh h ILE 255 Ca 0.12 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1pwh h ILE 255 Cb 0.75 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1pwh h ILE 255 CO 0.06 0.15 0.08 -0.08 0.00 0.00 0.00 178.15 178.36 1pwh h GLU 256 N 0.82 0.54 -0.24 2.37 4.81 -1.24 -1.96 114.58 119.68 1pwh h GLU 256 Ca 0.25 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 1pwh h GLU 256 Cb -0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1pwh h GLU 256 CO -0.08 0.60 -0.46 0.87 -0.73 0.00 0.00 179.01 179.21 1pwh h LYS 257 N 0.38 0.63 -0.33 1.92 1.57 -1.09 -3.25 116.57 116.41 1pwh h LYS 257 Ca 0.10 -0.35 -0.16 0.00 -1.87 0.00 0.00 60.65 58.37 1pwh h LYS 257 Cb 0.30 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1pwh h LYS 257 CO 0.00 0.96 -0.44 0.35 -0.57 0.00 0.00 179.45 179.75 1pwh h PHE 258 N 0.50 1.07 -0.01 -1.35 3.57 -0.68 0.22 116.94 120.26 1pwh h PHE 258 Ca 0.03 -0.35 -0.05 0.00 3.53 0.00 0.00 57.97 61.13 1pwh h PHE 258 Cb 1.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1pwh h PHE 258 CO 0.05 1.17 -0.22 -0.24 -2.23 0.00 0.00 178.31 176.83 1pwh h VAL 259 N 0.66 1.17 0.13 1.41 3.04 -1.18 0.25 116.25 121.73 1pwh h VAL 259 Ca 0.04 -0.79 -0.30 0.00 -1.01 0.00 0.00 66.70 64.64 1pwh h VAL 259 Cb 1.04 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1pwh h VAL 259 CO 0.10 0.23 -1.44 0.44 -1.01 0.00 0.00 177.57 175.89 1pwh h ASP 260 N 0.02 0.42 -0.11 3.17 3.45 -1.56 -1.57 116.42 120.23 1pwh h ASP 260 Ca 0.00 -0.53 -0.20 0.00 0.43 0.00 0.00 57.03 56.74 1pwh h ASP 260 Cb 0.41 -0.14 0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1pwh h ASP 260 CO 0.03 1.43 -0.69 0.44 -1.57 0.00 0.00 179.24 178.88 1pwh h ASP 261 N 0.07 0.80 0.00 6.45 3.45 -0.47 -3.38 116.42 123.34 1pwh h ASP 261 Ca -0.21 -0.66 0.00 0.00 0.43 0.00 0.00 57.03 56.59 1pwh h ASP 261 Cb 2.01 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 40.54 1pwh h ASP 261 CO 0.18 1.33 -0.21 -0.62 -1.57 0.00 0.00 179.24 178.34 1pwh n GLU 262 N -4.06 0.77 -1.91 3.56 -0.58 0.84 -4.93 120.64 114.33 1pwh n GLU 262 Ca -0.08 -1.69 -0.17 0.00 -0.42 0.00 0.00 57.16 54.80 1pwh n GLU 262 Cb 0.70 -0.97 -0.04 0.00 -0.57 0.00 0.00 31.44 30.56 1pwh n GLU 262 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1pwh n LYS 263 N -0.66 -1.63 -5.08 3.49 4.01 -0.59 -4.96 118.16 112.73 1pwh n LYS 263 Ca 0.07 0.91 -0.32 0.00 -0.51 0.00 0.00 58.31 58.46 1pwh n LYS 263 Cb 0.63 -5.37 -0.16 0.00 -0.51 0.00 0.00 35.03 29.62 1pwh n LYS 263 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1pwh s ILE 264 N -2.61 2.40 -0.43 -0.18 -1.09 -1.25 -4.97 121.20 113.06 1pwh s ILE 264 Ca 0.00 -0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 57.36 1pwh s ILE 264 Cb 0.00 -1.94 0.04 0.00 -1.58 0.00 0.00 42.46 38.98 1pwh s ILE 264 CO 0.00 0.55 0.36 -0.22 -1.23 0.00 0.00 174.94 174.40 1pwh s LEU 265 N 0.24 5.24 0.37 2.97 2.96 -1.26 -2.79 118.68 126.41 1pwh s LEU 265 Ca -0.13 -1.01 0.08 0.00 -0.22 0.00 0.00 54.13 52.84 1pwh s LEU 265 Cb -0.17 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 1pwh s LEU 265 CO 0.07 -0.54 0.28 0.68 -1.32 0.00 0.00 176.35 175.52 1pwh s VAL 266 N 1.75 3.05 0.55 1.68 -7.23 -1.26 -4.90 120.40 114.03 1pwh s VAL 266 Ca 0.06 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1pwh s VAL 266 Cb -0.20 -3.07 0.05 0.00 0.56 0.00 0.00 36.38 33.72 1pwh s VAL 266 CO 0.09 -0.11 0.77 -1.83 -0.31 0.00 0.00 175.10 173.72 1pwh s GLU 267 N -4.00 2.45 0.27 4.82 -1.05 -1.08 -4.86 118.70 115.26 1pwh s GLU 267 Ca 0.42 -0.98 -0.02 0.00 -0.15 0.00 0.00 54.97 54.24 1pwh s GLU 267 Cb -0.03 -2.53 0.58 0.00 -0.44 0.00 0.00 34.13 31.71 1pwh s GLU 267 CO 0.26 -0.75 1.65 -1.35 0.95 0.00 0.00 175.26 176.02 1pwh h PRO 268 N 0.10 0.17 -0.58 -4.83 0.11 -1.88 0.17 132.00 125.26 1pwh h PRO 268 Ca -0.40 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.81 1pwh h PRO 268 Cb 1.29 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1pwh h PRO 268 CO 0.48 0.11 0.39 0.00 -0.21 0.00 0.00 178.00 178.78 1pwh h ALA 269 N 1.74 2.12 0.02 -0.75 0.00 -1.91 -0.70 119.26 119.79 1pwh h ALA 269 Ca 0.49 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.11 1pwh h ALA 269 Cb 0.92 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1pwh h ALA 269 CO -0.65 -0.26 -1.49 0.00 0.00 0.00 0.00 179.25 176.85 1pwh h GLY 271 N 3.00 0.00 1.05 0.00 0.00 0.43 -2.44 103.07 105.11 1pwh h GLY 271 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 1pwh h GLY 271 CO 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.37 1pwh h ALA 272 N 1.96 0.55 -0.21 3.60 0.00 -1.31 -0.92 119.26 122.93 1pwh h ALA 272 Ca -0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 1pwh h ALA 272 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pwh h ALA 272 CO 0.00 0.56 -0.65 0.00 0.00 0.00 0.00 179.25 179.17 1pwh h ALA 273 N 0.78 0.45 -0.35 0.00 0.00 -1.60 -3.04 119.26 115.50 1pwh h ALA 273 Ca 0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1pwh h ALA 273 Cb 0.85 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1pwh h ALA 273 CO 0.07 0.69 0.08 -0.07 0.00 0.00 0.00 179.25 180.02 1pwh h LEU 274 N 0.57 0.47 -2.08 0.00 3.38 -1.37 -1.69 115.31 114.59 1pwh h LEU 274 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pwh h LEU 274 Cb 1.25 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1pwh h LEU 274 CO 0.13 0.48 0.13 0.00 0.09 0.00 0.00 178.44 179.27 1pwh h ALA 275 N 1.59 1.11 0.00 1.53 0.00 -1.04 0.14 119.26 122.59 1pwh h ALA 275 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1pwh h ALA 275 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1pwh h ALA 275 CO -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.10 1pwh h ALA 276 N 1.72 1.73 0.00 0.00 0.00 -1.40 0.26 119.26 121.56 1pwh h ALA 276 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 1pwh h ALA 276 Cb 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1pwh h ALA 276 CO 0.00 0.04 -2.23 1.55 0.00 0.00 0.00 179.25 178.61 1pwh n VAL 277 N -4.18 1.21 -0.33 0.00 3.14 -0.03 -1.37 118.33 116.78 1pwh n VAL 277 Ca -0.03 -0.34 -0.02 0.00 -2.96 0.00 0.00 64.34 60.99 1pwh n VAL 277 Cb 0.12 -1.68 0.10 0.00 -1.06 0.00 0.00 33.84 31.32 1pwh n VAL 277 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 1pwh h TYR 278 N -0.63 1.09 -0.02 1.45 0.99 -1.35 -1.22 116.97 117.29 1pwh h TYR 278 Ca -0.54 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.21 1pwh h TYR 278 Cb 1.54 -0.37 0.00 0.00 1.00 0.00 0.00 36.73 38.91 1pwh h TYR 278 CO -0.05 0.66 0.00 0.43 -0.00 0.00 0.00 178.16 179.20 1pwh n SER 279 N -4.50 1.17 -0.78 3.88 7.64 0.89 -4.94 113.62 116.98 1pwh n SER 279 Ca 0.10 -1.40 -0.07 0.00 1.01 0.00 0.00 58.87 58.51 1pwh n SER 279 Cb 0.05 -0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 1pwh n SER 279 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pwh n GLY 280 N 1.13 0.30 0.16 0.23 0.00 -0.46 -4.95 105.19 101.60 1pwh n GLY 280 Ca 0.20 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1pwh n GLY 280 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pwh h VAL 281 N 0.00 1.17 -0.72 1.61 2.07 -1.39 -2.19 116.25 116.80 1pwh h VAL 281 Ca -0.17 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1pwh h VAL 281 Cb 0.96 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1pwh h VAL 281 CO 0.21 0.18 0.42 -0.37 0.02 0.00 0.00 177.57 178.03 1pwh h VAL 282 N 0.39 1.21 -0.24 2.57 -1.51 -1.70 -1.45 116.25 115.52 1pwh h VAL 282 Ca 0.11 -0.49 -0.03 0.00 -1.23 0.00 0.00 66.70 65.07 1pwh h VAL 282 Cb 0.15 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 29.52 1pwh h VAL 282 CO -0.01 0.22 0.04 0.00 -1.23 0.00 0.00 177.57 176.59 1pwh h ARG 284 N 0.35 0.87 -0.24 0.00 2.43 -0.72 -0.07 114.38 117.00 1pwh h ARG 284 Ca 0.08 -0.55 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1pwh h ARG 284 Cb 0.17 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1pwh h ARG 284 CO -0.00 1.19 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.46 1pwh h LEU 285 N 0.65 0.37 -0.06 3.80 3.38 -0.45 0.71 115.31 123.71 1pwh h LEU 285 Ca 0.01 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1pwh h LEU 285 Cb 1.15 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.81 1pwh h LEU 285 CO 0.12 0.52 -0.37 1.56 0.09 0.00 0.00 178.44 180.36 1pwh h GLN 286 N 0.37 0.36 -0.45 1.13 4.20 -0.85 0.55 115.11 120.42 1pwh h GLN 286 Ca 0.07 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1pwh h GLN 286 Cb 0.43 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1pwh h GLN 286 CO 0.02 0.95 0.25 0.00 -0.67 0.00 0.00 178.83 179.38 1pwh h ALA 287 N 0.41 1.59 0.00 3.87 0.00 -0.67 0.14 119.26 124.60 1pwh h ALA 287 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1pwh h ALA 287 Cb 1.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pwh h ALA 287 CO 0.08 0.34 0.00 0.39 0.00 0.00 0.00 179.25 180.06 1pwh n GLU 288 N -4.42 0.14 -1.10 0.00 1.02 0.21 -4.91 120.64 111.58 1pwh n GLU 288 Ca 0.04 0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.16 1pwh n GLU 288 Cb 0.09 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1pwh n GLU 288 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pwh n ALA 289 N -1.42 -0.05 0.31 0.62 0.00 0.47 -4.90 120.51 115.54 1pwh n ALA 289 Ca 0.09 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1pwh n ALA 289 Cb 0.29 -0.74 0.14 0.00 0.00 0.00 0.00 19.45 19.14 1pwh n ALA 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pwh h ARG 290 N 0.27 0.00 -5.65 0.00 3.08 -1.13 -3.44 114.38 107.52 1pwh h ARG 290 Ca -0.07 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.38 1pwh h ARG 290 Cb 0.34 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.08 1pwh h ARG 290 CO 0.11 0.00 -0.85 -0.51 -1.07 0.00 0.00 179.97 177.65 1pwh s LEU 291 N -5.24 1.98 0.82 3.04 1.43 -0.82 -4.99 118.68 114.90 1pwh s LEU 291 Ca 0.05 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1pwh s LEU 291 Cb 0.09 -1.07 0.09 0.00 0.03 0.00 0.00 46.19 45.34 1pwh s LEU 291 CO 0.72 0.20 1.12 0.00 0.23 0.00 0.00 176.35 178.62 1pwh s GLN 292 N -0.17 1.78 -0.06 1.70 -2.07 -1.26 -4.26 119.66 115.31 1pwh s GLN 292 Ca -0.00 1.36 -0.02 0.00 -1.82 0.00 0.00 55.36 54.88 1pwh s GLN 292 Cb -0.11 -1.83 0.04 0.00 -1.09 0.00 0.00 33.01 30.02 1pwh s GLN 292 CO 0.01 -2.03 0.12 0.99 -1.32 0.00 0.00 175.29 173.06 1pwh s THR 293 N -2.73 -0.15 0.65 3.63 2.01 -1.26 -3.60 115.64 114.18 1pwh s THR 293 Ca 0.64 0.30 -0.15 0.00 0.31 0.00 0.00 61.69 62.79 1pwh s THR 293 Cb -0.20 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 1pwh s THR 293 CO 0.56 0.12 1.10 -2.16 -0.69 0.00 0.00 174.62 173.55 1pwh s PRO 294 N 1.78 2.89 -0.08 4.92 0.04 -1.26 -5.16 135.00 138.13 1pwh s PRO 294 Ca -0.02 1.37 -0.05 0.00 0.04 0.00 0.00 61.00 62.34 1pwh s PRO 294 Cb -0.12 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1pwh s PRO 294 CO -0.05 -1.18 0.15 -1.17 0.04 0.00 0.00 177.00 174.79 1pwh s LEU 295 N -4.79 4.34 0.61 -3.56 2.96 -1.24 -5.08 118.68 111.91 1pwh s LEU 295 Ca 0.67 0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 54.82 1pwh s LEU 295 Cb -0.20 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 1pwh s LEU 295 CO 0.40 0.36 1.09 0.00 -1.32 0.00 0.00 176.35 176.88 1pwh s ALA 296 N -1.13 2.63 -0.24 5.97 0.00 -1.26 -4.69 121.76 123.03 1pwh s ALA 296 Ca 0.19 0.55 -0.42 0.00 0.00 0.00 0.00 51.96 52.28 1pwh s ALA 296 Cb -0.12 -3.29 -0.18 0.00 0.00 0.00 0.00 23.12 19.52 1pwh s ALA 296 CO 0.09 -0.97 1.47 -1.13 0.00 0.00 0.00 175.76 175.23 1pwh n SER 297 N -2.00 1.27 -4.90 0.00 3.41 -1.26 -2.66 113.62 107.49 1pwh n SER 297 Ca 0.10 1.14 -0.32 0.00 -0.26 0.00 0.00 58.87 59.54 1pwh n SER 297 Cb 0.52 -1.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.43 1pwh n SER 297 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1pwh s LEU 298 N 2.06 4.28 -0.22 1.04 0.05 0.19 -1.89 118.68 124.19 1pwh s LEU 298 Ca 0.97 0.56 -0.05 0.00 0.05 0.00 0.00 54.13 55.66 1pwh s LEU 298 Cb -1.26 -3.24 -0.02 0.00 -2.05 0.00 0.00 46.19 39.62 1pwh s LEU 298 CO 0.67 0.08 0.01 -0.69 -0.55 0.00 0.00 176.35 175.87 1pwh s VAL 299 N -1.62 3.87 -0.26 1.48 1.01 -0.32 -0.35 120.40 124.22 1pwh s VAL 299 Ca 0.39 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1pwh s VAL 299 Cb -0.12 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1pwh s VAL 299 CO 0.24 0.40 0.18 -0.69 0.00 0.00 0.00 175.10 175.23 1pwh s VAL 300 N 1.36 5.33 -0.49 2.92 1.01 0.38 -0.65 120.40 130.25 1pwh s VAL 300 Ca 0.04 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 1pwh s VAL 300 Cb -0.15 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1pwh s VAL 300 CO 0.01 0.29 1.05 -0.63 0.00 0.00 0.00 175.10 175.82 1pwh s ILE 301 N 1.44 4.29 -1.00 2.22 1.01 -0.32 -1.45 121.20 127.40 1pwh s ILE 301 Ca 0.08 0.92 -0.21 0.00 0.00 0.00 0.00 60.65 61.44 1pwh s ILE 301 Cb -0.15 -4.56 0.09 0.00 0.01 0.00 0.00 42.46 37.85 1pwh s ILE 301 CO 0.08 -1.01 1.32 -0.69 0.00 0.00 0.00 174.94 174.64 1pwh s VAL 302 N 4.24 4.32 0.55 2.92 1.01 -0.94 -4.78 120.40 127.72 1pwh s VAL 302 Ca 0.42 -1.24 0.23 0.00 0.00 0.00 0.00 61.98 61.39 1pwh s VAL 302 Cb -0.09 -4.94 0.33 0.00 0.00 0.00 0.00 36.38 31.68 1pwh s VAL 302 CO 0.28 -1.74 2.14 0.00 0.00 0.00 0.00 175.10 175.78 1pwh n GLY 304 N -1.48 1.74 0.00 0.00 0.00 -1.26 -2.29 105.19 101.90 1pwh n GLY 304 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1pwh n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pwh n GLY 305 N 0.00 2.79 0.00 -0.02 0.00 -0.95 -2.62 105.19 104.39 1pwh n GLY 305 Ca 0.00 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.30 1pwh n GLY 305 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pwh n SER 306 N 0.00 1.15 -2.84 1.61 7.64 -1.26 -4.55 113.62 115.37 1pwh n SER 306 Ca 0.00 -0.31 -0.17 0.00 1.01 0.00 0.00 58.87 59.40 1pwh n SER 306 Cb 0.00 1.46 -0.05 0.00 -1.01 0.00 0.00 64.21 64.61 1pwh n SER 306 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pwh n ASN 307 N -1.80 4.28 -3.46 6.43 3.02 -1.26 -4.77 115.26 117.71 1pwh n ASN 307 Ca -0.01 -2.23 -0.11 0.00 -0.03 0.00 0.00 54.58 52.20 1pwh n ASN 307 Cb 0.35 -1.00 -0.02 0.00 -0.61 0.00 0.00 39.78 38.50 1pwh n ASN 307 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1pwh s ILE 308 N 2.85 0.00 -0.02 2.41 1.10 -1.26 -4.60 121.20 121.68 1pwh s ILE 308 Ca 0.39 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 60.23 1pwh s ILE 308 Cb 0.13 -1.00 0.11 0.00 0.15 0.00 0.00 42.46 41.85 1pwh s ILE 308 CO -0.02 0.00 1.19 -0.94 -2.11 0.00 0.00 174.94 173.06 1pwh s SER 309 N -2.50 -0.11 0.24 4.50 1.04 -1.26 -4.95 113.70 110.65 1pwh s SER 309 Ca 0.01 -0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 1pwh s SER 309 Cb -0.01 0.23 0.31 0.00 0.10 0.00 0.00 66.02 66.65 1pwh s SER 309 CO -0.10 -0.42 1.86 -0.07 0.98 0.00 0.00 173.24 175.49 1pwh h LEU 310 N 2.00 0.84 -0.10 2.42 4.07 -2.02 0.41 115.31 122.92 1pwh h LEU 310 Ca -0.25 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.70 1pwh h LEU 310 Cb 1.20 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 1pwh h LEU 310 CO 0.27 0.55 -0.01 0.00 -1.08 0.00 0.00 178.44 178.17 1pwh h ALA 311 N 1.39 0.14 -0.87 1.53 0.00 -2.00 -2.76 119.26 116.69 1pwh h ALA 311 Ca 0.36 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1pwh h ALA 311 Cb 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1pwh h ALA 311 CO -0.16 -0.16 0.57 1.96 0.00 0.00 0.00 179.25 181.47 1pwh h GLN 312 N -0.11 1.14 -0.69 0.00 4.20 -1.84 -0.72 115.11 117.09 1pwh h GLN 312 Ca 0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1pwh h GLN 312 Cb 0.38 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1pwh h GLN 312 CO 0.01 0.75 0.39 1.25 -0.67 0.00 0.00 178.83 180.56 1pwh h LEU 313 N 1.17 0.85 -0.46 1.46 7.12 -0.84 0.27 115.31 124.88 1pwh h LEU 313 Ca 0.32 -0.08 -0.16 0.00 0.13 0.00 0.00 57.88 58.09 1pwh h LEU 313 Cb -0.13 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 39.78 1pwh h LEU 313 CO -0.07 0.68 -0.44 1.56 -0.13 0.00 0.00 178.44 180.04 1pwh h GLN 314 N 0.94 0.79 -0.86 1.25 1.08 -1.14 -1.02 115.11 116.16 1pwh h GLN 314 Ca 0.24 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1pwh h GLN 314 Cb 0.01 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 1pwh h GLN 314 CO -0.04 1.07 0.54 0.00 -0.95 0.00 0.00 178.83 179.45 1pwh h ALA 315 N 0.86 1.34 -0.34 3.87 0.00 -0.61 -0.04 119.26 124.35 1pwh h ALA 315 Ca 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1pwh h ALA 315 Cb 1.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1pwh h ALA 315 CO 0.10 0.59 -0.02 -0.07 0.00 0.00 0.00 179.25 179.84 1pwh h LEU 316 N 1.17 0.60 -0.74 0.00 4.07 -0.17 -1.56 115.31 118.69 1pwh h LEU 316 Ca 0.31 -0.32 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 1pwh h LEU 316 Cb -0.09 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 1pwh h LEU 316 CO -0.06 0.78 -0.17 0.11 -1.08 0.00 0.00 178.44 178.02 1pwh h LYS 317 N 0.41 0.78 -0.41 1.13 1.57 -0.69 -1.80 116.57 117.56 1pwh h LYS 317 Ca 0.09 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1pwh h LYS 317 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1pwh h LYS 317 CO 0.02 0.90 -0.11 0.00 -0.57 0.00 0.00 179.45 179.69 1pwh h ALA 318 N 1.12 0.57 -0.03 3.86 0.00 -0.96 0.30 119.26 124.12 1pwh h ALA 318 Ca 0.11 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1pwh h ALA 318 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pwh h ALA 318 CO 0.05 0.46 -0.23 0.37 0.00 0.00 0.00 179.25 179.90 1pwh h GLN 319 N 0.63 0.05 -0.73 0.00 4.15 -1.13 -2.54 115.11 115.54 1pwh h GLN 319 Ca 0.10 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1pwh h GLN 319 Cb 0.64 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1pwh h GLN 319 CO 0.04 0.28 0.00 1.28 -1.93 0.00 0.00 178.83 178.50 1pwh n LEU 320 N -4.24 3.95 -1.46 -2.39 4.77 -0.69 -4.95 117.00 111.99 1pwh n LEU 320 Ca -0.02 -1.98 -0.18 0.00 -0.03 0.00 0.00 56.01 53.80 1pwh n LEU 320 Cb 0.30 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1pwh n LEU 320 CO 0.37 0.97 -0.18 0.61 -1.33 0.00 0.00 177.39 177.84 1pwh n GLY 321 N 1.64 1.54 3.71 -0.72 0.00 -0.69 -4.94 105.19 105.73 1pwh n GLY 321 Ca 0.24 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1pwh n GLY 321 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwh s LEU 322 N -4.22 4.35 -0.64 0.99 1.43 0.98 -3.23 118.68 118.34 1pwh s LEU 322 Ca 0.00 2.13 -0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1pwh s LEU 322 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 1pwh s LEU 322 CO 0.00 -0.60 0.54 0.59 0.23 0.00 0.00 176.35 177.11 1pwh n ASN 323 N 4.36 -2.25 -3.34 2.29 3.02 -1.26 -4.64 115.26 113.43 1pwh n ASN 323 Ca 0.11 -0.32 0.02 0.00 -0.03 0.00 0.00 54.58 54.36 1pwh n ASN 323 Cb 0.44 -2.93 -0.02 0.00 -0.61 0.00 0.00 39.78 36.66 1pwh n ASN 323 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pwh s GLU 324 N -4.82 0.52 0.05 3.52 2.02 -1.20 -5.13 118.70 113.67 1pwh s GLU 324 Ca 0.03 1.09 -0.35 0.00 0.02 0.00 0.00 54.97 55.76 1pwh s GLU 324 Cb -0.01 0.63 -0.14 0.00 0.10 0.00 0.00 34.13 34.71 1pwh s GLU 324 CO 0.38 -0.40 1.62 1.28 0.02 0.00 0.00 175.26 178.16 1pwh n LEU 325 N 5.41 2.86 0.00 1.80 4.77 -1.26 -4.92 117.00 125.66 1pwh n LEU 325 Ca -0.06 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 1pwh n LEU 325 Cb 0.51 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1pwh n LEU 325 CO -0.01 -0.38 0.02 -0.11 -1.33 0.00 0.00 177.39 175.58 1pwh n LEU 326 N 4.23 0.00 0.00 2.23 0.00 -1.26 -5.18 117.00 117.02 1pwh n LEU 326 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 56.01 56.24 1pwh n LEU 326 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.68 1pwh n LEU 326 CO 0.67 0.00 0.00 0.29 0.00 0.00 0.00 177.39 178.35