#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pn1 n GLN 2 N 0.00 0.00 -3.78 1.61 1.13 -1.26 -4.27 117.38 110.81 2pn1 n GLN 2 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 2pn1 n GLN 2 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 2pn1 n GLN 2 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2pn1 s LYS 3 N 0.00 1.19 0.54 -1.09 1.02 -1.26 -4.54 119.74 115.60 2pn1 s LYS 3 Ca 0.00 -1.75 -0.18 0.00 0.02 0.00 0.00 55.97 54.06 2pn1 s LYS 3 Cb 0.00 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.84 2pn1 s LYS 3 CO 0.00 -1.07 1.06 -1.25 -0.92 0.00 0.00 175.35 173.17 2pn1 s PRO 4 N 0.76 3.49 -0.33 -1.68 0.04 -1.26 -4.78 135.00 131.25 2pn1 s PRO 4 Ca 0.14 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.56 2pn1 s PRO 4 Cb -0.22 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.37 2pn1 s PRO 4 CO -0.08 -0.69 0.07 -1.58 0.04 0.00 0.00 177.00 174.76 2pn1 s HIS 5 N -2.14 3.16 -0.15 0.56 2.46 -1.26 -0.75 115.29 117.18 2pn1 s HIS 5 Ca 0.67 -2.64 -0.22 0.00 0.47 0.00 0.00 55.06 53.33 2pn1 s HIS 5 Cb -0.18 -2.57 -0.03 0.00 -0.13 0.00 0.00 32.58 29.67 2pn1 s HIS 5 CO 0.28 -0.93 0.68 -1.17 -2.47 0.00 0.00 174.74 171.14 2pn1 s LEU 6 N 1.09 4.20 -0.25 8.88 2.96 -0.05 -0.80 118.68 134.71 2pn1 s LEU 6 Ca 0.11 0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 54.91 2pn1 s LEU 6 Cb -0.19 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.46 2pn1 s LEU 6 CO -0.13 -0.24 0.14 -0.22 -1.32 0.00 0.00 176.35 174.59 2pn1 s LEU 7 N 1.59 3.97 -0.38 -0.68 2.96 0.33 -0.40 118.68 126.07 2pn1 s LEU 7 Ca 0.33 0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 54.15 2pn1 s LEU 7 Cb -0.16 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.48 2pn1 s LEU 7 CO 0.13 0.03 0.24 -0.63 -1.32 0.00 0.00 176.35 174.80 2pn1 s ILE 8 N 1.24 4.82 0.29 6.68 1.01 0.18 -1.67 121.20 133.76 2pn1 s ILE 8 Ca 0.07 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2pn1 s ILE 8 Cb -0.14 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2pn1 s ILE 8 CO 0.06 -0.24 0.48 0.42 0.00 0.00 0.00 174.94 175.66 2pn1 s THR 9 N 1.60 5.15 -1.45 2.92 -4.23 -0.38 -0.37 115.64 118.88 2pn1 s THR 9 Ca 0.03 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.00 2pn1 s THR 9 Cb -0.19 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 69.86 2pn1 s THR 9 CO 0.08 -0.42 0.59 -1.20 -0.54 0.00 0.00 174.62 173.13 2pn1 n SER 10 N -1.41 -1.47 -0.11 3.99 7.64 -0.48 -2.82 113.62 118.96 2pn1 n SER 10 Ca -0.05 -0.95 -0.04 0.00 1.01 0.00 0.00 58.87 58.84 2pn1 n SER 10 Cb 0.56 -3.29 0.17 0.00 -1.01 0.00 0.00 64.21 60.64 2pn1 n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pn1 h ALA 11 N 0.87 1.14 -0.41 -0.43 0.00 -1.64 -3.38 119.26 115.40 2pn1 h ALA 11 Ca -0.61 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2pn1 h ALA 11 Cb 1.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pn1 h ALA 11 CO 0.64 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.87 2pn1 n GLY 12 N -0.70 2.55 1.17 0.00 0.00 -1.26 -1.34 105.19 105.60 2pn1 n GLY 12 Ca 0.03 0.35 0.12 0.00 0.00 0.00 0.00 46.02 46.52 2pn1 n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pn1 n ARG 13 N 9.07 2.52 -1.82 1.61 0.63 -1.26 -0.95 116.66 126.46 2pn1 n ARG 13 Ca 0.00 -2.30 -0.40 0.00 -0.92 0.00 0.00 57.85 54.23 2pn1 n ARG 13 Cb 0.00 -1.52 -0.01 0.00 0.45 0.00 0.00 32.46 31.38 2pn1 n ARG 13 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2pn1 n ARG 14 N 1.51 4.09 -0.05 -0.14 1.74 -0.45 -4.64 116.66 118.73 2pn1 n ARG 14 Ca 0.20 -3.04 -0.12 0.00 -0.77 0.00 0.00 57.85 54.11 2pn1 n ARG 14 Cb 0.61 -2.76 -0.07 0.00 -1.02 0.00 0.00 32.46 29.22 2pn1 n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pn1 h ALA 15 N 4.96 0.18 -0.92 7.54 0.00 -1.85 -2.54 119.26 126.64 2pn1 h ALA 15 Ca 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2pn1 h ALA 15 Cb 0.36 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2pn1 h ALA 15 CO 1.62 -0.04 0.52 -0.22 0.00 0.00 0.00 179.25 181.12 2pn1 h LYS 16 N -0.06 1.27 -0.55 0.00 1.63 -1.97 -1.23 116.57 115.66 2pn1 h LYS 16 Ca 0.03 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 2pn1 h LYS 16 Cb 0.50 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2pn1 h LYS 16 CO 0.02 0.91 0.23 1.25 -3.45 0.00 0.00 179.45 178.41 2pn1 h LEU 17 N 1.28 0.75 -0.83 5.20 5.85 -1.92 -1.12 115.31 124.52 2pn1 h LEU 17 Ca 0.33 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 2pn1 h LEU 17 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2pn1 h LEU 17 CO -0.06 0.70 0.14 0.58 -0.34 0.00 0.00 178.44 179.46 2pn1 h VAL 18 N 0.75 1.25 -0.82 1.05 2.07 -1.09 -1.87 116.25 117.59 2pn1 h VAL 18 Ca 0.19 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.78 2pn1 h VAL 18 Cb 0.18 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2pn1 h VAL 18 CO -0.02 0.36 0.54 -0.33 0.02 0.00 0.00 177.57 178.13 2pn1 h GLU 19 N 0.96 1.03 -0.62 1.57 5.08 -0.85 0.73 114.58 122.47 2pn1 h GLU 19 Ca 0.20 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2pn1 h GLU 19 Cb 0.37 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2pn1 h GLU 19 CO 0.00 0.68 0.33 1.88 -1.00 0.00 0.00 179.01 180.91 2pn1 h TYR 20 N 1.06 0.87 -0.25 4.33 0.05 -0.59 -1.15 116.97 121.29 2pn1 h TYR 20 Ca 0.32 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 2pn1 h TYR 20 Cb -0.05 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 2pn1 h TYR 20 CO -0.02 0.64 0.11 0.74 -1.05 0.00 0.00 178.16 178.58 2pn1 h PHE 21 N 0.85 0.37 -0.56 4.88 0.04 -0.70 -0.95 116.94 120.87 2pn1 h PHE 21 Ca 0.22 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.04 2pn1 h PHE 21 Cb 0.07 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.04 2pn1 h PHE 21 CO -0.01 0.37 0.23 0.28 -0.60 0.00 0.00 178.31 178.59 2pn1 h VAL 22 N 0.26 0.84 -0.48 -0.55 2.07 -0.65 -0.18 116.25 117.56 2pn1 h VAL 22 Ca 0.09 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2pn1 h VAL 22 Cb 0.15 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2pn1 h VAL 22 CO -0.01 0.08 0.20 0.50 0.02 0.00 0.00 177.57 178.37 2pn1 h LYS 23 N 0.44 0.71 0.00 1.57 3.64 -1.05 -3.25 116.57 118.63 2pn1 h LYS 23 Ca 0.27 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2pn1 h LYS 23 Cb 0.28 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2pn1 h LYS 23 CO -0.25 0.63 -0.24 0.93 -2.27 0.00 0.00 179.45 178.25 2pn1 h GLU 24 N 0.64 0.00 -5.55 1.90 4.39 -0.65 -3.39 114.58 111.92 2pn1 h GLU 24 Ca 0.16 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.27 2pn1 h GLU 24 Cb 0.17 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 2pn1 h GLU 24 CO -0.02 0.07 2.01 1.19 -1.16 0.00 0.00 179.01 181.11 2pn1 n PHE 25 N -3.05 3.99 0.29 4.33 3.01 -0.13 -4.79 117.46 121.12 2pn1 n PHE 25 Ca 0.03 -2.47 0.16 0.00 1.01 0.00 0.00 57.45 56.18 2pn1 n PHE 25 Cb 0.57 -2.60 0.90 0.00 -0.01 0.00 0.00 39.48 38.35 2pn1 n PHE 25 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2pn1 h LYS 26 N 7.98 0.00 -5.30 -1.08 1.79 -1.84 -3.42 116.57 114.71 2pn1 h LYS 26 Ca 0.40 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.49 2pn1 h LYS 26 Cb 0.86 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.36 2pn1 h LYS 26 CO 1.46 0.04 -0.73 0.95 -1.08 0.00 0.00 179.45 180.09 2pn1 s THR 27 N -4.26 1.39 0.00 -0.16 -4.23 -1.26 -5.10 115.64 102.02 2pn1 s THR 27 Ca -0.04 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2pn1 s THR 27 Cb 0.13 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 72.12 2pn1 s THR 27 CO 0.53 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 2pn1 n GLY 28 N -0.13 0.01 3.08 3.99 0.00 -1.26 -4.47 105.19 106.41 2pn1 n GLY 28 Ca -0.10 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 2pn1 n GLY 28 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pn1 s ARG 29 N 0.00 0.40 -0.16 1.61 3.52 0.07 -4.96 118.95 119.44 2pn1 s ARG 29 Ca 0.00 -0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.33 2pn1 s ARG 29 Cb 0.00 0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.57 2pn1 s ARG 29 CO 0.00 -0.09 -0.20 0.08 -0.81 0.00 0.00 175.30 174.28 2pn1 s VAL 30 N -1.06 1.98 0.32 7.11 1.01 -1.26 -0.87 120.40 127.62 2pn1 s VAL 30 Ca -0.12 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.05 2pn1 s VAL 30 Cb -0.06 -1.78 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 2pn1 s VAL 30 CO 0.01 0.53 -0.13 -0.44 0.00 0.00 0.00 175.10 175.07 2pn1 s SER 31 N 1.09 3.62 0.16 3.32 0.01 0.47 -4.31 113.70 118.06 2pn1 s SER 31 Ca -0.01 -1.14 0.08 0.00 1.31 0.00 0.00 55.95 56.19 2pn1 s SER 31 Cb -0.14 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 2pn1 s SER 31 CO -0.07 -0.13 -0.16 0.42 0.41 0.00 0.00 173.24 173.70 2pn1 s THR 32 N -2.60 1.69 0.01 1.44 -4.23 -0.86 -0.64 115.64 110.44 2pn1 s THR 32 Ca 0.31 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 58.80 2pn1 s THR 32 Cb -0.00 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 72.03 2pn1 s THR 32 CO 0.16 -0.40 0.17 0.00 -0.54 0.00 0.00 174.62 174.00 2pn1 s ALA 33 N -2.27 -0.38 0.15 3.99 0.00 0.50 -1.18 121.76 122.57 2pn1 s ALA 33 Ca 0.16 -0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 2pn1 s ALA 33 Cb -0.04 0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.27 2pn1 s ALA 33 CO 0.06 -0.24 0.73 0.34 0.00 0.00 0.00 175.76 176.65 2pn1 s ASP 34 N -1.49 -0.42 0.25 0.00 2.15 -0.93 -1.38 116.67 114.86 2pn1 s ASP 34 Ca -0.13 -0.18 0.25 0.00 0.43 0.00 0.00 52.55 52.92 2pn1 s ASP 34 Cb -0.06 0.57 0.66 0.00 -0.30 0.00 0.00 42.92 43.79 2pn1 s ASP 34 CO 0.01 -0.97 1.69 0.00 -0.17 0.00 0.00 175.17 175.73 2pn1 s SER 36 N -4.87 3.66 0.12 0.00 0.15 -1.26 -4.74 113.70 106.76 2pn1 s SER 36 Ca 0.09 -0.37 0.15 0.00 0.70 0.00 0.00 55.95 56.52 2pn1 s SER 36 Cb 0.11 -1.24 0.68 0.00 -1.71 0.00 0.00 66.02 63.86 2pn1 s SER 36 CO 0.63 0.22 1.47 -0.81 1.20 0.00 0.00 173.24 175.95 2pn1 n PRO 37 N 3.12 0.08 -0.16 5.44 -0.04 -1.26 -2.59 135.00 139.59 2pn1 n PRO 37 Ca -0.18 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 63.72 2pn1 n PRO 37 Cb 0.52 -1.67 0.12 0.00 -0.04 0.00 0.00 33.50 32.44 2pn1 n PRO 37 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pn1 n LEU 38 N -1.82 1.60 -4.60 1.53 4.77 -1.26 -4.81 117.00 112.41 2pn1 n LEU 38 Ca 0.02 -0.80 -0.43 0.00 -0.03 0.00 0.00 56.01 54.76 2pn1 n LEU 38 Cb 0.14 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 2pn1 n LEU 38 CO 0.12 0.37 1.00 0.00 -1.33 0.00 0.00 177.39 177.55 2pn1 s ALA 39 N -1.64 3.17 0.32 -1.18 0.00 -1.07 -4.93 121.76 116.43 2pn1 s ALA 39 Ca 0.18 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.70 2pn1 s ALA 39 Cb 0.10 -3.87 0.66 0.00 0.00 0.00 0.00 23.12 20.01 2pn1 s ALA 39 CO 0.12 -2.22 1.86 0.66 0.00 0.00 0.00 175.76 176.18 2pn1 h SER 40 N 9.18 0.81 -0.08 0.00 4.64 -1.81 -2.45 113.55 123.84 2pn1 h SER 40 Ca -0.23 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.15 2pn1 h SER 40 Cb 1.06 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2pn1 h SER 40 CO 1.12 0.44 0.06 0.00 -0.87 0.00 0.00 176.83 177.57 2pn1 h ALA 41 N 1.56 1.92 -0.82 5.18 0.00 -1.31 -2.86 119.26 122.94 2pn1 h ALA 41 Ca 0.46 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.55 2pn1 h ALA 41 Cb 0.55 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 2pn1 h ALA 41 CO -0.23 -0.10 0.30 -0.07 0.00 0.00 0.00 179.25 179.16 2pn1 h LEU 42 N 0.00 0.22 -5.50 0.00 3.38 -1.63 -3.37 115.31 108.41 2pn1 h LEU 42 Ca 0.04 0.14 -0.71 0.00 0.09 0.00 0.00 57.88 57.44 2pn1 h LEU 42 Cb 0.16 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2pn1 h LEU 42 CO -0.00 0.02 3.16 -1.22 0.09 0.00 0.00 178.44 180.49 2pn1 n TYR 43 N -5.07 2.71 0.00 1.13 4.01 -1.08 -4.61 117.16 114.26 2pn1 n TYR 43 Ca 0.18 -2.97 0.00 0.00 -0.16 0.00 0.00 57.90 54.95 2pn1 n TYR 43 Cb 0.53 -2.27 0.00 0.00 -0.31 0.00 0.00 39.34 37.29 2pn1 n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pn1 n ALA 45 N 3.55 -0.17 -0.09 -0.72 0.00 -1.26 -5.10 120.51 116.71 2pn1 n ALA 45 Ca 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 54.00 2pn1 n ALA 45 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 2pn1 n ALA 45 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2pn1 h ASP 46 N 0.00 0.41 -3.40 0.00 3.58 -1.86 -3.41 116.42 111.73 2pn1 h ASP 46 Ca 0.00 -0.19 -0.64 0.00 0.42 0.00 0.00 57.03 56.62 2pn1 h ASP 46 Cb 0.00 -0.11 -0.22 0.00 1.72 0.00 0.00 39.33 40.72 2pn1 h ASP 46 CO 0.00 0.49 -0.65 -1.10 -2.88 0.00 0.00 179.24 175.10 2pn1 s GLN 47 N -5.46 3.67 0.01 0.28 -0.21 -1.26 -5.10 119.66 111.59 2pn1 s GLN 47 Ca -0.13 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 54.77 2pn1 s GLN 47 Cb 0.08 -3.07 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 2pn1 s GLN 47 CO 0.73 0.08 -0.08 -3.38 -2.12 0.00 0.00 175.29 170.52 2pn1 s HIS 48 N 0.83 0.72 0.02 0.91 -3.43 -1.26 -2.02 115.29 111.06 2pn1 s HIS 48 Ca 0.01 -0.22 0.03 0.00 -0.80 0.00 0.00 55.06 54.07 2pn1 s HIS 48 Cb -0.14 -0.45 -0.02 0.00 -1.43 0.00 0.00 32.58 30.54 2pn1 s HIS 48 CO 0.02 -0.02 -0.09 0.71 -2.00 0.00 0.00 174.74 173.36 2pn1 s TYR 49 N -0.49 0.83 -0.14 0.38 2.02 -0.32 -4.97 117.35 114.65 2pn1 s TYR 49 Ca 0.00 -0.31 -0.17 0.00 -0.37 0.00 0.00 57.07 56.23 2pn1 s TYR 49 Cb -0.05 -0.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 2pn1 s TYR 49 CO 0.00 -0.02 0.42 0.42 -1.57 0.00 0.00 175.55 174.80 2pn1 s ILE 50 N -0.75 5.22 0.35 2.71 1.09 -1.26 -2.19 121.20 126.38 2pn1 s ILE 50 Ca -0.01 0.81 0.06 0.00 -1.10 0.00 0.00 60.65 60.41 2pn1 s ILE 50 Cb -0.06 -3.76 -0.07 0.00 -1.06 0.00 0.00 42.46 37.51 2pn1 s ILE 50 CO 0.00 0.34 0.01 0.68 -0.10 0.00 0.00 174.94 175.87 2pn1 s VAL 51 N 0.64 1.68 1.04 2.92 -7.23 -0.40 -4.69 120.40 114.36 2pn1 s VAL 51 Ca 0.23 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 2pn1 s VAL 51 Cb -0.14 -2.81 0.21 0.00 0.56 0.00 0.00 36.38 34.20 2pn1 s VAL 51 CO 0.08 -0.07 1.07 -2.84 -0.31 0.00 0.00 175.10 173.03 2pn1 s PRO 52 N -3.77 0.07 0.56 4.82 0.02 -1.26 -3.94 135.00 131.50 2pn1 s PRO 52 Ca 0.34 0.90 -0.19 0.00 0.02 0.00 0.00 61.00 62.07 2pn1 s PRO 52 Cb 0.08 -1.66 -0.05 0.00 0.02 0.00 0.00 34.50 32.89 2pn1 s PRO 52 CO 0.16 -3.08 1.18 0.15 -0.33 0.00 0.00 177.00 175.08 2pn1 s LYS 53 N -4.67 3.17 0.53 5.54 1.02 -1.26 -4.52 119.74 119.54 2pn1 s LYS 53 Ca 0.67 1.75 0.20 0.00 0.02 0.00 0.00 55.97 58.61 2pn1 s LYS 53 Cb -0.22 -1.99 1.40 0.00 -0.52 0.00 0.00 37.83 36.50 2pn1 s LYS 53 CO 0.61 -1.03 2.15 -0.84 -0.92 0.00 0.00 175.35 175.32 2pn1 h ILE 54 N 1.08 0.86 -0.00 2.17 3.07 -1.99 -2.04 117.51 120.66 2pn1 h ILE 54 Ca -0.50 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 65.78 2pn1 h ILE 54 Cb 1.28 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 2pn1 h ILE 54 CO 0.56 0.03 -0.14 -0.90 -1.05 0.00 0.00 178.15 176.65 2pn1 n ASP 55 N -4.26 0.20 -4.77 2.16 5.68 -1.26 -4.85 116.55 109.46 2pn1 n ASP 55 Ca -0.03 0.10 -0.39 0.00 -0.50 0.00 0.00 54.79 53.97 2pn1 n ASP 55 Cb 0.12 -0.23 -0.03 0.00 -1.14 0.00 0.00 41.12 39.84 2pn1 n ASP 55 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2pn1 s GLU 56 N -2.89 4.34 0.19 0.11 2.02 -0.77 -4.95 118.70 116.75 2pn1 s GLU 56 Ca 0.17 1.88 -0.12 0.00 0.02 0.00 0.00 54.97 56.92 2pn1 s GLU 56 Cb 0.19 -2.93 0.18 0.00 0.10 0.00 0.00 34.13 31.66 2pn1 s GLU 56 CO 0.56 -0.09 1.78 0.28 0.02 0.00 0.00 175.26 177.81 2pn1 h VAL 57 N 2.74 0.92 0.00 2.63 2.07 -1.89 -2.58 116.25 120.15 2pn1 h VAL 57 Ca -0.48 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2pn1 h VAL 57 Cb 1.22 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2pn1 h VAL 57 CO 0.65 0.09 0.00 -1.84 0.02 0.00 0.00 177.57 176.49 2pn1 n GLU 58 N -4.90 0.88 0.19 1.57 0.00 -1.26 -4.42 120.64 112.71 2pn1 n GLU 58 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.07 2pn1 n GLU 58 Cb 0.17 -1.04 -0.07 0.00 0.00 0.00 0.00 31.44 30.50 2pn1 n GLU 58 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 2pn1 h TYR 59 N 0.00 -0.61 -0.48 -1.84 3.20 -1.73 -1.22 116.97 114.29 2pn1 h TYR 59 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2pn1 h TYR 59 Cb 0.00 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2pn1 h TYR 59 CO 0.00 -0.35 0.18 0.82 -1.64 0.00 0.00 178.16 177.17 2pn1 h ILE 60 N -0.54 1.21 -0.63 1.81 1.08 -1.84 -0.81 117.51 117.79 2pn1 h ILE 60 Ca -0.02 -0.68 0.11 0.00 -0.39 0.00 0.00 64.86 63.88 2pn1 h ILE 60 Cb 0.47 0.76 -0.08 0.00 -3.07 0.00 0.00 36.82 34.90 2pn1 h ILE 60 CO -0.01 0.25 0.19 0.44 -0.69 0.00 0.00 178.15 178.34 2pn1 h ASP 61 N 0.63 0.13 -0.45 1.72 3.32 -1.82 -0.71 116.42 119.24 2pn1 h ASP 61 Ca 0.16 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 2pn1 h ASP 61 Cb 0.22 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2pn1 h ASP 61 CO -0.01 0.07 0.10 0.45 -1.72 0.00 0.00 179.24 178.13 2pn1 h HIS 62 N 0.34 0.77 -0.74 4.55 3.86 -0.84 -2.31 115.15 120.79 2pn1 h HIS 62 Ca 0.33 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 2pn1 h HIS 62 Cb 0.47 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2pn1 h HIS 62 CO -0.20 0.71 0.29 -0.07 0.86 0.00 0.00 177.93 179.52 2pn1 h LEU 63 N 0.60 1.01 -0.42 2.43 3.38 -0.53 -0.42 115.31 121.36 2pn1 h LEU 63 Ca 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2pn1 h LEU 63 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2pn1 h LEU 63 CO 0.00 0.90 0.15 -0.07 0.09 0.00 0.00 178.44 179.51 2pn1 h LEU 64 N 1.07 0.59 -0.52 1.67 3.38 -1.07 -0.62 115.31 119.80 2pn1 h LEU 64 Ca 0.25 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2pn1 h LEU 64 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2pn1 h LEU 64 CO -0.02 0.62 0.05 0.74 0.09 0.00 0.00 178.44 179.92 2pn1 h THR 65 N 0.53 1.26 -0.53 0.22 2.02 -1.21 -2.27 112.91 112.93 2pn1 h THR 65 Ca 0.14 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.32 2pn1 h THR 65 Cb 0.22 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2pn1 h THR 65 CO -0.01 0.36 0.35 0.25 0.37 0.00 0.00 175.52 176.84 2pn1 h LEU 66 N 0.77 0.60 -0.27 2.58 5.85 -0.98 -1.23 115.31 122.63 2pn1 h LEU 66 Ca 0.16 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2pn1 h LEU 66 Cb 0.45 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2pn1 h LEU 66 CO 0.02 0.44 0.15 0.00 -0.34 0.00 0.00 178.44 178.70 2pn1 h GLN 68 N 0.31 0.40 -0.53 0.00 4.20 -1.35 -0.39 115.11 117.75 2pn1 h GLN 68 Ca 0.11 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2pn1 h GLN 68 Cb 0.02 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2pn1 h GLN 68 CO -0.07 0.49 0.08 -0.44 -0.67 0.00 0.00 178.83 178.23 2pn1 h ASP 69 N 0.24 0.79 -0.63 1.46 3.32 -1.08 -3.23 116.42 117.29 2pn1 h ASP 69 Ca 0.08 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2pn1 h ASP 69 Cb 0.26 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2pn1 h ASP 69 CO -0.00 0.80 0.00 -0.62 -1.72 0.00 0.00 179.24 177.70 2pn1 n GLU 70 N -4.25 2.70 -3.04 3.56 -0.58 -0.06 -4.98 120.64 113.99 2pn1 n GLU 70 Ca 0.03 -2.51 -0.21 0.00 -0.42 0.00 0.00 57.16 54.05 2pn1 n GLU 70 Cb 0.26 -1.52 0.04 0.00 -0.57 0.00 0.00 31.44 29.65 2pn1 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pn1 n GLY 71 N 1.46 -0.44 3.74 0.62 0.00 -0.58 -4.96 105.19 105.03 2pn1 n GLY 71 Ca 0.22 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 2pn1 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pn1 s VAL 72 N -3.16 3.32 -0.10 1.61 1.01 -0.26 -4.63 120.40 118.19 2pn1 s VAL 72 Ca 0.32 1.09 0.15 0.00 0.00 0.00 0.00 61.98 63.54 2pn1 s VAL 72 Cb -0.14 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.32 2pn1 s VAL 72 CO 0.39 0.16 0.18 0.35 0.00 0.00 0.00 175.10 176.19 2pn1 n THR 73 N 2.67 0.64 -3.80 3.92 -2.24 0.02 -4.76 114.28 110.73 2pn1 n THR 73 Ca 0.06 -0.55 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 2pn1 n THR 73 Cb 0.43 -0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.28 2pn1 n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pn1 s ALA 74 N -2.71 -0.54 -0.00 6.98 0.00 -0.70 -1.80 121.76 122.99 2pn1 s ALA 74 Ca -0.07 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.85 2pn1 s ALA 74 Cb 0.07 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 2pn1 s ALA 74 CO 0.67 -0.35 -0.08 -1.17 0.00 0.00 0.00 175.76 174.83 2pn1 s LEU 75 N -1.88 2.03 -0.06 0.00 0.20 -0.29 -0.51 118.68 118.18 2pn1 s LEU 75 Ca -0.07 -0.17 -0.04 0.00 0.69 0.00 0.00 54.13 54.53 2pn1 s LEU 75 Cb -0.02 -0.39 0.02 0.00 -0.43 0.00 0.00 46.19 45.36 2pn1 s LEU 75 CO -0.02 0.08 0.14 -0.22 -0.29 0.00 0.00 176.35 176.05 2pn1 s LEU 76 N -0.28 1.20 0.20 -0.68 2.96 -0.67 0.11 118.68 121.52 2pn1 s LEU 76 Ca 0.02 0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.28 2pn1 s LEU 76 Cb -0.03 0.44 -0.04 0.00 0.50 0.00 0.00 46.19 47.06 2pn1 s LEU 76 CO -0.00 -0.08 0.15 0.28 -1.32 0.00 0.00 176.35 175.38 2pn1 s THR 77 N 0.47 4.44 -1.84 3.68 -1.32 -1.26 -1.25 115.64 118.55 2pn1 s THR 77 Ca -0.03 -1.22 0.15 0.00 -1.21 0.00 0.00 61.69 59.38 2pn1 s THR 77 Cb -0.05 -3.32 0.11 0.00 -1.51 0.00 0.00 72.50 67.73 2pn1 s THR 77 CO -0.02 -0.20 0.96 0.18 -2.21 0.00 0.00 174.62 173.33 2pn1 n LEU 78 N -0.66 2.18 -4.31 9.08 4.77 -1.13 -4.78 117.00 122.16 2pn1 n LEU 78 Ca -0.08 -0.97 -0.28 0.00 -0.03 0.00 0.00 56.01 54.65 2pn1 n LEU 78 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 2pn1 n LEU 78 CO 0.43 0.40 -0.55 0.27 -1.33 0.00 0.00 177.39 176.61 2pn1 s ILE 79 N -1.34 1.95 0.16 -0.08 -4.36 -1.26 -4.80 121.20 111.46 2pn1 s ILE 79 Ca 0.17 -1.38 -0.16 0.00 -0.26 0.00 0.00 60.65 59.02 2pn1 s ILE 79 Cb 0.13 -1.69 0.03 0.00 1.25 0.00 0.00 42.46 42.18 2pn1 s ILE 79 CO 0.21 0.24 1.73 0.44 0.24 0.00 0.00 174.94 177.80 2pn1 h ASP 80 N 4.65 -0.01 0.32 4.36 3.32 -1.97 -3.03 116.42 124.07 2pn1 h ASP 80 Ca -0.46 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 2pn1 h ASP 80 Cb 1.15 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2pn1 h ASP 80 CO 0.43 0.03 -0.02 -0.65 -1.72 0.00 0.00 179.24 177.31 2pn1 h PRO 81 N 0.18 0.00 0.00 3.56 0.11 -2.01 -2.45 132.00 131.38 2pn1 h PRO 81 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2pn1 h PRO 81 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2pn1 h PRO 81 CO -0.22 0.02 -0.56 1.49 -0.21 0.00 0.00 178.00 178.52 2pn1 h GLU 82 N 0.00 0.00 0.45 1.05 4.81 -1.95 -3.39 114.58 115.55 2pn1 h GLU 82 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2pn1 h GLU 82 Cb 0.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2pn1 h GLU 82 CO 0.00 0.00 -0.45 -0.07 -0.73 0.00 0.00 179.01 177.76 2pn1 h LEU 83 N 0.00 -1.24 -1.25 1.64 3.38 -1.44 -1.24 115.31 115.17 2pn1 h LEU 83 Ca 0.00 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2pn1 h LEU 83 Cb 0.99 0.41 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 2pn1 h LEU 83 CO 0.00 -0.61 0.53 1.23 0.09 0.00 0.00 178.44 179.69 2pn1 h GLY 84 N -0.91 1.15 0.96 0.83 0.00 -1.78 -0.59 103.07 102.72 2pn1 h GLY 84 Ca -0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2pn1 h GLY 84 CO -0.07 0.29 0.11 -2.00 0.00 0.00 0.00 176.54 174.88 2pn1 h LEU 85 N 0.94 0.23 -0.50 3.11 5.85 -1.65 -0.29 115.31 123.00 2pn1 h LEU 85 Ca 0.34 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 2pn1 h LEU 85 Cb 0.15 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2pn1 h LEU 85 CO -0.11 0.23 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.80 2pn1 h LEU 86 N 0.21 0.90 -0.46 2.25 3.38 -1.08 -2.79 115.31 117.72 2pn1 h LEU 86 Ca 0.07 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.66 2pn1 h LEU 86 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2pn1 h LEU 86 CO -0.01 1.15 0.30 0.00 0.09 0.00 0.00 178.44 179.97 2pn1 h ALA 87 N 0.89 0.58 -0.25 1.53 0.00 -0.94 -1.65 119.26 119.43 2pn1 h ALA 87 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2pn1 h ALA 87 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pn1 h ALA 87 CO 0.08 0.02 -0.01 0.37 0.00 0.00 0.00 179.25 179.71 2pn1 h GLN 88 N 0.61 0.37 -0.22 0.00 4.15 -1.05 -2.90 115.11 116.06 2pn1 h GLN 88 Ca 0.17 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.53 2pn1 h GLN 88 Cb -0.05 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.58 2pn1 h GLN 88 CO -0.05 0.41 0.00 0.00 -1.93 0.00 0.00 178.83 177.26 2pn1 n ALA 89 N -2.49 2.49 -0.24 3.38 0.00 -1.02 -4.62 120.51 118.02 2pn1 n ALA 89 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 53.44 52.84 2pn1 n ALA 89 Cb 0.21 -1.03 0.15 0.00 0.00 0.00 0.00 19.45 18.79 2pn1 n ALA 89 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2pn1 h THR 90 N 2.84 0.46 -0.19 0.00 2.02 -1.09 -0.44 112.91 116.50 2pn1 h THR 90 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2pn1 h THR 90 Cb 0.62 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2pn1 h THR 90 CO 0.00 0.03 0.10 -0.33 0.37 0.00 0.00 175.52 175.69 2pn1 h GLU 91 N 0.18 0.25 -0.21 6.66 4.39 -1.85 0.14 114.58 124.15 2pn1 h GLU 91 Ca 0.39 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.89 2pn1 h GLU 91 Cb 0.67 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2pn1 h GLU 91 CO -0.56 0.19 -0.60 0.00 -1.16 0.00 0.00 179.01 176.88 2pn1 h ARG 92 N 0.26 0.70 -0.42 2.33 3.08 -1.43 -0.66 114.38 118.23 2pn1 h ARG 92 Ca 0.07 -0.47 -0.13 0.00 0.07 0.00 0.00 59.98 59.51 2pn1 h ARG 92 Cb 0.02 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2pn1 h ARG 92 CO -0.01 1.10 -0.25 0.74 -1.07 0.00 0.00 179.97 180.47 2pn1 h PHE 93 N 0.52 1.06 -0.28 3.04 0.04 -1.07 -2.98 116.94 117.28 2pn1 h PHE 93 Ca -0.00 -0.28 -0.03 0.00 2.80 0.00 0.00 57.97 60.46 2pn1 h PHE 93 Cb 1.19 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 2pn1 h PHE 93 CO 0.06 1.08 0.04 1.96 -0.60 0.00 0.00 178.31 180.86 2pn1 h GLN 94 N 0.74 0.40 0.00 1.51 4.20 -0.59 0.20 115.11 121.57 2pn1 h GLN 94 Ca 0.09 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2pn1 h GLN 94 Cb 0.83 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 2pn1 h GLN 94 CO 0.07 0.40 -0.00 0.00 -0.67 0.00 0.00 178.83 178.63 2pn1 h ALA 95 N 1.66 1.01 -0.51 3.87 0.00 -0.96 -2.08 119.26 122.24 2pn1 h ALA 95 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pn1 h ALA 95 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2pn1 h ALA 95 CO -0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 2pn1 n ILE 96 N -3.10 1.05 -1.01 0.00 -5.35 -0.71 -4.98 119.36 105.25 2pn1 n ILE 96 Ca -0.01 -1.02 -0.00 0.00 -0.27 0.00 0.00 62.75 61.45 2pn1 n ILE 96 Cb 0.21 0.48 -0.00 0.00 -1.74 0.00 0.00 39.64 38.59 2pn1 n ILE 96 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pn1 n GLY 97 N 0.96 0.47 3.73 3.28 0.00 -0.78 -4.97 105.19 107.88 2pn1 n GLY 97 Ca 0.17 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2pn1 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pn1 s VAL 98 N -1.97 5.37 -0.31 1.61 1.01 0.62 -4.90 120.40 121.83 2pn1 s VAL 98 Ca 0.00 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 2pn1 s VAL 98 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2pn1 s VAL 98 CO 0.00 0.41 0.67 -0.89 0.00 0.00 0.00 175.10 175.29 2pn1 s THR 99 N 0.44 4.90 -0.25 3.92 2.01 -0.75 -3.14 115.64 122.78 2pn1 s THR 99 Ca 0.11 0.93 -0.21 0.00 0.31 0.00 0.00 61.69 62.83 2pn1 s THR 99 Cb -0.12 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 2pn1 s THR 99 CO 0.00 -0.18 0.65 -0.69 -0.69 0.00 0.00 174.62 173.72 2pn1 s VAL 100 N 2.70 4.97 -1.02 3.82 1.01 -1.26 -1.14 120.40 129.48 2pn1 s VAL 100 Ca 0.27 1.18 -0.17 0.00 0.00 0.00 0.00 61.98 63.26 2pn1 s VAL 100 Cb -0.15 -3.95 0.15 0.00 0.00 0.00 0.00 36.38 32.43 2pn1 s VAL 100 CO 0.12 0.02 1.22 -0.63 0.00 0.00 0.00 175.10 175.84 2pn1 s ILE 101 N 2.50 4.87 -0.02 2.22 1.01 0.12 -4.92 121.20 126.97 2pn1 s ILE 101 Ca 0.27 -1.98 -0.19 0.00 0.00 0.00 0.00 60.65 58.75 2pn1 s ILE 101 Cb -0.15 -4.81 0.04 0.00 0.01 0.00 0.00 42.46 37.54 2pn1 s ILE 101 CO 0.08 -1.53 0.41 0.54 0.00 0.00 0.00 174.94 174.44 2pn1 s VAL 102 N 2.20 0.04 0.76 2.92 0.11 -1.26 -4.62 120.40 120.55 2pn1 s VAL 102 Ca 0.36 -0.35 -0.11 0.00 -2.93 0.00 0.00 61.98 58.95 2pn1 s VAL 102 Cb -0.04 -0.71 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 2pn1 s VAL 102 CO -0.06 -0.19 1.09 -0.44 -3.33 0.00 0.00 175.10 172.17 2pn1 s SER 103 N -1.28 4.62 0.50 3.54 0.01 -1.26 -4.86 113.70 114.98 2pn1 s SER 103 Ca -0.13 1.81 -0.21 0.00 1.31 0.00 0.00 55.95 58.73 2pn1 s SER 103 Cb -0.04 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 2pn1 s SER 103 CO 0.06 -1.96 0.88 -2.65 0.41 0.00 0.00 173.24 169.98 2pn1 n PRO 104 N -3.43 1.02 -0.16 12.44 -0.02 -1.26 -4.69 135.00 138.90 2pn1 n PRO 104 Ca 0.09 0.38 -0.04 0.00 -2.02 0.00 0.00 63.50 61.91 2pn1 n PRO 104 Cb 0.53 -1.99 0.03 0.00 -0.02 0.00 0.00 33.50 32.05 2pn1 n PRO 104 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2pn1 h TYR 105 N 0.94 -0.47 -0.87 6.00 3.20 -1.93 -1.24 116.97 122.61 2pn1 h TYR 105 Ca -0.46 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.53 2pn1 h TYR 105 Cb 1.36 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.85 2pn1 h TYR 105 CO 0.39 -0.28 0.54 0.00 -1.64 0.00 0.00 178.16 177.17 2pn1 h ALA 106 N 1.30 1.20 -0.32 1.82 0.00 -1.98 0.17 119.26 121.45 2pn1 h ALA 106 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2pn1 h ALA 106 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2pn1 h ALA 106 CO -0.55 0.29 0.10 0.00 0.00 0.00 0.00 179.25 179.09 2pn1 h ALA 107 N 1.41 0.42 -0.42 0.00 0.00 -1.74 -0.02 119.26 118.91 2pn1 h ALA 107 Ca 0.38 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2pn1 h ALA 107 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2pn1 h ALA 107 CO -0.17 0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.37 2pn1 h GLU 109 N 0.48 0.75 -0.70 0.00 4.39 -0.86 -0.04 114.58 118.60 2pn1 h GLU 109 Ca 0.17 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2pn1 h GLU 109 Cb 0.02 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2pn1 h GLU 109 CO -0.08 0.92 0.28 1.25 -1.16 0.00 0.00 179.01 180.22 2pn1 h LEU 110 N 0.65 0.96 -0.55 1.33 6.46 -0.77 -2.76 115.31 120.63 2pn1 h LEU 110 Ca 0.09 -0.17 -0.16 0.00 -0.12 0.00 0.00 57.88 57.52 2pn1 h LEU 110 Cb 0.75 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2pn1 h LEU 110 CO 0.06 0.87 -0.61 0.00 -0.62 0.00 0.00 178.44 178.14 2pn1 h PHE 112 N 0.29 0.55 -3.61 0.00 3.57 -0.83 -3.42 116.94 113.50 2pn1 h PHE 112 Ca -0.01 -0.18 -0.64 0.00 3.53 0.00 0.00 57.97 60.68 2pn1 h PHE 112 Cb 1.14 -0.11 -0.14 0.00 2.79 0.00 0.00 35.95 39.63 2pn1 h PHE 112 CO 0.04 0.85 -0.04 0.34 -2.23 0.00 0.00 178.31 177.27 2pn1 s ASP 113 N -6.89 6.34 0.46 0.41 -1.08 -1.05 0.08 116.67 114.94 2pn1 s ASP 113 Ca -0.06 0.11 0.12 0.00 -0.52 0.00 0.00 52.55 52.19 2pn1 s ASP 113 Cb 0.12 -2.27 1.05 0.00 -1.46 0.00 0.00 42.92 40.36 2pn1 s ASP 113 CO 0.82 -0.43 2.09 0.11 0.52 0.00 0.00 175.17 178.27 2pn1 h LYS 114 N 8.36 0.30 -0.09 4.34 1.57 -1.11 -2.77 116.57 127.17 2pn1 h LYS 114 Ca -0.28 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.37 2pn1 h LYS 114 Cb 1.13 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2pn1 h LYS 114 CO 0.76 0.20 -0.38 -0.92 -0.57 0.00 0.00 179.45 178.54 2pn1 h TYR 115 N 0.31 0.55 0.00 -1.35 3.20 -1.92 -2.00 116.97 115.75 2pn1 h TYR 115 Ca 0.10 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2pn1 h TYR 115 Cb 0.04 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2pn1 h TYR 115 CO -0.00 0.98 0.00 0.25 -1.64 0.00 0.00 178.16 177.75 2pn1 n THR 116 N -4.36 0.15 0.00 1.81 -2.24 -1.05 -1.46 114.28 107.14 2pn1 n THR 116 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2pn1 n THR 116 Cb 0.53 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2pn1 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pn1 n TYR 118 N 0.90 0.00 -0.25 4.78 9.36 -0.75 -0.90 117.16 130.29 2pn1 n TYR 118 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 2pn1 n TYR 118 Cb 0.08 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 38.84 2pn1 n TYR 118 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2pn1 h GLU 119 N 0.00 0.95 -0.34 2.98 4.39 -1.54 -1.29 114.58 119.73 2pn1 h GLU 119 Ca 0.00 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.67 2pn1 h GLU 119 Cb 0.00 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.40 2pn1 h GLU 119 CO 0.00 0.67 0.07 -0.92 -1.16 0.00 0.00 179.01 177.66 2pn1 h TYR 120 N 0.95 0.11 -0.35 4.33 3.20 -1.29 -1.86 116.97 122.06 2pn1 h TYR 120 Ca 0.25 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.16 2pn1 h TYR 120 Cb -0.04 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2pn1 h TYR 120 CO -0.01 0.02 0.20 0.00 -1.64 0.00 0.00 178.16 176.72 2pn1 h LEU 122 N 0.40 0.74 -0.64 0.00 3.38 -1.03 0.17 115.31 118.34 2pn1 h LEU 122 Ca 0.14 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2pn1 h LEU 122 Cb 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2pn1 h LEU 122 CO -0.07 0.48 -0.15 0.03 0.09 0.00 0.00 178.44 178.82 2pn1 h ARG 123 N 0.88 0.92 -0.00 1.13 3.08 -0.77 -3.24 114.38 116.37 2pn1 h ARG 123 Ca 0.35 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pn1 h ARG 123 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2pn1 h ARG 123 CO -0.17 1.00 -0.31 1.04 -1.07 0.00 0.00 179.97 180.46 2pn1 n GLN 124 N -4.14 0.10 -1.64 0.04 1.13 -0.17 -4.95 117.38 107.75 2pn1 n GLN 124 Ca 0.01 -0.05 -0.03 0.00 -1.94 0.00 0.00 57.00 55.00 2pn1 n GLN 124 Cb 0.41 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.25 2pn1 n GLN 124 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pn1 n GLY 125 N 1.47 0.40 3.70 1.08 0.00 -0.08 -5.05 105.19 106.72 2pn1 n GLY 125 Ca 0.07 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 2pn1 n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pn1 s ILE 126 N -2.13 5.26 0.40 -0.61 1.01 -0.43 -5.03 121.20 119.66 2pn1 s ILE 126 Ca 0.00 0.64 -0.27 0.00 0.00 0.00 0.00 60.65 61.02 2pn1 s ILE 126 Cb 0.00 -3.68 -0.10 0.00 0.01 0.00 0.00 42.46 38.69 2pn1 s ILE 126 CO 0.00 0.33 1.44 0.00 0.00 0.00 0.00 174.94 176.71 2pn1 s ALA 127 N 0.80 3.44 -0.16 9.38 0.00 -1.26 -4.41 121.76 129.56 2pn1 s ALA 127 Ca 0.18 1.49 -0.28 0.00 0.00 0.00 0.00 51.96 53.35 2pn1 s ALA 127 Cb -0.14 -3.58 0.08 0.00 0.00 0.00 0.00 23.12 19.47 2pn1 s ALA 127 CO 0.06 -1.05 0.74 -1.58 0.00 0.00 0.00 175.76 173.93 2pn1 s HIS 128 N -1.16 -0.68 0.23 0.00 5.04 -1.26 -0.72 115.29 116.74 2pn1 s HIS 128 Ca 0.55 1.42 -0.32 0.00 -1.54 0.00 0.00 55.06 55.18 2pn1 s HIS 128 Cb -0.44 0.35 -0.12 0.00 0.04 0.00 0.00 32.58 32.41 2pn1 s HIS 128 CO 0.59 -0.48 1.65 0.00 -2.34 0.00 0.00 174.74 174.16 2pn1 n ALA 129 N 1.69 2.45 -1.65 1.58 0.00 -1.26 -4.90 120.51 118.42 2pn1 n ALA 129 Ca -0.16 0.40 -0.49 0.00 0.00 0.00 0.00 53.44 53.19 2pn1 n ALA 129 Cb 0.56 -2.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 2pn1 n ALA 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pn1 n ARG 130 N 3.24 1.77 -4.59 0.00 1.74 -1.26 -4.75 116.66 112.80 2pn1 n ARG 130 Ca 0.14 0.64 -0.22 0.00 -0.77 0.00 0.00 57.85 57.64 2pn1 n ARG 130 Cb 0.34 -2.37 -0.15 0.00 -1.02 0.00 0.00 32.46 29.26 2pn1 n ARG 130 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2pn1 s THR 131 N 1.46 1.03 -0.08 0.55 2.01 -1.26 -1.05 115.64 118.31 2pn1 s THR 131 Ca 0.84 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.30 2pn1 s THR 131 Cb -0.80 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 70.86 2pn1 s THR 131 CO 0.45 0.29 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.22 2pn1 s TYR 132 N -0.31 1.70 -0.72 4.92 2.02 0.07 -5.01 117.35 120.02 2pn1 s TYR 132 Ca 0.05 -0.68 0.23 0.00 -0.37 0.00 0.00 57.07 56.29 2pn1 s TYR 132 Cb -0.05 -1.23 0.06 0.00 -0.40 0.00 0.00 41.96 40.34 2pn1 s TYR 132 CO -0.00 -0.34 1.05 0.00 -1.57 0.00 0.00 175.55 174.68 2pn1 n ALA 133 N 3.89 3.64 -3.00 3.71 0.00 -1.26 -2.17 120.51 125.32 2pn1 n ALA 133 Ca -0.21 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2pn1 n ALA 133 Cb 0.52 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2pn1 n ALA 133 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2pn1 n THR 134 N -1.82 0.00 0.00 0.00 5.66 -1.26 -4.92 114.28 111.94 2pn1 n THR 134 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2pn1 n THR 134 Cb 0.41 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 2pn1 n THR 134 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pn1 n ALA 136 N -3.00 0.00 -0.04 1.79 0.00 -1.26 -3.20 120.51 114.80 2pn1 n ALA 136 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pn1 n ALA 136 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 2pn1 n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pn1 h SER 137 N 0.00 0.56 -0.39 0.00 4.64 -1.99 0.10 113.55 116.48 2pn1 h SER 137 Ca 0.00 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 2pn1 h SER 137 Cb 0.00 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2pn1 h SER 137 CO 0.00 0.57 -0.03 0.15 -0.87 0.00 0.00 176.83 176.66 2pn1 h PHE 138 N 0.60 0.77 -0.44 4.77 3.57 -1.93 -1.15 116.94 123.13 2pn1 h PHE 138 Ca 0.14 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2pn1 h PHE 138 Cb 0.24 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2pn1 h PHE 138 CO 0.01 0.80 0.12 0.93 -2.23 0.00 0.00 178.31 177.94 2pn1 h GLU 139 N 0.52 0.70 -0.15 1.11 4.39 -1.77 -1.16 114.58 118.21 2pn1 h GLU 139 Ca 0.11 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.68 2pn1 h GLU 139 Cb 0.51 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 2pn1 h GLU 139 CO 0.03 0.69 -0.08 0.93 -1.16 0.00 0.00 179.01 179.42 2pn1 h GLU 140 N 0.58 -0.07 -0.88 2.33 4.39 -0.97 0.77 114.58 120.73 2pn1 h GLU 140 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2pn1 h GLU 140 Cb 0.30 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 2pn1 h GLU 140 CO -0.00 -0.04 0.53 0.00 -1.16 0.00 0.00 179.01 178.33 2pn1 h ALA 141 N 1.07 1.27 -0.36 3.43 0.00 -1.10 0.67 119.26 124.24 2pn1 h ALA 141 Ca 0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2pn1 h ALA 141 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pn1 h ALA 141 CO -0.20 0.62 0.05 -0.07 0.00 0.00 0.00 179.25 179.65 2pn1 h LEU 142 N 1.21 0.58 -0.96 0.00 3.38 -0.96 0.24 115.31 118.80 2pn1 h LEU 142 Ca 0.32 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2pn1 h LEU 142 Cb -0.05 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 2pn1 h LEU 142 CO -0.06 0.70 0.63 0.00 0.09 0.00 0.00 178.44 179.80 2pn1 h ALA 143 N 0.90 1.28 -0.04 1.53 0.00 -0.19 -2.28 119.26 120.46 2pn1 h ALA 143 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pn1 h ALA 143 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2pn1 h ALA 143 CO 0.01 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.76 2pn1 n ALA 144 N -2.36 2.60 -1.12 0.00 0.00 0.17 -4.93 120.51 114.87 2pn1 n ALA 144 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 2pn1 n ALA 144 Cb 0.10 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 2pn1 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pn1 n GLY 145 N 1.02 0.65 0.23 0.00 0.00 -0.86 -4.90 105.19 101.32 2pn1 n GLY 145 Ca 0.18 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2pn1 n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pn1 h GLU 146 N 0.31 0.00 -3.59 1.61 5.08 -0.77 -3.44 114.58 113.78 2pn1 h GLU 146 Ca -0.08 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.06 2pn1 h GLU 146 Cb 0.51 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.48 2pn1 h GLU 146 CO 0.12 0.12 -0.65 0.14 -1.00 0.00 0.00 179.01 177.74 2pn1 s VAL 147 N -3.43 -0.00 0.55 3.13 -7.23 -1.11 -4.98 120.40 107.32 2pn1 s VAL 147 Ca 0.03 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.19 2pn1 s VAL 147 Cb 0.08 -0.09 0.02 0.00 0.56 0.00 0.00 36.38 36.95 2pn1 s VAL 147 CO 0.63 0.00 0.81 0.00 -0.31 0.00 0.00 175.10 176.23 2pn1 s GLN 148 N 0.05 2.70 0.18 4.82 0.00 -1.26 -4.40 119.66 121.76 2pn1 s GLN 148 Ca -0.00 -0.47 -0.21 0.00 -0.00 0.00 0.00 55.36 54.68 2pn1 s GLN 148 Cb -0.01 -2.41 0.10 0.00 0.00 0.00 0.00 33.01 30.69 2pn1 s GLN 148 CO -0.00 -0.67 1.59 -0.07 0.00 0.00 0.00 175.29 176.14 2pn1 h LEU 149 N 0.01 -1.09 -9.50 2.60 3.38 -2.01 -3.41 115.31 105.29 2pn1 h LEU 149 Ca -0.44 0.21 -0.53 0.00 0.09 0.00 0.00 57.88 57.20 2pn1 h LEU 149 Cb 1.28 0.54 0.01 0.00 0.09 0.00 0.00 40.66 42.57 2pn1 h LEU 149 CO 0.57 -0.30 0.57 -2.16 0.09 0.00 0.00 178.44 177.20 2pn1 s PRO 150 N -6.01 4.43 0.01 1.13 0.04 -1.26 -5.02 135.00 128.31 2pn1 s PRO 150 Ca -0.14 1.79 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 2pn1 s PRO 150 Cb 0.15 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2pn1 s PRO 150 CO 0.69 -0.26 0.16 0.08 0.04 0.00 0.00 177.00 177.72 2pn1 s VAL 151 N 0.99 0.08 -0.14 -0.36 1.01 -1.26 -4.14 120.40 116.59 2pn1 s VAL 151 Ca 0.59 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 2pn1 s VAL 151 Cb -0.30 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 2pn1 s VAL 151 CO 0.30 -0.38 0.30 -0.36 0.00 0.00 0.00 175.10 174.95 2pn1 s PHE 152 N -1.52 3.50 -0.25 5.22 0.08 -1.03 -4.96 117.98 119.02 2pn1 s PHE 152 Ca -0.14 0.64 -0.04 0.00 0.12 0.00 0.00 56.93 57.51 2pn1 s PHE 152 Cb -0.07 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.09 2pn1 s PHE 152 CO 0.01 0.32 -0.02 0.08 -0.10 0.00 0.00 175.22 175.52 2pn1 s VAL 153 N 0.18 3.35 0.31 -0.44 1.01 -1.26 -1.26 120.40 122.29 2pn1 s VAL 153 Ca 0.17 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.52 2pn1 s VAL 153 Cb -0.13 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2pn1 s VAL 153 CO 0.05 0.25 -0.04 -0.54 0.00 0.00 0.00 175.10 174.82 2pn1 s LYS 154 N 1.43 2.04 0.53 2.72 1.02 -0.47 -5.00 119.74 122.01 2pn1 s LYS 154 Ca 0.03 -1.67 -0.18 0.00 0.02 0.00 0.00 55.97 54.17 2pn1 s LYS 154 Cb -0.16 -1.95 -0.06 0.00 -0.52 0.00 0.00 37.83 35.14 2pn1 s LYS 154 CO -0.02 0.24 1.05 -1.25 -0.92 0.00 0.00 175.35 174.45 2pn1 s PRO 155 N -3.66 3.58 0.16 -1.68 0.04 -1.26 -1.25 135.00 130.93 2pn1 s PRO 155 Ca 0.33 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 2pn1 s PRO 155 Cb -0.03 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.49 2pn1 s PRO 155 CO 0.18 -0.61 1.64 -0.09 0.04 0.00 0.00 177.00 178.17 2pn1 h ARG 156 N 1.06 0.90 -6.10 4.56 2.43 -1.76 -3.42 114.38 112.05 2pn1 h ARG 156 Ca -0.48 -0.25 -0.60 0.00 -0.81 0.00 0.00 59.98 57.84 2pn1 h ARG 156 Cb 1.22 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 2pn1 h ARG 156 CO 0.58 0.88 -0.14 -0.80 -1.51 0.00 0.00 179.97 178.98 2pn1 s ASN 157 N -6.30 6.90 0.00 -3.80 0.02 -1.26 -0.62 114.94 109.88 2pn1 s ASN 157 Ca -0.12 1.08 0.00 0.00 -1.02 0.00 0.00 52.86 52.79 2pn1 s ASN 157 Cb 0.12 -2.29 0.00 0.00 0.02 0.00 0.00 41.25 39.10 2pn1 s ASN 157 CO 0.82 0.30 0.00 0.61 0.02 0.00 0.00 177.10 178.85 2pn1 n GLY 158 N 1.76 3.11 1.28 0.66 0.00 0.11 -4.96 105.19 107.14 2pn1 n GLY 158 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2pn1 n GLY 158 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pn1 n ASP 182 N 0.85 0.00 -4.25 1.61 5.75 -1.26 -4.64 116.55 114.61 2pn1 n ASP 182 Ca 0.00 0.85 -0.27 0.00 -0.01 0.00 0.00 54.79 55.37 2pn1 n ASP 182 Cb 0.00 -1.28 -0.08 0.00 -1.03 0.00 0.00 41.12 38.73 2pn1 n ASP 182 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2pn1 s LEU 183 N -0.82 2.06 0.08 -2.12 1.02 -1.26 -2.68 118.68 114.96 2pn1 s LEU 183 Ca 0.00 -1.65 0.03 0.00 0.02 0.00 0.00 54.13 52.53 2pn1 s LEU 183 Cb 0.00 -0.23 -0.03 0.00 0.02 0.00 0.00 46.19 45.95 2pn1 s LEU 183 CO 0.00 -0.89 -0.10 0.27 0.02 0.00 0.00 176.35 175.65 2pn1 s ILE 184 N -3.16 0.82 -0.02 -0.59 -4.36 -0.38 -4.59 121.20 108.93 2pn1 s ILE 184 Ca 0.22 -1.47 0.06 0.00 -0.26 0.00 0.00 60.65 59.20 2pn1 s ILE 184 Cb 0.03 -1.14 -0.03 0.00 1.25 0.00 0.00 42.46 42.57 2pn1 s ILE 184 CO 0.13 -0.50 -0.19 0.54 0.24 0.00 0.00 174.94 175.16 2pn1 s VAL 185 N -2.11 2.70 0.04 8.37 0.11 -0.92 -1.37 120.40 127.22 2pn1 s VAL 185 Ca 0.01 -0.96 -0.15 0.00 -2.93 0.00 0.00 61.98 57.95 2pn1 s VAL 185 Cb -0.05 -2.05 0.02 0.00 -1.53 0.00 0.00 36.38 32.77 2pn1 s VAL 185 CO -0.00 0.52 0.33 0.00 -3.33 0.00 0.00 175.10 172.62 2pn1 s GLN 186 N -0.90 0.84 0.07 1.54 -2.07 -0.39 -0.75 119.66 118.01 2pn1 s GLN 186 Ca 0.12 -0.46 -0.36 0.00 -1.82 0.00 0.00 55.36 52.84 2pn1 s GLN 186 Cb -0.10 0.37 -0.16 0.00 -1.09 0.00 0.00 33.01 32.02 2pn1 s GLN 186 CO 0.01 -0.27 1.44 -1.91 -1.32 0.00 0.00 175.29 173.24 2pn1 n GLU 187 N 0.57 1.41 -2.38 9.60 2.13 -0.22 -2.46 120.64 129.29 2pn1 n GLU 187 Ca -0.19 0.51 -0.42 0.00 0.66 0.00 0.00 57.16 57.72 2pn1 n GLU 187 Cb 0.59 -2.19 -0.02 0.00 0.27 0.00 0.00 31.44 30.09 2pn1 n GLU 187 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2pn1 s LEU 188 N 0.88 3.50 -0.17 4.31 0.05 -1.26 -4.78 118.68 121.21 2pn1 s LEU 188 Ca 0.84 0.54 -0.26 0.00 0.05 0.00 0.00 54.13 55.31 2pn1 s LEU 188 Cb -0.89 -3.30 -0.01 0.00 -2.05 0.00 0.00 46.19 39.94 2pn1 s LEU 188 CO 0.46 -1.57 0.85 -0.76 -0.55 0.00 0.00 176.35 174.78 2pn1 s LEU 189 N 5.73 4.17 -0.28 1.48 1.43 -1.26 -5.03 118.68 124.92 2pn1 s LEU 189 Ca 0.56 1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 54.83 2pn1 s LEU 189 Cb -0.12 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.87 2pn1 s LEU 189 CO 0.29 -0.41 -0.00 -0.69 0.23 0.00 0.00 176.35 175.76 2pn1 s VAL 190 N 2.19 3.18 -1.09 -1.59 1.01 -1.26 -5.05 120.40 117.78 2pn1 s VAL 190 Ca 0.39 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2pn1 s VAL 190 Cb -0.17 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2pn1 s VAL 190 CO 0.12 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2pn1 n GLY 191 N 4.70 -1.32 3.64 4.51 0.00 -1.26 -4.71 105.19 110.75 2pn1 n GLY 191 Ca -0.15 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 2pn1 n GLY 191 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pn1 s GLN 192 N -0.75 4.11 0.10 1.61 2.00 0.12 -4.85 119.66 122.00 2pn1 s GLN 192 Ca 0.00 1.07 -0.29 0.00 -2.00 0.00 0.00 55.36 54.14 2pn1 s GLN 192 Cb 0.00 -3.70 -0.06 0.00 0.80 0.00 0.00 33.01 30.05 2pn1 s GLN 192 CO 0.00 -0.77 0.92 -2.00 -0.50 0.00 0.00 175.29 172.94 2pn1 s GLU 193 N 3.38 4.66 -0.07 1.67 2.12 -1.26 -0.45 118.70 128.76 2pn1 s GLU 193 Ca 0.43 1.38 0.05 0.00 0.36 0.00 0.00 54.97 57.18 2pn1 s GLU 193 Cb -0.13 -3.37 -0.00 0.00 0.26 0.00 0.00 34.13 30.88 2pn1 s GLU 193 CO 0.12 0.23 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.34 2pn1 s LEU 194 N -0.03 2.02 -0.30 2.70 1.43 0.49 -0.85 118.68 124.14 2pn1 s LEU 194 Ca 0.45 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2pn1 s LEU 194 Cb -0.23 -1.27 0.04 0.00 0.03 0.00 0.00 46.19 44.76 2pn1 s LEU 194 CO 0.29 0.19 0.03 -0.83 0.23 0.00 0.00 176.35 176.26 2pn1 s GLY 195 N 0.06 1.77 -0.24 -3.19 0.00 -0.20 -0.47 107.32 105.04 2pn1 s GLY 195 Ca -0.08 -1.69 -0.06 0.00 0.00 0.00 0.00 44.72 42.89 2pn1 s GLY 195 CO 0.05 0.69 0.03 0.14 0.00 0.00 0.00 173.10 174.01 2pn1 s VAL 196 N 1.33 4.03 -0.03 1.40 1.01 0.30 -2.25 120.40 126.18 2pn1 s VAL 196 Ca -0.03 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2pn1 s VAL 196 Cb -0.19 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2pn1 s VAL 196 CO 0.00 0.37 0.47 -1.81 0.00 0.00 0.00 175.10 174.13 2pn1 s ASP 197 N 1.56 6.82 -0.02 3.32 1.01 0.47 -0.33 116.67 129.50 2pn1 s ASP 197 Ca 0.06 0.98 -0.03 0.00 0.71 0.00 0.00 52.55 54.27 2pn1 s ASP 197 Cb -0.15 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.49 2pn1 s ASP 197 CO 0.02 0.19 0.07 0.00 0.21 0.00 0.00 175.17 175.65 2pn1 s ALA 198 N -0.43 -0.16 -0.11 5.23 0.00 -0.12 -0.15 121.76 126.03 2pn1 s ALA 198 Ca 0.26 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.25 2pn1 s ALA 198 Cb -0.17 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2pn1 s ALA 198 CO 0.14 -0.09 -0.16 -0.47 0.00 0.00 0.00 175.76 175.18 2pn1 s TYR 199 N -0.46 2.07 -0.22 0.00 5.04 -0.31 0.23 117.35 123.69 2pn1 s TYR 199 Ca -0.05 -0.98 -0.05 0.00 -2.44 0.00 0.00 57.07 53.55 2pn1 s TYR 199 Cb -0.03 -1.47 -0.02 0.00 0.35 0.00 0.00 41.96 40.78 2pn1 s TYR 199 CO 0.00 -0.49 0.01 0.08 -1.34 0.00 0.00 175.55 173.81 2pn1 s VAL 200 N 0.95 3.86 0.21 3.14 1.01 -0.48 -1.64 120.40 127.45 2pn1 s VAL 200 Ca -0.07 -0.33 -0.32 0.00 0.00 0.00 0.00 61.98 61.26 2pn1 s VAL 200 Cb -0.15 -2.77 -0.13 0.00 0.00 0.00 0.00 36.38 33.33 2pn1 s VAL 200 CO -0.01 0.40 1.63 -0.67 0.00 0.00 0.00 175.10 176.44 2pn1 n ASP 201 N 4.64 3.57 0.21 3.32 2.03 -0.14 -0.10 116.55 130.08 2pn1 n ASP 201 Ca -0.17 1.09 0.15 0.00 0.52 0.00 0.00 54.79 56.38 2pn1 n ASP 201 Cb 0.51 -1.52 0.56 0.00 -0.72 0.00 0.00 41.12 39.95 2pn1 n ASP 201 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2pn1 h LEU 202 N 5.91 0.00 0.00 -2.67 3.38 -1.94 -1.68 115.31 118.31 2pn1 h LEU 202 Ca -0.44 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 2pn1 h LEU 202 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2pn1 h LEU 202 CO 0.89 0.00 -1.25 -0.38 0.09 0.00 0.00 178.44 177.79 2pn1 n ILE 203 N -2.74 1.50 0.25 1.22 5.41 -1.26 -4.64 119.36 119.09 2pn1 n ILE 203 Ca 0.02 0.05 0.14 0.00 1.00 0.00 0.00 62.75 63.96 2pn1 n ILE 203 Cb 0.31 -2.26 0.41 0.00 -0.71 0.00 0.00 39.64 37.39 2pn1 n ILE 203 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2pn1 h SER 204 N -1.00 0.00 -0.02 4.38 4.64 -1.97 -3.47 113.55 116.11 2pn1 h SER 204 Ca -0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 2pn1 h SER 204 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2pn1 h SER 204 CO -0.08 0.01 -0.01 0.61 -0.87 0.00 0.00 176.83 176.49 2pn1 n GLY 205 N 0.58 0.30 3.91 -0.77 0.00 -0.63 -5.01 105.19 103.56 2pn1 n GLY 205 Ca 0.02 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2pn1 n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pn1 s LYS 206 N -1.07 3.48 -0.11 1.61 1.02 -1.26 -4.75 119.74 118.66 2pn1 s LYS 206 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 2pn1 s LYS 206 Cb 0.00 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 2pn1 s LYS 206 CO 0.00 0.63 1.37 0.54 -0.92 0.00 0.00 175.35 176.97 2pn1 s VAL 207 N -1.41 4.05 -0.11 3.17 0.11 -1.26 -0.97 120.40 123.98 2pn1 s VAL 207 Ca 0.31 1.30 0.18 0.00 -2.93 0.00 0.00 61.98 60.84 2pn1 s VAL 207 Cb -0.13 -3.84 -0.26 0.00 -1.53 0.00 0.00 36.38 30.62 2pn1 s VAL 207 CO 0.22 -0.09 0.23 0.35 -3.33 0.00 0.00 175.10 172.47 2pn1 n THR 208 N 5.27 0.71 -3.65 5.04 -2.24 -0.65 -4.77 114.28 113.99 2pn1 n THR 208 Ca 0.14 -0.64 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 2pn1 n THR 208 Cb 0.44 -0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 2pn1 n THR 208 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pn1 s SER 209 N -4.85 -0.68 -0.05 3.42 1.04 -1.23 -1.08 113.70 110.28 2pn1 s SER 209 Ca -0.08 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2pn1 s SER 209 Cb 0.09 1.30 0.02 0.00 0.10 0.00 0.00 66.02 67.53 2pn1 s SER 209 CO 0.79 -0.24 -0.03 -0.63 0.98 0.00 0.00 173.24 174.11 2pn1 s ILE 210 N 0.29 0.49 -0.13 -1.02 1.01 -1.26 -1.17 121.20 119.41 2pn1 s ILE 210 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.61 2pn1 s ILE 210 Cb -0.04 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.89 2pn1 s ILE 210 CO 0.01 0.23 -0.16 0.12 0.00 0.00 0.00 174.94 175.14 2pn1 s PHE 211 N 1.23 2.22 -0.16 3.97 5.36 0.79 -4.30 117.98 127.09 2pn1 s PHE 211 Ca -0.06 -1.15 -0.03 0.00 -0.96 0.00 0.00 56.93 54.72 2pn1 s PHE 211 Cb -0.14 -1.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.93 2pn1 s PHE 211 CO -0.02 -0.59 -0.04 0.42 -1.46 0.00 0.00 175.22 173.53 2pn1 s ILE 212 N 1.15 3.79 0.03 3.12 1.01 -1.26 -0.40 121.20 128.64 2pn1 s ILE 212 Ca -0.02 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2pn1 s ILE 212 Cb -0.14 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 2pn1 s ILE 212 CO -0.06 0.49 -0.11 -1.59 0.00 0.00 0.00 174.94 173.67 2pn1 s LYS 213 N 0.48 0.78 -0.05 2.79 -2.85 -0.96 -1.13 119.74 118.81 2pn1 s LYS 213 Ca -0.04 -0.64 -0.28 0.00 -1.00 0.00 0.00 55.97 54.01 2pn1 s LYS 213 Cb -0.14 -0.74 -0.03 0.00 -2.06 0.00 0.00 37.83 34.86 2pn1 s LYS 213 CO 0.03 0.18 0.89 -1.21 0.10 0.00 0.00 175.35 175.34 2pn1 s GLU 214 N -0.99 4.49 -0.38 1.78 2.02 0.71 -1.03 118.70 125.29 2pn1 s GLU 214 Ca -0.00 1.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.92 2pn1 s GLU 214 Cb -0.07 -3.48 0.02 0.00 0.10 0.00 0.00 34.13 30.70 2pn1 s GLU 214 CO 0.01 -0.07 1.13 0.15 0.02 0.00 0.00 175.26 176.50 2pn1 s LYS 215 N 1.17 3.91 -0.16 1.61 1.02 -0.03 -1.95 119.74 125.30 2pn1 s LYS 215 Ca 0.46 0.89 -0.10 0.00 0.02 0.00 0.00 55.97 57.24 2pn1 s LYS 215 Cb -0.19 -3.82 -0.23 0.00 -0.52 0.00 0.00 37.83 33.06 2pn1 s LYS 215 CO 0.23 -1.13 0.24 1.28 -0.92 0.00 0.00 175.35 175.05 2pn1 n LEU 216 N 7.37 2.43 0.00 3.17 4.77 0.01 -4.58 117.00 130.17 2pn1 n LEU 216 Ca 0.12 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2pn1 n LEU 216 Cb 0.48 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2pn1 n LEU 216 CO 0.65 0.70 0.00 0.41 -1.33 0.00 0.00 177.39 177.81 2pn1 n THR 217 N -3.75 0.00 0.00 -5.08 -1.04 -1.06 -4.98 114.28 98.37 2pn1 n THR 217 Ca -0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 2pn1 n THR 217 Cb 0.94 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.45 2pn1 n THR 217 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2pn1 n ARG 219 N 0.00 0.00 -4.27 -2.82 0.63 0.08 -1.14 116.66 109.14 2pn1 n ARG 219 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 2pn1 n ARG 219 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 2pn1 n ARG 219 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2pn1 n ALA 220 N 0.00 -1.31 -0.99 5.13 0.00 -1.26 -0.87 120.51 121.21 2pn1 n ALA 220 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2pn1 n ALA 220 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.29 2pn1 n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pn1 n GLY 221 N -1.40 0.55 3.43 0.00 0.00 -1.26 -5.03 105.19 101.49 2pn1 n GLY 221 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2pn1 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pn1 s GLU 222 N -0.16 1.57 -0.14 1.61 0.41 -0.05 -5.09 118.70 116.86 2pn1 s GLU 222 Ca 0.00 -1.67 -0.29 0.00 -0.41 0.00 0.00 54.97 52.59 2pn1 s GLU 222 Cb 0.00 -1.66 -0.03 0.00 -1.78 0.00 0.00 34.13 30.66 2pn1 s GLU 222 CO 0.00 0.32 1.40 0.99 -0.49 0.00 0.00 175.26 177.47 2pn1 s THR 223 N -2.39 4.04 -0.23 3.63 2.01 -1.26 -0.74 115.64 120.70 2pn1 s THR 223 Ca 0.26 1.25 0.05 0.00 0.31 0.00 0.00 61.69 63.57 2pn1 s THR 223 Cb -0.05 -3.83 -0.17 0.00 0.01 0.00 0.00 72.50 68.46 2pn1 s THR 223 CO 0.12 -0.13 -0.15 -0.67 -0.69 0.00 0.00 174.62 173.10 2pn1 n ASP 224 N 6.88 1.79 -4.00 3.53 2.03 -0.29 -4.69 116.55 121.80 2pn1 n ASP 224 Ca 0.15 -0.10 -0.19 0.00 0.52 0.00 0.00 54.79 55.17 2pn1 n ASP 224 Cb 0.44 -0.09 -0.15 0.00 -0.72 0.00 0.00 41.12 40.60 2pn1 n ASP 224 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2pn1 s LYS 225 N -2.47 0.74 0.16 -0.67 1.02 -1.03 -1.34 119.74 116.14 2pn1 s LYS 225 Ca -0.27 -0.28 -0.18 0.00 0.02 0.00 0.00 55.97 55.25 2pn1 s LYS 225 Cb 0.08 -0.71 0.04 0.00 -0.52 0.00 0.00 37.83 36.72 2pn1 s LYS 225 CO 0.59 0.15 0.49 -1.54 -0.92 0.00 0.00 175.35 174.12 2pn1 s SER 226 N -0.04 -0.33 -0.08 2.83 1.04 -1.26 -0.81 113.70 115.05 2pn1 s SER 226 Ca 0.01 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.16 2pn1 s SER 226 Cb -0.05 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.62 2pn1 s SER 226 CO -0.00 -0.94 -0.11 -0.60 0.98 0.00 0.00 173.24 172.57 2pn1 s ARG 227 N -3.81 1.64 0.38 4.02 3.52 -0.82 -4.21 118.95 119.67 2pn1 s ARG 227 Ca 0.04 -0.36 -0.26 0.00 -0.13 0.00 0.00 55.73 55.02 2pn1 s ARG 227 Cb 0.00 -1.47 -0.09 0.00 -1.56 0.00 0.00 34.95 31.83 2pn1 s ARG 227 CO -0.09 -0.08 1.18 -1.54 -0.81 0.00 0.00 175.30 173.96 2pn1 s SER 228 N 1.03 6.62 0.03 -2.12 1.04 0.17 -0.21 113.70 120.26 2pn1 s SER 228 Ca -0.08 2.39 -0.00 0.00 0.48 0.00 0.00 55.95 58.74 2pn1 s SER 228 Cb -0.15 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.33 2pn1 s SER 228 CO -0.01 -0.61 -0.03 0.68 0.98 0.00 0.00 173.24 174.25 2pn1 s VAL 229 N -1.35 0.17 -0.24 5.02 -7.23 -0.29 -0.73 120.40 115.75 2pn1 s VAL 229 Ca 0.55 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 2pn1 s VAL 229 Cb -0.32 -0.56 0.04 0.00 0.56 0.00 0.00 36.38 36.09 2pn1 s VAL 229 CO 0.41 -0.60 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.74 2pn1 s LEU 230 N -1.79 3.11 -0.10 1.32 1.43 -1.26 -4.30 118.68 117.09 2pn1 s LEU 230 Ca -0.10 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 51.97 2pn1 s LEU 230 Cb -0.06 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.60 2pn1 s LEU 230 CO -0.03 -0.13 0.06 -0.13 0.23 0.00 0.00 176.35 176.36 2pn1 s ARG 231 N 1.25 0.10 0.24 1.70 0.52 -1.26 -5.04 118.95 116.47 2pn1 s ARG 231 Ca -0.02 0.12 -0.05 0.00 -0.52 0.00 0.00 55.73 55.26 2pn1 s ARG 231 Cb -0.17 -1.18 0.34 0.00 0.52 0.00 0.00 34.95 34.46 2pn1 s ARG 231 CO -0.06 -0.48 1.86 -0.44 0.02 0.00 0.00 175.30 176.20 2pn1 h ASP 232 N 8.41 0.87 -0.49 0.23 3.32 -1.99 -1.93 116.42 124.84 2pn1 h ASP 232 Ca -0.14 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.96 2pn1 h ASP 232 Cb 1.13 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 2pn1 h ASP 232 CO 0.23 0.56 0.26 -2.24 -1.72 0.00 0.00 179.24 176.32 2pn1 h ASP 233 N 1.01 0.38 -0.38 6.45 2.03 -1.99 0.80 116.42 124.73 2pn1 h ASP 233 Ca 0.38 0.02 -0.05 0.00 -0.73 0.00 0.00 57.03 56.65 2pn1 h ASP 233 Cb 0.17 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 2pn1 h ASP 233 CO -0.17 0.27 0.03 0.58 -1.03 0.00 0.00 179.24 178.92 2pn1 h VAL 234 N 0.51 1.25 -0.23 4.15 2.07 -1.87 -0.40 116.25 121.72 2pn1 h VAL 234 Ca 0.21 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2pn1 h VAL 234 Cb 0.10 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2pn1 h VAL 234 CO -0.13 0.31 0.06 -0.26 0.02 0.00 0.00 177.57 177.57 2pn1 h PHE 235 N 0.48 0.10 -0.49 1.57 0.04 -0.98 -0.54 116.94 117.12 2pn1 h PHE 235 Ca 0.11 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 2pn1 h PHE 235 Cb 0.42 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 2pn1 h PHE 235 CO 0.03 0.04 0.21 0.93 -0.60 0.00 0.00 178.31 178.92 2pn1 h GLU 236 N 0.16 0.72 -0.04 1.51 5.08 -0.76 -0.74 114.58 120.51 2pn1 h GLU 236 Ca 0.10 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2pn1 h GLU 236 Cb 0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2pn1 h GLU 236 CO -0.13 0.63 -0.02 1.25 -1.00 0.00 0.00 179.01 179.74 2pn1 h LEU 237 N 0.64 -0.08 -0.42 1.33 5.85 -0.80 -0.26 115.31 121.57 2pn1 h LEU 237 Ca 0.16 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2pn1 h LEU 237 Cb 0.17 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2pn1 h LEU 237 CO -0.02 -0.04 0.21 0.58 -0.34 0.00 0.00 178.44 178.83 2pn1 h VAL 238 N -0.03 1.17 -0.14 1.05 2.07 -1.02 -0.64 116.25 118.72 2pn1 h VAL 238 Ca 0.02 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2pn1 h VAL 238 Cb 0.06 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2pn1 h VAL 238 CO -0.05 0.19 -0.00 -0.33 0.02 0.00 0.00 177.57 177.39 2pn1 h GLU 239 N 0.53 0.04 -0.56 1.57 5.08 -1.00 -0.16 114.58 120.09 2pn1 h GLU 239 Ca 0.14 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2pn1 h GLU 239 Cb 0.11 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2pn1 h GLU 239 CO -0.02 0.03 0.33 1.25 -1.00 0.00 0.00 179.01 179.60 2pn1 h HIS 240 N 0.04 0.62 -0.14 4.33 2.76 -0.90 0.15 115.15 122.02 2pn1 h HIS 240 Ca 0.07 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2pn1 h HIS 240 Cb 0.08 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 2pn1 h HIS 240 CO -0.15 0.35 0.04 0.28 -1.30 0.00 0.00 177.93 177.15 2pn1 h VAL 241 N 0.66 1.18 -0.12 5.26 2.07 -0.91 -3.15 116.25 121.23 2pn1 h VAL 241 Ca 0.23 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 2pn1 h VAL 241 Cb 0.03 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2pn1 h VAL 241 CO -0.10 0.17 -0.34 -0.07 0.02 0.00 0.00 177.57 177.24 2pn1 h LEU 242 N 0.04 0.26 -8.79 2.57 3.38 -0.81 -3.38 115.31 108.57 2pn1 h LEU 242 Ca 0.04 -0.09 -0.63 0.00 0.09 0.00 0.00 57.88 57.29 2pn1 h LEU 242 Cb 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2pn1 h LEU 242 CO -0.00 0.59 1.44 -0.67 0.09 0.00 0.00 178.44 179.89 2pn1 n ASP 243 N -4.08 2.75 0.00 -0.43 2.03 0.49 -1.12 116.55 116.19 2pn1 n ASP 243 Ca -0.01 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2pn1 n ASP 243 Cb 0.43 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 2pn1 n ASP 243 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pn1 n GLY 244 N 6.05 0.59 0.22 0.27 0.00 -1.26 -4.93 105.19 106.13 2pn1 n GLY 244 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 2pn1 n GLY 244 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pn1 h SER 245 N 0.00 0.70 0.00 1.61 4.64 -1.30 -3.47 113.55 115.73 2pn1 h SER 245 Ca 0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2pn1 h SER 245 Cb 0.10 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2pn1 h SER 245 CO 0.00 1.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.68 2pn1 n GLY 246 N 0.28 0.86 3.75 -0.77 0.00 -1.26 -4.94 105.19 103.10 2pn1 n GLY 246 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2pn1 n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pn1 s LEU 247 N 0.00 4.42 0.11 0.99 1.43 -1.26 -4.28 118.68 120.08 2pn1 s LEU 247 Ca 0.00 2.50 0.03 0.00 -1.03 0.00 0.00 54.13 55.63 2pn1 s LEU 247 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2pn1 s LEU 247 CO 0.00 -0.54 -0.08 0.68 0.23 0.00 0.00 176.35 176.64 2pn1 s VAL 248 N -0.22 0.83 0.00 -1.59 -7.23 -1.26 -4.84 120.40 106.09 2pn1 s VAL 248 Ca 0.55 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2pn1 s VAL 248 Cb -0.38 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 34.86 2pn1 s VAL 248 CO 0.42 -0.82 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 2pn1 n GLY 249 N -0.03 -0.06 3.73 2.32 0.00 0.86 -4.40 105.19 107.61 2pn1 n GLY 249 Ca -0.12 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 2pn1 n GLY 249 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pn1 s PRO 250 N 0.00 4.42 0.06 1.61 0.04 -1.26 -1.38 135.00 138.49 2pn1 s PRO 250 Ca 0.00 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2pn1 s PRO 250 Cb 0.00 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 2pn1 s PRO 250 CO 0.00 -0.22 -0.04 -0.51 0.04 0.00 0.00 177.00 176.27 2pn1 s LEU 251 N 0.13 2.44 -0.05 -3.56 1.43 0.13 -2.80 118.68 116.41 2pn1 s LEU 251 Ca 0.57 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2pn1 s LEU 251 Cb -0.34 0.08 0.02 0.00 0.03 0.00 0.00 46.19 45.98 2pn1 s LEU 251 CO 0.36 -0.48 -0.03 -0.62 0.23 0.00 0.00 176.35 175.81 2pn1 s ASP 252 N -2.61 0.97 -0.08 2.29 2.15 -0.55 -0.94 116.67 117.90 2pn1 s ASP 252 Ca 0.03 -0.10 0.03 0.00 0.43 0.00 0.00 52.55 52.95 2pn1 s ASP 252 Cb 0.03 -0.40 -0.01 0.00 -0.30 0.00 0.00 42.92 42.23 2pn1 s ASP 252 CO -0.06 -0.09 -0.19 -0.36 -0.17 0.00 0.00 175.17 174.30 2pn1 s PHE 253 N 1.13 2.62 -0.23 -5.34 0.40 0.55 -0.14 117.98 116.98 2pn1 s PHE 253 Ca -0.08 -0.62 -0.06 0.00 -0.60 0.00 0.00 56.93 55.58 2pn1 s PHE 253 Cb -0.14 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 2pn1 s PHE 253 CO -0.01 -0.15 0.03 0.34 0.70 0.00 0.00 175.22 176.13 2pn1 s ASP 254 N -0.07 4.95 0.27 1.36 2.15 0.36 -0.54 116.67 125.14 2pn1 s ASP 254 Ca -0.04 -0.22 0.06 0.00 0.43 0.00 0.00 52.55 52.78 2pn1 s ASP 254 Cb -0.14 -1.87 -0.06 0.00 -0.30 0.00 0.00 42.92 40.55 2pn1 s ASP 254 CO 0.04 0.01 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.25 2pn1 s LEU 255 N 1.35 2.39 -0.05 -1.34 1.43 0.37 -0.66 118.68 122.18 2pn1 s LEU 255 Ca 0.05 -1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 51.93 2pn1 s LEU 255 Cb -0.15 -0.53 0.03 0.00 0.03 0.00 0.00 46.19 45.57 2pn1 s LEU 255 CO 0.02 -0.41 -0.00 -0.36 0.23 0.00 0.00 176.35 175.83 2pn1 s PHE 256 N -3.13 0.53 -0.36 0.29 0.40 -0.09 -0.38 117.98 115.24 2pn1 s PHE 256 Ca 0.30 -0.09 -0.21 0.00 -0.60 0.00 0.00 56.93 56.33 2pn1 s PHE 256 Cb 0.05 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.95 2pn1 s PHE 256 CO 0.11 -0.23 0.66 0.34 0.70 0.00 0.00 175.22 176.81 2pn1 s ASP 257 N 1.49 6.45 -0.38 1.36 2.15 0.40 -0.34 116.67 127.81 2pn1 s ASP 257 Ca -0.03 0.18 0.03 0.00 0.43 0.00 0.00 52.55 53.16 2pn1 s ASP 257 Cb -0.13 -2.34 0.11 0.00 -0.30 0.00 0.00 42.92 40.26 2pn1 s ASP 257 CO -0.03 -0.62 0.11 -0.69 -0.17 0.00 0.00 175.17 173.76 2pn1 s VAL 258 N 2.79 2.18 -1.32 1.11 1.01 -0.34 -0.70 120.40 125.13 2pn1 s VAL 258 Ca 0.26 -2.47 -0.08 0.00 0.00 0.00 0.00 61.98 59.69 2pn1 s VAL 258 Cb -0.14 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2pn1 s VAL 258 CO 0.15 -0.66 1.15 0.00 0.00 0.00 0.00 175.10 175.74 2pn1 n ALA 259 N 4.04 -1.39 -0.44 5.51 0.00 -1.26 -2.58 120.51 124.40 2pn1 n ALA 259 Ca 0.04 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2pn1 n ALA 259 Cb 0.40 -5.04 0.00 0.00 0.00 0.00 0.00 19.45 14.81 2pn1 n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pn1 n GLY 260 N -1.87 1.45 3.58 0.00 0.00 -1.26 -5.04 105.19 102.04 2pn1 n GLY 260 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2pn1 n GLY 260 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pn1 s THR 261 N -3.18 4.42 -0.25 2.61 2.01 -1.06 -5.09 115.64 115.09 2pn1 s THR 261 Ca 0.00 -0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.60 2pn1 s THR 261 Cb 0.00 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 2pn1 s THR 261 CO 0.00 0.47 0.76 -0.76 -0.69 0.00 0.00 174.62 174.40 2pn1 s LEU 262 N 0.40 4.07 -0.14 4.42 1.43 -1.26 -1.20 118.68 126.40 2pn1 s LEU 262 Ca 0.00 0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 53.93 2pn1 s LEU 262 Cb -0.13 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2pn1 s LEU 262 CO 0.01 -0.48 0.07 -0.31 0.23 0.00 0.00 176.35 175.88 2pn1 s TYR 263 N 2.74 3.32 -0.22 0.29 1.51 0.54 -4.33 117.35 121.20 2pn1 s TYR 263 Ca 0.32 0.22 -0.20 0.00 -1.01 0.00 0.00 57.07 56.40 2pn1 s TYR 263 Cb -0.15 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.69 2pn1 s TYR 263 CO 0.08 0.38 0.61 -1.17 -1.11 0.00 0.00 175.55 174.34 2pn1 s LEU 264 N -0.27 4.11 -0.27 -1.29 2.96 0.11 -0.92 118.68 123.11 2pn1 s LEU 264 Ca 0.09 0.75 -0.11 0.00 -0.22 0.00 0.00 54.13 54.64 2pn1 s LEU 264 Cb -0.12 -2.84 -0.12 0.00 0.50 0.00 0.00 46.19 43.60 2pn1 s LEU 264 CO 0.01 -0.30 -0.33 -0.24 -1.32 0.00 0.00 176.35 174.18 2pn1 n SER 265 N 5.27 1.92 -3.83 3.68 2.88 0.17 -4.50 113.62 119.22 2pn1 n SER 265 Ca -0.02 0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 57.65 2pn1 n SER 265 Cb 0.49 -0.72 -0.10 0.00 -0.75 0.00 0.00 64.21 63.14 2pn1 n SER 265 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2pn1 s GLU 266 N -2.50 0.52 -0.18 -1.46 2.02 -0.90 -4.97 118.70 111.24 2pn1 s GLU 266 Ca -0.37 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.36 2pn1 s GLU 266 Cb 0.13 0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.62 2pn1 s GLU 266 CO 0.49 -0.13 -0.17 0.42 0.02 0.00 0.00 175.26 175.89 2pn1 s ILE 267 N -1.23 1.90 -0.36 -1.63 1.01 -1.26 -0.49 121.20 119.14 2pn1 s ILE 267 Ca -0.13 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 2pn1 s ILE 267 Cb -0.06 -1.77 0.09 0.00 0.01 0.00 0.00 42.46 40.73 2pn1 s ILE 267 CO 0.02 0.45 0.10 0.20 0.00 0.00 0.00 174.94 175.72 2pn1 s ASN 268 N 1.34 5.01 -0.75 3.58 0.01 0.80 -4.67 114.94 120.27 2pn1 s ASN 268 Ca 0.04 -1.84 -0.05 0.00 -0.71 0.00 0.00 52.86 50.30 2pn1 s ASN 268 Cb -0.14 -1.74 -0.05 0.00 0.41 0.00 0.00 41.25 39.73 2pn1 s ASN 268 CO -0.11 -0.42 1.99 -2.65 -1.51 0.00 0.00 177.10 174.40 2pn1 n PRO 269 N 4.51 1.79 -3.80 -0.60 -0.02 -1.26 -1.48 135.00 134.14 2pn1 n PRO 269 Ca -0.04 -1.28 -0.04 0.00 -2.02 0.00 0.00 63.50 60.12 2pn1 n PRO 269 Cb 0.42 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 2pn1 n PRO 269 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2pn1 s ARG 270 N 3.45 1.37 0.21 -0.52 1.04 -1.12 -4.77 118.95 118.61 2pn1 s ARG 270 Ca 0.35 -0.80 -0.32 0.00 -1.04 0.00 0.00 55.73 53.92 2pn1 s ARG 270 Cb 0.10 0.44 -0.12 0.00 -2.04 0.00 0.00 34.95 33.32 2pn1 s ARG 270 CO -0.03 -0.63 1.67 1.19 -0.04 0.00 0.00 175.30 177.46 2pn1 n PHE 271 N -0.52 2.65 -2.09 5.89 3.72 -1.26 -2.71 117.46 123.15 2pn1 n PHE 271 Ca -0.05 0.12 -0.32 0.00 -0.05 0.00 0.00 57.45 57.14 2pn1 n PHE 271 Cb 0.60 -2.63 0.00 0.00 -0.94 0.00 0.00 39.48 36.51 2pn1 n PHE 271 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2pn1 s GLY 272 N 1.02 2.05 0.63 1.37 0.00 -1.26 -4.94 107.32 106.18 2pn1 s GLY 272 Ca 0.74 0.29 0.39 0.00 0.00 0.00 0.00 44.72 46.14 2pn1 s GLY 272 CO 0.36 0.59 2.29 -1.33 0.00 0.00 0.00 173.10 175.00 2pn1 h GLY 273 N 0.43 0.00 -1.61 0.20 0.00 -1.96 -1.90 103.07 98.23 2pn1 h GLY 273 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2pn1 h GLY 273 CO 0.59 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.74 2pn1 n GLY 274 N -0.97 1.06 0.32 4.60 0.00 -1.26 -4.57 105.19 104.39 2pn1 n GLY 274 Ca -0.02 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.60 2pn1 n GLY 274 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2pn1 h TYR 275 N 2.63 0.86 -1.04 1.61 3.20 -1.72 -1.65 116.97 120.87 2pn1 h TYR 275 Ca 0.00 0.03 0.30 0.00 3.14 0.00 0.00 58.73 62.21 2pn1 h TYR 275 Cb 0.60 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 2pn1 h TYR 275 CO 0.29 0.19 0.80 -1.35 -1.64 0.00 0.00 178.16 176.44 2pn1 h PRO 276 N 0.66 0.00 0.03 1.82 0.11 -1.85 0.36 132.00 133.13 2pn1 h PRO 276 Ca 0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.61 2pn1 h PRO 276 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2pn1 h PRO 276 CO -0.38 0.00 -0.01 1.25 -0.21 0.00 0.00 178.00 178.65 2pn1 h HIS 277 N 0.00 -0.04 0.12 0.65 2.76 -1.67 -1.20 115.15 115.77 2pn1 h HIS 277 Ca 0.50 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.68 2pn1 h HIS 277 Cb 2.08 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 31.03 2pn1 h HIS 277 CO 0.00 0.04 -0.18 0.00 -1.30 0.00 0.00 177.93 176.49 2pn1 h ALA 278 N 0.87 -0.31 -0.10 5.26 0.00 -1.10 -1.66 119.26 122.22 2pn1 h ALA 278 Ca -0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2pn1 h ALA 278 Cb 0.09 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2pn1 h ALA 278 CO 0.01 -0.71 -0.26 -0.92 0.00 0.00 0.00 179.25 177.37 2pn1 h TYR 279 N -0.36 -0.69 0.00 0.00 5.03 -1.17 -1.08 116.97 118.71 2pn1 h TYR 279 Ca 0.02 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 2pn1 h TYR 279 Cb 0.37 0.32 -0.00 0.00 1.55 0.00 0.00 36.73 38.96 2pn1 h TYR 279 CO -0.17 -0.34 -0.12 0.93 -1.32 0.00 0.00 178.16 177.14 2pn1 h GLU 280 N -0.34 0.00 -0.09 1.82 4.39 -1.12 -0.67 114.58 118.57 2pn1 h GLU 280 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2pn1 h GLU 280 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2pn1 h GLU 280 CO -0.29 0.12 0.00 0.00 -1.16 0.00 0.00 179.01 177.67 2pn1 n GLY 282 N 0.91 0.68 3.41 0.00 0.00 -0.26 -4.63 105.19 105.30 2pn1 n GLY 282 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 2pn1 n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pn1 s VAL 283 N -2.33 4.83 -0.87 1.61 1.01 -0.49 -4.98 120.40 119.17 2pn1 s VAL 283 Ca 0.00 -1.36 -0.10 0.00 0.00 0.00 0.00 61.98 60.52 2pn1 s VAL 283 Cb 0.00 -4.63 0.23 0.00 0.00 0.00 0.00 36.38 31.97 2pn1 s VAL 283 CO 0.00 -1.31 0.80 0.21 0.00 0.00 0.00 175.10 174.80 2pn1 s ASN 284 N 3.41 6.61 0.10 3.32 3.84 -1.26 -2.99 114.94 127.97 2pn1 s ASN 284 Ca 0.22 -3.03 -0.15 0.00 0.21 0.00 0.00 52.86 50.11 2pn1 s ASN 284 Cb -0.13 -2.13 -0.07 0.00 -0.55 0.00 0.00 41.25 38.36 2pn1 s ASN 284 CO -0.02 -0.44 1.45 -0.26 -2.79 0.00 0.00 177.10 175.05 2pn1 h PHE 285 N 7.24 0.80 -0.97 0.43 -1.00 -1.96 -2.35 116.94 119.13 2pn1 h PHE 285 Ca 0.11 -0.21 0.07 0.00 2.81 0.00 0.00 57.97 60.75 2pn1 h PHE 285 Cb 0.97 -0.18 -0.07 0.00 3.61 0.00 0.00 35.95 40.28 2pn1 h PHE 285 CO 0.90 0.93 0.63 -1.35 -1.61 0.00 0.00 178.31 177.80 2pn1 h PRO 286 N 0.44 1.06 -0.49 1.51 0.11 -1.92 0.34 132.00 133.06 2pn1 h PRO 286 Ca 0.06 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 2pn1 h PRO 286 Cb 0.75 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2pn1 h PRO 286 CO 0.06 0.70 0.05 0.00 -0.21 0.00 0.00 178.00 178.59 2pn1 h ALA 287 N 1.49 0.65 -0.72 -0.75 0.00 -1.85 0.31 119.26 118.40 2pn1 h ALA 287 Ca 0.43 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2pn1 h ALA 287 Cb 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2pn1 h ALA 287 CO -0.18 0.41 0.23 1.96 0.00 0.00 0.00 179.25 181.68 2pn1 h GLN 288 N 0.70 1.10 -0.12 0.00 4.20 -0.85 0.01 115.11 120.13 2pn1 h GLN 288 Ca 0.14 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2pn1 h GLN 288 Cb 0.45 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2pn1 h GLN 288 CO 0.02 0.93 0.03 1.25 -0.67 0.00 0.00 178.83 180.39 2pn1 h LEU 289 N 1.06 0.19 -0.35 1.46 6.46 -0.14 -0.34 115.31 123.64 2pn1 h LEU 289 Ca 0.23 -0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.83 2pn1 h LEU 289 Cb 0.28 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.11 2pn1 h LEU 289 CO -0.01 0.36 -0.00 0.22 -0.62 0.00 0.00 178.44 178.39 2pn1 h TYR 290 N 0.00 -0.02 -0.75 1.25 3.20 -0.71 -0.73 116.97 119.21 2pn1 h TYR 290 Ca 0.04 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.97 2pn1 h TYR 290 Cb 0.25 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 2pn1 h TYR 290 CO 0.01 -0.07 0.47 0.00 -1.64 0.00 0.00 178.16 176.93 2pn1 h ARG 291 N 0.10 0.88 -0.67 1.82 3.08 -0.78 -2.52 114.38 116.30 2pn1 h ARG 291 Ca 0.17 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2pn1 h ARG 291 Cb 0.24 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2pn1 h ARG 291 CO -0.29 0.58 0.38 -0.91 -1.07 0.00 0.00 179.97 178.67 2pn1 h ASN 292 N 0.91 0.82 0.00 7.04 -0.26 -0.50 0.77 115.58 124.35 2pn1 h ASN 292 Ca 0.30 -0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.94 2pn1 h ASN 292 Cb 0.04 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 2pn1 h ASN 292 CO -0.12 0.66 0.06 0.18 -1.06 0.00 0.00 177.43 177.15 2pn1 n LEU 293 N -4.54 1.98 -0.86 1.61 4.77 -0.33 -4.14 117.00 115.49 2pn1 n LEU 293 Ca 0.05 -1.12 0.02 0.00 -0.03 0.00 0.00 56.01 54.93 2pn1 n LEU 293 Cb 0.07 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2pn1 n LEU 293 CO 0.37 0.36 0.19 1.41 -1.33 0.00 0.00 177.39 178.38 2pn1 n HIS 295 N 2.18 0.00 -3.85 -1.77 8.25 -0.91 -4.91 115.22 114.20 2pn1 n HIS 295 Ca 0.06 -0.22 -0.36 0.00 -0.26 0.00 0.00 57.72 56.94 2pn1 n HIS 295 Cb 0.24 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.19 2pn1 n HIS 295 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2pn1 s GLU 296 N -0.10 3.79 0.09 -0.41 2.02 0.22 -5.09 118.70 119.22 2pn1 s GLU 296 Ca 0.14 -0.20 -0.28 0.00 0.02 0.00 0.00 54.97 54.64 2pn1 s GLU 296 Cb 0.15 -3.27 -0.06 0.00 0.10 0.00 0.00 34.13 31.06 2pn1 s GLU 296 CO -0.06 0.52 0.89 0.42 0.02 0.00 0.00 175.26 177.05 2pn1 s ILE 297 N -0.28 4.58 0.07 -1.63 1.01 -1.26 -3.39 121.20 120.30 2pn1 s ILE 297 Ca 0.11 1.91 -0.25 0.00 0.00 0.00 0.00 60.65 62.42 2pn1 s ILE 297 Cb -0.12 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.05 2pn1 s ILE 297 CO 0.01 0.33 0.77 0.20 0.00 0.00 0.00 174.94 176.26 2pn1 s ASN 298 N -0.02 7.26 -0.07 3.58 0.01 -1.26 -5.04 114.94 119.40 2pn1 s ASN 298 Ca 0.44 1.50 -0.30 0.00 -0.71 0.00 0.00 52.86 53.79 2pn1 s ASN 298 Cb -0.22 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 2pn1 s ASN 298 CO 0.27 0.06 1.07 -0.69 -1.51 0.00 0.00 177.10 176.30 2pn1 s VAL 299 N -0.29 4.60 0.21 1.60 1.01 -1.26 -4.94 120.40 121.33 2pn1 s VAL 299 Ca 0.38 1.88 -0.32 0.00 0.00 0.00 0.00 61.98 63.93 2pn1 s VAL 299 Cb -0.21 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.84 2pn1 s VAL 299 CO 0.24 0.02 1.66 -2.84 0.00 0.00 0.00 175.10 174.18 2pn1 s PRO 300 N 1.95 4.15 -0.39 2.72 0.02 -1.26 -4.94 135.00 137.24 2pn1 s PRO 300 Ca 0.51 2.53 0.09 0.00 0.02 0.00 0.00 61.00 64.16 2pn1 s PRO 300 Cb -0.21 -3.09 0.29 0.00 0.02 0.00 0.00 34.50 31.51 2pn1 s PRO 300 CO 0.20 -0.69 0.65 1.04 -0.33 0.00 0.00 177.00 177.87 2pn1 n GLN 301 N 3.75 0.82 -2.55 5.54 6.02 -0.24 -5.05 117.38 125.67 2pn1 n GLN 301 Ca 0.14 -3.10 -0.41 0.00 -0.01 0.00 0.00 57.00 53.62 2pn1 n GLN 301 Cb 0.36 -1.39 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 2pn1 n GLN 301 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pn1 s ILE 302 N -1.38 4.01 -1.07 5.09 -1.09 -1.24 -3.75 121.20 121.77 2pn1 s ILE 302 Ca 0.36 1.70 0.00 0.00 -2.23 0.00 0.00 60.65 60.48 2pn1 s ILE 302 Cb 0.24 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2pn1 s ILE 302 CO -0.11 0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.49 2pn1 n GLY 303 N 2.16 0.91 2.95 6.18 0.00 -1.26 -4.95 105.19 111.17 2pn1 n GLY 303 Ca 0.03 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 2pn1 n GLY 303 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pn1 n GLN 304 N -2.54 4.54 -3.93 1.61 6.02 -1.25 -4.91 117.38 116.92 2pn1 n GLN 304 Ca -0.11 -4.58 -0.08 0.00 -0.01 0.00 0.00 57.00 52.22 2pn1 n GLN 304 Cb 0.40 -2.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.12 2pn1 n GLN 304 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2pn1 s TYR 305 N -2.97 0.12 -0.01 1.08 -0.85 -1.26 -4.90 117.35 108.57 2pn1 s TYR 305 Ca 0.32 -0.52 -0.15 0.00 -0.52 0.00 0.00 57.07 56.20 2pn1 s TYR 305 Cb 0.07 0.40 -0.06 0.00 0.38 0.00 0.00 41.96 42.75 2pn1 s TYR 305 CO 0.08 -1.08 0.43 -0.51 -1.52 0.00 0.00 175.55 172.94 2pn1 s LEU 306 N -2.97 4.46 0.80 -3.49 1.43 -1.26 -5.02 118.68 112.62 2pn1 s LEU 306 Ca 0.17 0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 54.16 2pn1 s LEU 306 Cb -0.03 -2.62 0.13 0.00 0.03 0.00 0.00 46.19 43.71 2pn1 s LEU 306 CO 0.07 0.28 1.11 1.51 0.23 0.00 0.00 176.35 179.56 2pn1 s ASP 307 N -0.88 4.07 -1.60 2.29 -4.77 -1.26 -4.45 116.67 110.07 2pn1 s ASP 307 Ca 0.24 0.09 -0.02 0.00 -3.30 0.00 0.00 52.55 49.56 2pn1 s ASP 307 Cb -0.17 -0.44 0.00 0.00 -1.09 0.00 0.00 42.92 41.23 2pn1 s ASP 307 CO 0.13 -2.08 0.30 -0.67 0.70 0.00 0.00 175.17 173.56 2pn1 n ASP 308 N -3.17 -5.85 -4.39 2.11 2.03 0.09 -4.94 116.55 102.43 2pn1 n ASP 308 Ca 0.13 -0.15 -0.35 0.00 0.52 0.00 0.00 54.79 54.94 2pn1 n ASP 308 Cb 0.60 -4.77 -0.13 0.00 -0.72 0.00 0.00 41.12 36.10 2pn1 n ASP 308 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2pn1 s ILE 309 N -3.08 3.65 0.00 5.18 -1.09 -1.26 -4.90 121.20 119.70 2pn1 s ILE 309 Ca 0.15 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2pn1 s ILE 309 Cb -0.07 -2.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.17 2pn1 s ILE 309 CO 0.18 0.44 0.00 -1.22 -1.23 0.00 0.00 174.94 173.11 2pn1 n TYR 310 N 4.38 -0.07 0.00 3.97 4.02 -1.26 -0.66 117.16 127.54 2pn1 n TYR 310 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2pn1 n TYR 310 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 2pn1 n TYR 310 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2pn1 n LEU 312 N 0.00 0.00 -4.81 7.72 4.77 -1.26 -4.97 117.00 118.45 2pn1 n LEU 312 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2pn1 n LEU 312 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2pn1 n LEU 312 CO 0.00 0.00 0.70 -0.54 -1.33 0.00 0.00 177.39 176.22 2pn1 s LYS 313 N 0.00 3.64 -0.05 3.23 1.02 -0.45 -5.05 119.74 122.09 2pn1 s LYS 313 Ca 0.00 1.17 -0.27 0.00 0.02 0.00 0.00 55.97 56.89 2pn1 s LYS 313 Cb 0.00 -2.08 0.06 0.00 -0.52 0.00 0.00 37.83 35.29 2pn1 s LYS 313 CO 0.00 -0.54 0.59 -3.38 -0.92 0.00 0.00 175.35 171.09 2pn1 s HIS 314 N -2.38 -0.54 0.15 3.18 -3.43 -1.26 -4.99 115.29 106.02 2pn1 s HIS 314 Ca 0.63 0.94 -0.30 0.00 -0.80 0.00 0.00 55.06 55.53 2pn1 s HIS 314 Cb -0.14 0.32 -0.07 0.00 -1.43 0.00 0.00 32.58 31.27 2pn1 s HIS 314 CO 0.30 -0.54 1.01 -0.51 -2.00 0.00 0.00 174.74 173.00 2pn1 s ASP 315 N -1.15 7.42 0.28 7.38 1.01 -1.26 -5.05 116.67 125.30 2pn1 s ASP 315 Ca -0.11 1.93 0.01 0.00 0.71 0.00 0.00 52.55 55.08 2pn1 s ASP 315 Cb -0.01 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.32 2pn1 s ASP 315 CO 0.08 -0.10 0.05 1.07 0.21 0.00 0.00 175.17 176.48 2pn1 n THR 316 N 2.48 0.00 -3.96 -1.27 5.66 -1.26 -5.17 114.28 110.76 2pn1 n THR 316 Ca 0.02 -1.28 -0.09 0.00 -3.05 0.00 0.00 64.05 59.65 2pn1 n THR 316 Cb 0.48 0.15 -0.11 0.00 -1.55 0.00 0.00 70.33 69.30 2pn1 n THR 316 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2pn1 s VAL 317 N -1.88 0.11 -0.10 1.08 0.11 -1.26 -5.13 120.40 113.33 2pn1 s VAL 317 Ca 0.04 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 2pn1 s VAL 317 Cb -0.00 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2pn1 s VAL 317 CO 0.02 -0.50 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.27 2pn1 s THR 318 N -1.58 1.38 -0.13 5.04 2.01 -1.26 -5.14 115.64 115.96 2pn1 s THR 318 Ca -0.14 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.22 2pn1 s THR 318 Cb -0.08 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2pn1 s THR 318 CO -0.01 0.42 0.07 -0.76 -0.69 0.00 0.00 174.62 173.65 2pn1 s LEU 319 N 0.96 3.94 -0.06 4.42 1.02 -1.26 -5.10 118.68 122.60 2pn1 s LEU 319 Ca -0.08 0.23 -0.02 0.00 0.02 0.00 0.00 54.13 54.27 2pn1 s LEU 319 Cb -0.15 -1.96 0.04 0.00 0.02 0.00 0.00 46.19 44.14 2pn1 s LEU 319 CO -0.01 0.31 0.12 -0.51 0.02 0.00 0.00 176.35 176.28 2pn1 s ILE 320 N -0.44 -0.05 0.67 -0.59 2.07 -1.26 -5.16 121.20 116.45 2pn1 s ILE 320 Ca 0.10 0.18 -0.12 0.00 -1.41 0.00 0.00 60.65 59.40 2pn1 s ILE 320 Cb -0.12 -0.21 -0.00 0.00 0.13 0.00 0.00 42.46 42.26 2pn1 s ILE 320 CO 0.02 0.07 1.06 -0.94 -1.91 0.00 0.00 174.94 173.24 2pn1 s SER 321 N 1.08 5.51 0.32 4.50 1.04 -1.26 -4.87 113.70 120.03 2pn1 s SER 321 Ca -0.09 1.65 0.01 0.00 0.48 0.00 0.00 55.95 58.00 2pn1 s SER 321 Cb -0.11 -2.50 0.55 0.00 0.10 0.00 0.00 66.02 64.05 2pn1 s SER 321 CO -0.05 -1.35 1.93 0.00 0.98 0.00 0.00 173.24 174.74 2pn1 h ALA 322 N -0.45 1.40 -0.19 5.32 0.00 -2.01 0.48 119.26 123.82 2pn1 h ALA 322 Ca -0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2pn1 h ALA 322 Cb 1.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2pn1 h ALA 322 CO 0.57 0.47 0.06 0.00 0.00 0.00 0.00 179.25 180.34 2pn1 h ALA 323 N 1.50 0.25 -0.40 0.00 0.00 -1.98 0.40 119.26 119.02 2pn1 h ALA 323 Ca 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2pn1 h ALA 323 Cb 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2pn1 h ALA 323 CO -0.03 -0.13 0.01 0.93 0.00 0.00 0.00 179.25 180.04 2pn1 h GLU 324 N 0.12 0.64 -0.52 0.00 4.39 -1.86 -2.44 114.58 114.91 2pn1 h GLU 324 Ca 0.06 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2pn1 h GLU 324 Cb 0.24 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2pn1 h GLU 324 CO -0.00 0.65 0.17 -0.07 -1.16 0.00 0.00 179.01 178.59 2pn1 h LEU 325 N 0.61 0.75 -0.47 1.33 3.38 -0.72 -2.95 115.31 117.24 2pn1 h LEU 325 Ca 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2pn1 h LEU 325 Cb 0.36 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2pn1 h LEU 325 CO 0.01 0.75 0.00 1.67 0.09 0.00 0.00 178.44 180.96 2pn1 n GLN 326 N -4.49 0.08 0.00 1.13 -0.06 0.11 -3.25 117.38 110.90 2pn1 n GLN 326 Ca 0.02 0.44 0.07 0.00 -2.00 0.00 0.00 57.00 55.52 2pn1 n GLN 326 Cb 0.19 -1.69 0.35 0.00 -4.06 0.00 0.00 30.24 25.03 2pn1 n GLN 326 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2pn1 n LYS 327 N -1.84 0.16 0.00 3.69 5.02 -1.04 -4.56 118.16 119.60 2pn1 n LYS 327 Ca 0.01 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2pn1 n LYS 327 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2pn1 n LYS 327 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2pn1 n ILE 328 N -1.33 0.00 -2.84 -0.18 -5.35 -1.20 -4.99 119.36 103.47 2pn1 n ILE 328 Ca 0.06 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.36 2pn1 n ILE 328 Cb 0.12 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 2pn1 n ILE 328 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2pn1 n LYS 329 N 0.00 -2.98 -0.57 6.28 5.02 -1.26 -5.06 118.16 119.60 2pn1 n LYS 329 Ca 0.00 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 2pn1 n LYS 329 Cb 0.00 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 29.72 2pn1 n LYS 329 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42