#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n63 s ILE 2 N 0.00 5.12 0.80 1.12 -1.09 -1.17 -4.68 121.20 121.31 1n63 s ILE 2 Ca 0.00 -0.18 -0.11 0.00 -2.23 0.00 0.00 60.65 58.14 1n63 s ILE 2 Cb 0.00 -3.58 0.08 0.00 -1.58 0.00 0.00 42.46 37.38 1n63 s ILE 2 CO 0.00 0.07 1.10 -2.16 -1.23 0.00 0.00 174.94 172.72 1n63 s PRO 3 N 1.70 1.99 0.59 2.79 0.05 -1.25 -4.74 135.00 136.14 1n63 s PRO 3 Ca 0.06 1.19 -0.16 0.00 0.05 0.00 0.00 61.00 62.14 1n63 s PRO 3 Cb -0.17 -1.87 -0.04 0.00 0.05 0.00 0.00 34.50 32.48 1n63 s PRO 3 CO 0.10 -1.84 1.06 0.20 0.05 0.00 0.00 177.00 176.57 1n63 s GLY 4 N -3.30 2.15 0.64 0.56 0.00 -1.26 -5.00 107.32 101.11 1n63 s GLY 4 Ca 0.62 0.42 -0.18 0.00 0.00 0.00 0.00 44.72 45.58 1n63 s GLY 4 CO 0.56 0.74 1.30 -0.56 0.00 0.00 0.00 173.10 175.14 1n63 s SER 5 N -2.73 4.65 0.19 1.64 0.01 -1.26 -4.98 113.70 111.22 1n63 s SER 5 Ca 0.64 2.63 -0.16 0.00 1.31 0.00 0.00 55.95 60.37 1n63 s SER 5 Cb -0.16 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.47 1n63 s SER 5 CO 0.37 -1.98 0.48 0.72 0.41 0.00 0.00 173.24 173.24 1n63 s PHE 6 N -1.39 -0.01 0.10 2.43 -0.12 -1.26 -4.71 117.98 113.02 1n63 s PHE 6 Ca 0.82 -0.34 -0.06 0.00 -0.05 0.00 0.00 56.93 57.30 1n63 s PHE 6 Cb -0.38 0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 42.27 1n63 s PHE 6 CO 0.40 -0.89 0.35 -0.51 -0.05 0.00 0.00 175.22 174.52 1n63 s ASP 7 N -2.90 6.52 -0.04 1.98 1.01 0.20 -4.96 116.67 118.48 1n63 s ASP 7 Ca 0.11 0.62 0.06 0.00 0.71 0.00 0.00 52.55 54.05 1n63 s ASP 7 Cb -0.00 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 1n63 s ASP 7 CO -0.02 0.13 -0.23 -0.47 0.21 0.00 0.00 175.17 174.79 1n63 s TYR 8 N -1.51 2.44 0.02 4.23 5.04 -1.26 -1.08 117.35 125.22 1n63 s TYR 8 Ca 0.36 -0.48 0.03 0.00 -2.44 0.00 0.00 57.07 54.54 1n63 s TYR 8 Cb -0.13 -1.56 -0.01 0.00 0.35 0.00 0.00 41.96 40.61 1n63 s TYR 8 CO 0.21 -0.06 -0.10 -1.01 -1.34 0.00 0.00 175.55 173.26 1n63 s HIS 9 N -0.48 0.86 -0.60 4.97 3.76 -0.37 -4.98 115.29 118.45 1n63 s HIS 9 Ca 0.06 -0.26 0.05 0.00 -0.15 0.00 0.00 55.06 54.75 1n63 s HIS 9 Cb -0.11 -0.53 0.17 0.00 1.11 0.00 0.00 32.58 33.22 1n63 s HIS 9 CO 0.01 -0.01 0.45 0.54 -0.85 0.00 0.00 174.74 174.87 1n63 n ARG 10 N 2.35 1.25 -1.92 1.40 1.74 -1.26 -0.52 116.66 119.70 1n63 n ARG 10 Ca -0.16 -4.01 -0.37 0.00 -0.77 0.00 0.00 57.85 52.54 1n63 n ARG 10 Cb 0.56 -2.05 0.04 0.00 -1.02 0.00 0.00 32.46 29.99 1n63 n ARG 10 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1n63 s PRO 11 N -0.95 2.91 0.02 5.56 0.04 -1.25 -4.94 135.00 136.39 1n63 s PRO 11 Ca 0.28 1.95 0.23 0.00 0.04 0.00 0.00 61.00 63.50 1n63 s PRO 11 Cb -0.00 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.67 1n63 s PRO 11 CO -0.18 -1.29 1.10 1.63 0.04 0.00 0.00 177.00 178.30 1n63 n LYS 12 N -1.55 0.14 -3.96 4.56 5.02 -1.26 -4.36 118.16 116.75 1n63 n LYS 12 Ca 0.14 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 1n63 n LYS 12 Cb 0.48 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.87 1n63 n LYS 12 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1n63 s SER 13 N -3.44 0.16 0.14 4.39 1.04 -1.26 -4.58 113.70 110.15 1n63 s SER 13 Ca 0.07 -0.84 -0.19 0.00 0.48 0.00 0.00 55.95 55.46 1n63 s SER 13 Cb 0.16 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1n63 s SER 13 CO 0.79 -0.77 1.69 0.40 0.98 0.00 0.00 173.24 176.33 1n63 h ILE 14 N 2.74 0.72 -0.88 -1.02 2.04 -1.96 -1.36 117.51 117.78 1n63 h ILE 14 Ca -0.33 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1n63 h ILE 14 Cb 1.20 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1n63 h ILE 14 CO 0.55 0.00 0.58 0.00 0.00 0.00 0.00 178.15 179.28 1n63 h ALA 15 N 1.27 1.50 -0.23 1.87 0.00 -1.99 0.01 119.26 121.69 1n63 h ALA 15 Ca 0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1n63 h ALA 15 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1n63 h ALA 15 CO -0.29 0.39 -0.43 -0.44 0.00 0.00 0.00 179.25 178.48 1n63 h ASP 16 N 1.04 0.59 -0.16 0.00 5.19 -1.88 -0.63 116.42 120.57 1n63 h ASP 16 Ca 0.37 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1n63 h ASP 16 Cb 0.13 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1n63 h ASP 16 CO -0.13 0.95 0.02 0.00 -3.12 0.00 0.00 179.24 176.96 1n63 h ALA 17 N 1.08 0.21 -0.51 3.45 0.00 -0.61 -1.43 119.26 121.45 1n63 h ALA 17 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1n63 h ALA 17 Cb 0.94 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1n63 h ALA 17 CO 0.08 -0.12 0.30 0.28 0.00 0.00 0.00 179.25 179.80 1n63 h VAL 18 N 0.04 1.05 -0.92 0.00 2.07 -0.84 -0.10 116.25 117.55 1n63 h VAL 18 Ca 0.05 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1n63 h VAL 18 Cb 0.33 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1n63 h VAL 18 CO 0.00 0.11 0.60 0.00 0.02 0.00 0.00 177.57 178.30 1n63 h ALA 19 N 1.23 1.47 -0.21 1.67 0.00 -0.96 -0.35 119.26 122.11 1n63 h ALA 19 Ca 0.21 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1n63 h ALA 19 Cb 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1n63 h ALA 19 CO -0.09 0.41 -0.36 1.25 0.00 0.00 0.00 179.25 180.46 1n63 h LEU 20 N 1.08 0.67 -1.24 0.00 5.85 -0.71 0.43 115.31 121.40 1n63 h LEU 20 Ca 0.38 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 1n63 h LEU 20 Cb 0.13 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1n63 h LEU 20 CO -0.13 1.08 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.62 1n63 h LEU 21 N 0.29 0.05 -0.13 2.25 3.38 -0.79 -0.59 115.31 119.77 1n63 h LEU 21 Ca 0.01 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1n63 h LEU 21 Cb 0.95 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1n63 h LEU 21 CO 0.08 0.40 -0.32 0.74 0.09 0.00 0.00 178.44 179.43 1n63 h THR 22 N 0.04 1.37 -0.27 0.22 2.02 -0.64 -2.85 112.91 112.81 1n63 h THR 22 Ca 0.00 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.57 1n63 h THR 22 Cb 0.64 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1n63 h THR 22 CO 0.05 0.48 0.18 0.50 0.37 0.00 0.00 175.52 177.09 1n63 h LYS 23 N 0.03 0.35 0.00 6.66 3.64 -0.66 -3.23 116.57 123.36 1n63 h LYS 23 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1n63 h LYS 23 Cb 0.93 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1n63 h LYS 23 CO 0.07 0.23 -0.45 1.28 -2.27 0.00 0.00 179.45 178.31 1n63 n LEU 24 N -4.91 0.49 0.00 5.20 4.77 -0.25 -5.03 117.00 117.27 1n63 n LEU 24 Ca -0.02 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1n63 n LEU 24 Cb 0.03 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1n63 n LEU 24 CO 0.34 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1n63 n GLY 25 N 1.45 0.85 0.01 -0.72 0.00 -1.08 -3.88 105.19 101.82 1n63 n GLY 25 Ca 0.05 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.42 1n63 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n63 n GLU 26 N 0.00 0.03 0.06 1.61 -0.58 -1.26 -1.09 120.64 119.40 1n63 n GLU 26 Ca 0.00 0.16 0.08 0.00 -0.42 0.00 0.00 57.16 56.98 1n63 n GLU 26 Cb 0.00 -1.54 0.36 0.00 -0.57 0.00 0.00 31.44 29.69 1n63 n GLU 26 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1n63 n ASP 27 N -1.58 0.28 -4.50 1.62 8.00 -1.25 -4.55 116.55 114.55 1n63 n ASP 27 Ca 0.05 0.58 -0.34 0.00 0.71 0.00 0.00 54.79 55.79 1n63 n ASP 27 Cb 0.26 -0.63 -0.12 0.00 -0.02 0.00 0.00 41.12 40.60 1n63 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n63 s ALA 28 N -3.15 3.00 0.02 2.24 0.00 -0.25 -0.06 121.76 123.56 1n63 s ALA 28 Ca 0.04 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.26 1n63 s ALA 28 Cb 0.08 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 1n63 s ALA 28 CO 0.27 0.24 -0.22 1.03 0.00 0.00 0.00 175.76 177.08 1n63 s ARG 29 N 0.30 2.03 0.31 0.00 0.52 -0.65 -4.89 118.95 116.57 1n63 s ARG 29 Ca -0.03 -0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 1n63 s ARG 29 Cb -0.14 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.11 1n63 s ARG 29 CO 0.03 0.54 1.32 -2.14 0.02 0.00 0.00 175.30 175.07 1n63 s PRO 30 N -1.17 4.35 -0.25 3.54 0.02 -1.26 -0.87 135.00 139.37 1n63 s PRO 30 Ca 0.13 2.21 -0.04 0.00 0.02 0.00 0.00 61.00 63.32 1n63 s PRO 30 Cb -0.10 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1n63 s PRO 30 CO 0.03 -0.21 -0.02 -1.17 -0.33 0.00 0.00 177.00 175.30 1n63 s LEU 31 N -1.52 3.21 0.00 -5.54 2.96 0.14 -4.81 118.68 113.13 1n63 s LEU 31 Ca 0.51 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 1n63 s LEU 31 Cb -0.40 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.54 1n63 s LEU 31 CO 0.51 -0.09 0.00 0.00 -1.32 0.00 0.00 176.35 175.45 1n63 n ALA 32 N 4.78 0.00 0.51 5.97 0.00 -1.26 -1.60 120.51 128.90 1n63 n ALA 32 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1n63 n ALA 32 Cb 0.49 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.40 1n63 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n63 n GLY 33 N 5.00 -1.48 2.71 0.00 0.00 -1.25 -4.85 105.19 105.32 1n63 n GLY 33 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1n63 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n63 n GLY 34 N 0.61 0.39 0.64 -0.02 0.00 -1.26 -4.58 105.19 100.97 1n63 n GLY 34 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1n63 n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n63 n HIS 35 N -2.41 0.24 -0.02 1.61 8.25 -1.26 -1.04 115.22 120.59 1n63 n HIS 35 Ca 0.00 -0.12 -0.03 0.00 -0.26 0.00 0.00 57.72 57.31 1n63 n HIS 35 Cb 0.14 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1n63 n HIS 35 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1n63 n SER 36 N 0.49 3.78 -0.03 0.41 7.64 -1.26 -4.71 113.62 119.94 1n63 n SER 36 Ca 0.17 -0.01 -0.14 0.00 1.01 0.00 0.00 58.87 59.90 1n63 n SER 36 Cb 0.37 0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.73 1n63 n SER 36 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1n63 h LEU 37 N 0.00 0.15 -0.96 -3.43 5.85 -1.96 -2.99 115.31 111.97 1n63 h LEU 37 Ca -0.12 -0.58 -0.05 0.00 0.84 0.00 0.00 57.88 57.98 1n63 h LEU 37 Cb 1.22 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1n63 h LEU 37 CO -0.01 0.70 0.21 0.40 -0.34 0.00 0.00 178.44 179.40 1n63 h ILE 38 N -0.39 1.24 -0.94 4.05 2.04 -1.41 -1.33 117.51 120.76 1n63 h ILE 38 Ca 0.00 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1n63 h ILE 38 Cb 0.68 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1n63 h ILE 38 CO 0.02 0.31 0.62 -0.65 0.00 0.00 0.00 178.15 178.45 1n63 h PRO 39 N 0.93 1.23 0.00 2.37 0.11 -1.72 -0.02 132.00 134.90 1n63 h PRO 39 Ca 0.21 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1n63 h PRO 39 Cb 0.25 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1n63 h PRO 39 CO -0.01 0.81 0.00 -0.84 -0.21 0.00 0.00 178.00 177.75 1n63 h ILE 40 N 1.26 0.00 -0.11 4.15 3.07 -1.35 -2.73 117.51 121.80 1n63 h ILE 40 Ca 0.35 -0.72 -0.20 0.00 1.55 0.00 0.00 64.86 65.84 1n63 h ILE 40 Cb -0.13 1.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.12 1n63 h ILE 40 CO -0.08 0.00 -0.75 0.24 -1.05 0.00 0.00 178.15 176.51 1n63 h MET 41 N 0.00 0.58 -0.26 0.16 2.86 -0.27 -1.45 114.93 116.55 1n63 h MET 41 Ca 0.00 -0.48 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 1n63 h MET 41 Cb 0.84 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1n63 h MET 41 CO 0.00 1.10 0.02 0.87 1.06 0.00 0.00 176.91 179.96 1n63 h LYS 42 N 0.40 0.38 -0.09 1.72 1.57 -0.75 -0.54 116.57 119.25 1n63 h LYS 42 Ca -0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1n63 h LYS 42 Cb 1.35 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1n63 h LYS 42 CO 0.14 0.39 0.00 0.25 -0.57 0.00 0.00 179.45 179.66 1n63 n THR 43 N -4.35 0.11 -2.03 -0.16 -2.24 -1.06 -0.47 114.28 104.09 1n63 n THR 43 Ca 0.01 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 1n63 n THR 43 Cb 0.19 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1n63 n THR 43 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n63 n ARG 44 N 0.13 -1.62 -0.17 -0.78 5.12 -0.21 -4.85 116.66 114.28 1n63 n ARG 44 Ca 0.17 1.03 -0.11 0.00 -1.93 0.00 0.00 57.85 57.02 1n63 n ARG 44 Cb 0.31 -5.55 0.00 0.00 -1.16 0.00 0.00 32.46 26.06 1n63 n ARG 44 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1n63 h LEU 45 N 0.00 0.98 -8.96 0.55 4.07 -1.54 -3.40 115.31 107.01 1n63 h LEU 45 Ca -0.43 -0.36 -0.65 0.00 0.08 0.00 0.00 57.88 56.52 1n63 h LEU 45 Cb 1.30 -0.27 -0.20 0.00 1.08 0.00 0.00 40.66 42.58 1n63 h LEU 45 CO 0.56 1.11 -0.67 0.00 -1.08 0.00 0.00 178.44 178.36 1n63 s ALA 46 N -4.82 3.03 -0.45 1.53 0.00 -0.74 -5.01 121.76 115.31 1n63 s ALA 46 Ca -0.12 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.10 1n63 s ALA 46 Cb 0.12 -1.48 0.32 0.00 0.00 0.00 0.00 23.12 22.09 1n63 s ALA 46 CO 0.85 0.34 0.75 0.25 0.00 0.00 0.00 175.76 177.96 1n63 n THR 47 N 3.07 0.77 -2.01 0.00 -2.24 -1.26 -4.24 114.28 108.38 1n63 n THR 47 Ca -0.18 -4.80 -0.38 0.00 -2.27 0.00 0.00 64.05 56.42 1n63 n THR 47 Cb 0.53 -0.96 0.02 0.00 -2.10 0.00 0.00 70.33 67.82 1n63 n THR 47 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1n63 s PRO 48 N -2.50 3.47 0.20 -0.78 0.04 -1.26 -4.93 135.00 129.23 1n63 s PRO 48 Ca 0.41 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.72 1n63 s PRO 48 Cb 0.29 -2.36 0.21 0.00 0.04 0.00 0.00 34.50 32.68 1n63 s PRO 48 CO -0.09 -0.87 1.25 0.93 0.04 0.00 0.00 177.00 178.26 1n63 h GLU 49 N 1.80 0.00 -3.79 4.56 4.39 -0.75 -3.42 114.58 117.37 1n63 h GLU 49 Ca -0.50 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 58.95 1n63 h GLU 49 Cb 1.27 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.64 1n63 h GLU 49 CO 0.59 0.00 -0.73 -1.01 -1.16 0.00 0.00 179.01 176.70 1n63 s HIS 50 N -3.26 0.06 -0.16 4.33 3.76 -0.08 -0.63 115.29 119.32 1n63 s HIS 50 Ca 0.04 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1n63 s HIS 50 Cb 0.11 -0.05 -0.01 0.00 1.11 0.00 0.00 32.58 33.73 1n63 s HIS 50 CO 0.74 -0.01 -0.11 -0.51 -0.85 0.00 0.00 174.74 174.00 1n63 s LEU 51 N 0.06 2.71 -0.67 0.89 1.43 -0.24 -1.64 118.68 121.21 1n63 s LEU 51 Ca -0.00 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 1n63 s LEU 51 Cb -0.01 -1.63 0.18 0.00 0.03 0.00 0.00 46.19 44.75 1n63 s LEU 51 CO -0.00 0.09 0.57 -0.69 0.23 0.00 0.00 176.35 176.55 1n63 s VAL 52 N 0.77 4.79 0.02 -1.59 1.01 -0.04 -1.24 120.40 124.12 1n63 s VAL 52 Ca -0.04 -2.37 -0.30 0.00 0.00 0.00 0.00 61.98 59.26 1n63 s VAL 52 Cb -0.15 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1n63 s VAL 52 CO 0.01 -0.92 1.14 -0.62 0.00 0.00 0.00 175.10 174.71 1n63 s ASP 53 N 2.02 7.15 0.00 3.32 -1.08 0.32 -0.68 116.67 127.72 1n63 s ASP 53 Ca 0.14 1.89 0.22 0.00 -0.52 0.00 0.00 52.55 54.28 1n63 s ASP 53 Cb -0.18 -2.57 0.77 0.00 -1.46 0.00 0.00 42.92 39.48 1n63 s ASP 53 CO -0.05 -0.44 1.57 0.18 0.52 0.00 0.00 175.17 176.95 1n63 n LEU 54 N 4.15 1.75 0.26 -1.34 4.77 -0.63 -3.93 117.00 122.03 1n63 n LEU 54 Ca 0.09 -0.71 0.12 0.00 -0.03 0.00 0.00 56.01 55.47 1n63 n LEU 54 Cb 0.47 -0.09 0.73 0.00 -2.33 0.00 0.00 43.42 42.20 1n63 n LEU 54 CO 0.55 0.35 0.99 0.08 -1.33 0.00 0.00 177.39 178.03 1n63 h ARG 55 N 2.39 0.00 -0.08 3.23 0.11 -1.89 -2.32 114.38 115.82 1n63 h ARG 55 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1n63 h ARG 55 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1n63 h ARG 55 CO 0.00 0.10 0.00 -0.25 0.10 0.00 0.00 179.97 179.92 1n63 n ASP 56 N -3.82 1.29 -4.37 0.08 8.00 -1.26 -4.68 116.55 111.79 1n63 n ASP 56 Ca -0.02 -1.54 -0.46 0.00 0.71 0.00 0.00 54.79 53.49 1n63 n ASP 56 Cb 0.20 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1n63 n ASP 56 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n63 s ILE 57 N -1.91 5.21 0.45 0.53 1.01 -0.87 -4.81 121.20 120.80 1n63 s ILE 57 Ca 0.35 -1.91 0.17 0.00 0.00 0.00 0.00 60.65 59.26 1n63 s ILE 57 Cb 0.19 -4.55 0.21 0.00 0.01 0.00 0.00 42.46 38.31 1n63 s ILE 57 CO 0.30 -1.17 2.01 1.23 0.00 0.00 0.00 174.94 177.31 1n63 h GLY 58 N 8.95 0.00 1.50 6.18 0.00 -1.86 -1.89 103.07 115.95 1n63 h GLY 58 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1n63 h GLY 58 CO 0.93 0.00 0.22 -0.55 0.00 0.00 0.00 176.54 177.13 1n63 h ASP 59 N 0.00 0.00 0.53 0.19 3.32 -1.95 -2.38 116.42 116.12 1n63 h ASP 59 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n63 h ASP 59 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1n63 h ASP 59 CO 0.02 0.00 -0.25 0.18 -1.72 0.00 0.00 179.24 177.47 1n63 n LEU 60 N -3.47 0.46 -4.47 1.55 4.77 -0.71 -4.76 117.00 110.37 1n63 n LEU 60 Ca 0.00 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.70 1n63 n LEU 60 Cb 0.32 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 1n63 n LEU 60 CO 0.23 0.10 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.39 1n63 s VAL 61 N -2.78 4.12 0.00 4.08 1.01 -0.90 -0.38 120.40 125.55 1n63 s VAL 61 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1n63 s VAL 61 Cb 0.19 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1n63 s VAL 61 CO 0.58 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.70 1n63 n GLY 62 N 4.27 2.62 2.93 4.51 0.00 -1.26 -4.83 105.19 113.43 1n63 n GLY 62 Ca -0.17 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1n63 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n63 s ILE 63 N -2.00 1.37 -0.03 -0.61 1.01 -1.26 -0.40 121.20 119.29 1n63 s ILE 63 Ca 0.00 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.76 1n63 s ILE 63 Cb 0.00 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1n63 s ILE 63 CO 0.00 0.04 -0.18 -0.60 0.00 0.00 0.00 174.94 174.20 1n63 s ARG 64 N 1.50 1.63 -0.21 2.79 3.52 0.13 -4.98 118.95 123.33 1n63 s ARG 64 Ca -0.02 -0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 54.73 1n63 s ARG 64 Cb -0.17 -1.50 -0.03 0.00 -1.56 0.00 0.00 34.95 31.69 1n63 s ARG 64 CO -0.07 0.34 0.61 -2.00 -0.81 0.00 0.00 175.30 173.36 1n63 s GLU 65 N -0.24 4.19 -0.16 5.12 2.12 -1.26 -0.30 118.70 128.17 1n63 s GLU 65 Ca 0.03 0.57 -0.05 0.00 0.36 0.00 0.00 54.97 55.88 1n63 s GLU 65 Cb -0.09 -3.59 0.08 0.00 0.26 0.00 0.00 34.13 30.79 1n63 s GLU 65 CO 0.01 -0.25 0.29 -2.00 -0.54 0.00 0.00 175.26 172.76 1n63 s GLU 66 N 1.95 0.20 7.12 4.30 2.12 -0.61 -4.96 118.70 128.82 1n63 s GLU 66 Ca 0.27 0.68 0.00 0.00 0.36 0.00 0.00 54.97 56.28 1n63 s GLU 66 Cb -0.16 -0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.02 1n63 s GLU 66 CO 0.10 -0.38 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 1n63 n GLY 67 N 5.35 3.14 0.98 -1.50 0.00 -1.26 -1.41 105.19 110.49 1n63 n GLY 67 Ca -0.06 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.79 1n63 n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n63 n THR 68 N 0.00 0.82 -4.14 2.61 -2.24 -1.26 -4.94 114.28 105.13 1n63 n THR 68 Ca 0.00 -0.69 -0.23 0.00 -2.27 0.00 0.00 64.05 60.86 1n63 n THR 68 Cb 0.00 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 1n63 n THR 68 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n63 s ASP 69 N -0.93 4.78 -0.14 3.42 1.01 -0.50 -1.61 116.67 122.69 1n63 s ASP 69 Ca 0.33 -0.65 -0.04 0.00 0.71 0.00 0.00 52.55 52.89 1n63 s ASP 69 Cb 0.19 -0.86 -0.03 0.00 1.01 0.00 0.00 42.92 43.22 1n63 s ASP 69 CO 0.20 -0.18 0.01 -0.69 0.21 0.00 0.00 175.17 174.73 1n63 s VAL 70 N -2.35 4.34 -0.20 -1.27 1.01 0.12 -1.58 120.40 120.48 1n63 s VAL 70 Ca 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1n63 s VAL 70 Cb -0.05 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1n63 s VAL 70 CO 0.22 0.52 -0.06 -0.69 0.00 0.00 0.00 175.10 175.09 1n63 s VAL 71 N -0.05 3.31 -0.21 2.92 1.01 0.59 -0.69 120.40 127.28 1n63 s VAL 71 Ca 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 1n63 s VAL 71 Cb -0.13 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1n63 s VAL 71 CO 0.02 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 174.82 1n63 s ILE 72 N 1.17 2.68 0.55 2.22 1.01 0.02 -0.69 121.20 128.16 1n63 s ILE 72 Ca 0.02 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.64 1n63 s ILE 72 Cb -0.14 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1n63 s ILE 72 CO -0.02 0.42 1.37 -0.83 0.00 0.00 0.00 174.94 175.88 1n63 s GLY 73 N 1.36 2.89 0.54 6.18 0.00 0.47 -0.86 107.32 117.90 1n63 s GLY 73 Ca 0.04 1.35 0.26 0.00 0.00 0.00 0.00 44.72 46.38 1n63 s GLY 73 CO -0.08 1.87 2.13 0.00 0.00 0.00 0.00 173.10 177.03 1n63 h ALA 74 N 1.41 1.44 -0.50 3.20 0.00 -0.65 -1.92 119.26 122.24 1n63 h ALA 74 Ca -0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1n63 h ALA 74 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1n63 h ALA 74 CO 0.57 0.10 0.00 -1.33 0.00 0.00 0.00 179.25 178.59 1n63 n MET 75 N -3.81 2.19 -2.21 0.00 2.81 0.48 -0.50 117.12 116.08 1n63 n MET 75 Ca -0.02 -1.82 -0.42 0.00 -1.81 0.00 0.00 57.70 53.63 1n63 n MET 75 Cb 0.18 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 1n63 n MET 75 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1n63 s THR 76 N -1.34 3.50 0.48 2.03 2.01 -0.72 -4.79 115.64 116.81 1n63 s THR 76 Ca 0.34 1.03 -0.13 0.00 0.31 0.00 0.00 61.69 63.23 1n63 s THR 76 Cb 0.18 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.96 1n63 s THR 76 CO 0.23 0.05 0.91 0.42 -0.69 0.00 0.00 174.62 175.53 1n63 s THR 77 N 1.54 4.65 0.25 -0.82 -4.23 -1.26 -0.87 115.64 114.89 1n63 s THR 77 Ca 0.64 0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 62.05 1n63 s THR 77 Cb -0.34 -3.74 0.22 0.00 1.34 0.00 0.00 72.50 69.97 1n63 s THR 77 CO 0.29 -0.68 1.75 1.56 -0.54 0.00 0.00 174.62 177.01 1n63 h GLN 78 N 0.90 0.53 -0.60 3.99 1.08 -1.19 -1.26 115.11 118.57 1n63 h GLN 78 Ca -0.47 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 56.77 1n63 h GLN 78 Cb 1.19 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 28.44 1n63 h GLN 78 CO 0.62 0.35 0.28 1.25 -0.95 0.00 0.00 178.83 180.39 1n63 h HIS 79 N 0.55 0.51 -0.84 2.96 2.76 -1.42 -1.10 115.15 118.57 1n63 h HIS 79 Ca 0.42 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.59 1n63 h HIS 79 Cb 0.58 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 1n63 h HIS 79 CO -0.12 0.21 0.42 0.00 -1.30 0.00 0.00 177.93 177.14 1n63 h ALA 80 N 1.35 1.08 -0.48 5.26 0.00 -1.65 -1.47 119.26 123.36 1n63 h ALA 80 Ca 0.28 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1n63 h ALA 80 Cb 0.24 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1n63 h ALA 80 CO -0.22 0.63 0.27 -0.07 0.00 0.00 0.00 179.25 179.86 1n63 h LEU 81 N 1.19 0.42 -0.72 0.00 3.38 -0.43 -2.43 115.31 116.72 1n63 h LEU 81 Ca 0.29 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1n63 h LEU 81 Cb 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1n63 h LEU 81 CO -0.04 0.30 0.31 0.40 0.09 0.00 0.00 178.44 179.50 1n63 h ILE 82 N 0.54 1.24 0.00 1.22 2.04 -0.95 -2.88 117.51 118.72 1n63 h ILE 82 Ca 0.20 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1n63 h ILE 82 Cb 0.05 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1n63 h ILE 82 CO -0.11 0.30 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1n63 n GLY 83 N -0.91 -1.17 3.60 5.37 0.00 -0.58 -4.81 105.19 106.70 1n63 n GLY 83 Ca 0.06 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1n63 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n63 s SER 84 N -2.51 6.58 0.22 1.61 0.15 -0.94 -4.89 113.70 113.92 1n63 s SER 84 Ca 0.28 0.63 -0.08 0.00 0.70 0.00 0.00 55.95 57.48 1n63 s SER 84 Cb 0.19 -2.55 0.27 0.00 -1.71 0.00 0.00 66.02 62.22 1n63 s SER 84 CO 0.41 -1.26 1.81 0.44 1.20 0.00 0.00 173.24 175.84 1n63 h ASP 85 N 9.51 0.59 -0.15 5.45 3.32 -1.90 -1.04 116.42 132.20 1n63 h ASP 85 Ca -0.24 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1n63 h ASP 85 Cb 1.07 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1n63 h ASP 85 CO 1.11 0.37 0.09 0.15 -1.72 0.00 0.00 179.24 179.24 1n63 h PHE 86 N 0.72 0.20 -0.33 4.55 3.57 -1.97 -1.00 116.94 122.68 1n63 h PHE 86 Ca 0.32 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 1n63 h PHE 86 Cb 0.21 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1n63 h PHE 86 CO -0.07 0.19 0.05 -0.07 -2.23 0.00 0.00 178.31 176.18 1n63 h LEU 87 N 0.15 0.45 -1.38 0.59 3.38 -1.85 -1.63 115.31 115.03 1n63 h LEU 87 Ca 0.05 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1n63 h LEU 87 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1n63 h LEU 87 CO -0.01 0.48 -0.07 0.00 0.09 0.00 0.00 178.44 178.93 1n63 h ALA 88 N 1.58 1.49 -0.03 1.53 0.00 -0.68 0.14 119.26 123.30 1n63 h ALA 88 Ca 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1n63 h ALA 88 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1n63 h ALA 88 CO 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 179.25 179.40 1n63 h ALA 89 N 1.62 0.06 0.00 0.00 0.00 -0.50 -3.34 119.26 117.10 1n63 h ALA 89 Ca 0.07 -0.43 -0.36 0.00 0.00 0.00 0.00 54.91 54.20 1n63 h ALA 89 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1n63 h ALA 89 CO 0.01 0.06 -2.33 1.63 0.00 0.00 0.00 179.25 178.62 1n63 n LYS 90 N -4.54 0.69 -3.16 0.00 5.02 -0.68 -4.68 118.16 110.80 1n63 n LYS 90 Ca -0.09 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 55.98 1n63 n LYS 90 Cb 0.46 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 1n63 n LYS 90 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1n63 n LEU 91 N -2.76 0.06 0.30 -0.35 4.77 0.47 -4.45 117.00 115.04 1n63 n LEU 91 Ca -0.31 -4.64 0.19 0.00 -0.03 0.00 0.00 56.01 51.21 1n63 n LEU 91 Cb 1.14 0.66 0.91 0.00 -2.33 0.00 0.00 43.42 43.80 1n63 n LEU 91 CO 0.43 2.09 1.07 1.55 -1.33 0.00 0.00 177.39 181.20 1n63 h PRO 92 N 3.90 0.00 0.00 3.23 0.13 -1.59 -1.21 132.00 136.46 1n63 h PRO 92 Ca 0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1n63 h PRO 92 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1n63 h PRO 92 CO 0.46 0.02 -0.04 0.97 -0.23 0.00 0.00 178.00 179.17 1n63 h ILE 93 N 0.00 0.25 0.05 -3.56 2.10 -1.92 -2.90 117.51 111.53 1n63 h ILE 93 Ca -0.00 -0.28 -0.00 0.00 1.08 0.00 0.00 64.86 65.66 1n63 h ILE 93 Cb 0.29 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1n63 h ILE 93 CO 0.00 0.04 -0.02 0.40 -1.08 0.00 0.00 178.15 177.49 1n63 h ILE 94 N 0.00 1.24 -0.38 2.19 2.04 -1.54 -1.08 117.51 119.97 1n63 h ILE 94 Ca -0.00 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 64.96 1n63 h ILE 94 Cb 0.21 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 1n63 h ILE 94 CO 0.01 0.24 0.03 -0.09 0.00 0.00 0.00 178.15 178.34 1n63 h ARG 95 N -0.49 0.13 -0.49 2.37 2.43 -1.72 0.78 114.38 117.39 1n63 h ARG 95 Ca -0.01 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1n63 h ARG 95 Cb 0.44 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1n63 h ARG 95 CO 0.01 0.09 0.21 1.49 -1.51 0.00 0.00 179.97 180.26 1n63 h GLU 96 N 0.14 0.41 -0.28 0.20 4.81 -1.38 -1.61 114.58 116.87 1n63 h GLU 96 Ca 0.18 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1n63 h GLU 96 Cb 0.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1n63 h GLU 96 CO -0.28 0.27 0.00 1.15 -0.73 0.00 0.00 179.01 179.42 1n63 h THR 97 N 0.42 1.25 -0.85 0.32 2.02 -0.80 -3.20 112.91 112.08 1n63 h THR 97 Ca 0.23 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1n63 h THR 97 Cb 0.19 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1n63 h THR 97 CO -0.20 0.29 0.52 0.28 0.37 0.00 0.00 175.52 176.79 1n63 h SER 98 N 0.29 1.01 0.36 4.18 0.02 -0.66 0.07 113.55 118.81 1n63 h SER 98 Ca 0.08 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1n63 h SER 98 Cb 0.42 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1n63 h SER 98 CO 0.01 0.76 0.00 0.18 -1.14 0.00 0.00 176.83 176.65 1n63 n LEU 99 N -4.38 0.00 -1.08 5.07 4.77 -0.62 -1.47 117.00 119.29 1n63 n LEU 99 Ca 0.09 0.40 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 1n63 n LEU 99 Cb 0.05 -0.40 0.21 0.00 -2.33 0.00 0.00 43.42 40.95 1n63 n LEU 99 CO 0.37 -0.22 0.68 0.18 -1.33 0.00 0.00 177.39 177.08 1n63 n LEU 100 N -1.40 3.37 -4.68 2.23 4.77 0.00 -4.91 117.00 116.39 1n63 n LEU 100 Ca 0.05 -1.56 -0.36 0.00 -0.03 0.00 0.00 56.01 54.10 1n63 n LEU 100 Cb 0.13 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1n63 n LEU 100 CO 0.11 0.74 -0.13 -0.63 -1.33 0.00 0.00 177.39 176.15 1n63 s ILE 101 N -1.36 5.35 0.00 -0.08 1.01 -0.54 -4.84 121.20 120.74 1n63 s ILE 101 Ca 0.37 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1n63 s ILE 101 Cb 0.21 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1n63 s ILE 101 CO 0.29 0.35 0.00 0.00 0.00 0.00 0.00 174.94 175.59 1n63 n ALA 102 N 4.12 0.00 -3.17 9.38 0.00 -1.26 -4.80 120.51 124.78 1n63 n ALA 102 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1n63 n ALA 102 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1n63 n ALA 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1n63 s ASP 103 N -4.00 0.37 0.15 0.00 1.47 -1.26 -3.23 116.67 110.17 1n63 s ASP 103 Ca 0.00 -1.21 -0.16 0.00 1.18 0.00 0.00 52.55 52.35 1n63 s ASP 103 Cb 0.00 0.67 0.02 0.00 -0.34 0.00 0.00 42.92 43.27 1n63 s ASP 103 CO 0.00 -1.31 1.80 -0.65 0.68 0.00 0.00 175.17 175.69 1n63 h PRO 104 N 2.14 0.47 -0.32 2.11 0.11 -1.99 -0.15 132.00 134.37 1n63 h PRO 104 Ca -0.28 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1n63 h PRO 104 Cb 1.25 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1n63 h PRO 104 CO 0.38 0.31 0.18 1.96 -0.21 0.00 0.00 178.00 180.62 1n63 h GLN 105 N 0.49 0.45 -0.74 1.05 7.50 -1.99 -1.21 115.11 120.65 1n63 h GLN 105 Ca 0.15 -0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.20 1n63 h GLN 105 Cb -0.02 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.39 1n63 h GLN 105 CO -0.06 0.37 0.28 0.82 -1.50 0.00 0.00 178.83 178.74 1n63 h ILE 106 N 0.41 1.25 0.00 2.54 2.04 -1.89 -2.78 117.51 119.08 1n63 h ILE 106 Ca 0.11 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 1n63 h ILE 106 Cb 0.04 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1n63 h ILE 106 CO -0.02 0.33 -0.11 0.03 0.00 0.00 0.00 178.15 178.37 1n63 h ARG 107 N 1.08 0.00 -0.02 2.37 3.08 -0.52 0.34 114.38 120.70 1n63 h ARG 107 Ca 0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 1n63 h ARG 107 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1n63 h ARG 107 CO -0.02 0.11 -0.22 1.88 -1.07 0.00 0.00 179.97 180.66 1n63 h TYR 108 N 0.00 0.04 0.00 3.04 0.05 -0.94 -0.81 116.97 118.35 1n63 h TYR 108 Ca -0.00 -0.01 -0.26 0.00 0.05 0.00 0.00 58.73 58.51 1n63 h TYR 108 Cb 0.53 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.22 1n63 h TYR 108 CO 0.00 0.26 -1.94 -1.33 -1.05 0.00 0.00 178.16 174.10 1n63 n MET 109 N -4.26 0.38 -1.82 4.88 2.81 -0.68 -4.85 117.12 113.59 1n63 n MET 109 Ca -0.02 0.13 -0.40 0.00 -1.81 0.00 0.00 57.70 55.59 1n63 n MET 109 Cb 0.29 -1.21 0.01 0.00 -0.71 0.00 0.00 33.22 31.59 1n63 n MET 109 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1n63 s GLY 110 N -5.43 2.93 0.26 3.03 0.00 0.11 -3.88 107.32 104.35 1n63 s GLY 110 Ca -0.23 1.51 0.09 0.00 0.00 0.00 0.00 44.72 46.09 1n63 s GLY 110 CO 0.34 2.16 0.00 -0.51 0.00 0.00 0.00 173.10 175.08 1n63 s THR 111 N -1.16 3.49 0.26 0.90 -4.23 -1.26 -1.38 115.64 112.26 1n63 s THR 111 Ca 0.56 -1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 59.20 1n63 s THR 111 Cb -0.45 -2.86 0.10 0.00 1.34 0.00 0.00 72.50 70.64 1n63 s THR 111 CO 0.59 -0.35 1.75 -0.29 -0.54 0.00 0.00 174.62 175.78 1n63 h ILE 112 N 1.93 1.24 -0.13 2.99 2.10 -1.08 -0.94 117.51 123.62 1n63 h ILE 112 Ca -0.45 -1.04 -0.16 0.00 1.08 0.00 0.00 64.86 64.29 1n63 h ILE 112 Cb 1.25 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 1n63 h ILE 112 CO 0.60 0.36 -0.59 1.23 -1.08 0.00 0.00 178.15 178.67 1n63 h GLY 113 N 0.97 0.46 1.74 8.18 0.00 -1.05 -0.60 103.07 112.77 1n63 h GLY 113 Ca 0.13 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.74 1n63 h GLY 113 CO 0.02 0.50 -0.71 -1.33 0.00 0.00 0.00 176.54 175.02 1n63 h GLY 114 N 1.23 0.28 0.96 4.60 0.00 -1.65 0.11 103.07 108.60 1n63 h GLY 114 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1n63 h GLY 114 CO 0.10 0.35 0.16 -0.57 0.00 0.00 0.00 176.54 176.58 1n63 h ASN 115 N 0.17 0.69 0.01 0.19 -0.73 -0.94 -1.28 115.58 113.69 1n63 h ASN 115 Ca -0.02 -0.20 -0.20 0.00 1.87 0.00 0.00 56.30 57.75 1n63 h ASN 115 Cb 1.27 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.68 1n63 h ASN 115 CO 0.11 0.70 -0.73 0.00 -0.37 0.00 0.00 177.43 177.14 1n63 h ALA 116 N 1.02 0.46 0.00 1.57 0.00 -0.89 -3.33 119.26 118.08 1n63 h ALA 116 Ca 0.16 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 1n63 h ALA 116 Cb 0.25 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1n63 h ALA 116 CO -0.01 0.71 -0.98 0.00 0.00 0.00 0.00 179.25 178.98 1n63 h ALA 117 N 0.74 0.59 -0.40 0.00 0.00 -0.71 -3.40 119.26 116.08 1n63 h ALA 117 Ca -0.04 -0.79 0.08 0.00 0.00 0.00 0.00 54.91 54.17 1n63 h ALA 117 Cb 1.33 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1n63 h ALA 117 CO 0.14 0.98 -0.06 -0.97 0.00 0.00 0.00 179.25 179.34 1n63 h ASN 118 N 0.00 -0.29 0.00 0.00 -0.00 -1.35 -3.47 115.58 110.47 1n63 h ASN 118 Ca -0.07 0.11 0.00 0.00 -0.00 0.00 0.00 56.30 56.34 1n63 h ASN 118 Cb 1.61 0.22 0.00 0.00 -0.00 0.00 0.00 38.32 40.15 1n63 h ASN 118 CO 0.08 -0.10 0.00 0.61 -0.00 0.00 0.00 177.43 178.02 1n63 n GLY 119 N -1.29 0.82 3.70 1.57 0.00 -1.26 -4.76 105.19 103.97 1n63 n GLY 119 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1n63 n GLY 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n63 s ASP 120 N -2.25 7.25 0.49 1.61 -1.08 -1.26 -0.48 116.67 120.96 1n63 s ASP 120 Ca 0.00 1.66 0.33 0.00 -0.52 0.00 0.00 52.55 54.02 1n63 s ASP 120 Cb 0.00 -2.56 1.65 0.00 -1.46 0.00 0.00 42.92 40.55 1n63 s ASP 120 CO 0.00 -0.40 2.01 1.55 0.52 0.00 0.00 175.17 178.85 1n63 h PRO 121 N 7.01 0.00 0.00 4.34 0.13 -1.88 -1.57 132.00 140.03 1n63 h PRO 121 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1n63 h PRO 121 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1n63 h PRO 121 CO 0.82 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.00 1n63 n GLY 122 N -0.69 -1.34 3.77 1.56 0.00 -1.26 -2.94 105.19 104.29 1n63 n GLY 122 Ca -0.01 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1n63 n GLY 122 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n63 s ASN 123 N -3.93 6.42 -0.00 1.61 0.02 -0.59 -4.48 114.94 113.98 1n63 s ASN 123 Ca 0.07 2.37 0.02 0.00 -1.02 0.00 0.00 52.86 54.30 1n63 s ASN 123 Cb 0.11 -2.61 -0.26 0.00 0.02 0.00 0.00 41.25 38.51 1n63 s ASN 123 CO 0.43 -0.75 0.83 0.44 0.02 0.00 0.00 177.10 178.07 1n63 h ASP 124 N 2.51 0.25 -0.75 -1.22 3.32 -1.90 -3.38 116.42 115.25 1n63 h ASP 124 Ca -0.49 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.14 1n63 h ASP 124 Cb 1.24 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1n63 h ASP 124 CO 0.62 1.32 0.31 0.24 -1.72 0.00 0.00 179.24 180.01 1n63 h MET 125 N 0.04 1.13 -0.47 3.56 2.86 -1.92 -3.15 114.93 116.98 1n63 h MET 125 Ca -0.23 -0.20 0.08 0.00 -2.06 0.00 0.00 59.70 57.29 1n63 h MET 125 Cb 1.98 -0.19 -0.10 0.00 0.06 0.00 0.00 31.60 33.36 1n63 h MET 125 CO 0.13 0.91 -0.36 -1.35 1.06 0.00 0.00 176.91 177.30 1n63 h PRO 126 N 1.10 -0.23 -0.01 -0.22 0.11 -1.81 0.82 132.00 131.76 1n63 h PRO 126 Ca 0.26 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.26 1n63 h PRO 126 Cb 0.20 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1n63 h PRO 126 CO -0.02 -0.16 -0.56 0.00 -0.21 0.00 0.00 178.00 177.06 1n63 h ALA 127 N 0.73 1.06 -0.68 -0.75 0.00 -1.81 -1.19 119.26 116.61 1n63 h ALA 127 Ca 0.18 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1n63 h ALA 127 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1n63 h ALA 127 CO -0.60 0.69 0.44 1.25 0.00 0.00 0.00 179.25 181.04 1n63 h LEU 128 N 0.03 0.78 -1.11 0.00 5.85 -1.34 0.37 115.31 119.88 1n63 h LEU 128 Ca -0.00 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1n63 h LEU 128 Cb 0.99 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1n63 h LEU 128 CO 0.07 0.57 0.09 0.24 -0.34 0.00 0.00 178.44 179.08 1n63 h MET 129 N 0.92 0.72 -0.27 1.25 2.86 -0.38 -0.51 114.93 119.52 1n63 h MET 129 Ca 0.25 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1n63 h MET 129 Cb -0.10 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1n63 h MET 129 CO -0.05 0.67 -0.21 1.96 1.06 0.00 0.00 176.91 180.33 1n63 h GLN 130 N 0.69 0.63 -0.61 1.72 4.20 -1.01 -0.79 115.11 119.94 1n63 h GLN 130 Ca 0.15 -0.31 0.12 0.00 0.06 0.00 0.00 58.65 58.67 1n63 h GLN 130 Cb 0.29 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.98 1n63 h GLN 130 CO 0.00 0.91 0.10 0.00 -0.67 0.00 0.00 178.83 179.17 1n63 n LEU 132 N -5.17 0.52 -2.06 0.00 4.77 -0.23 -4.72 117.00 110.10 1n63 n LEU 132 Ca 0.09 0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1n63 n LEU 132 Cb 0.34 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1n63 n LEU 132 CO 0.15 -0.23 0.07 0.61 -1.33 0.00 0.00 177.39 176.66 1n63 n GLY 133 N 0.93 0.04 3.78 -0.72 0.00 -0.45 -4.56 105.19 104.21 1n63 n GLY 133 Ca 0.05 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1n63 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 134 N -3.05 2.25 -0.02 4.61 0.00 -0.43 -4.64 121.76 120.48 1n63 s ALA 134 Ca 0.26 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.44 1n63 s ALA 134 Cb -0.11 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1n63 s ALA 134 CO 0.32 -1.72 -0.25 0.00 0.00 0.00 0.00 175.76 174.11 1n63 s ALA 135 N -2.96 2.20 -0.21 0.00 0.00 0.11 -1.20 121.76 119.71 1n63 s ALA 135 Ca 0.61 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 1n63 s ALA 135 Cb -0.16 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 1n63 s ALA 135 CO 0.56 0.53 0.17 0.71 0.00 0.00 0.00 175.76 177.72 1n63 s TYR 136 N -0.60 3.37 -0.28 0.00 2.02 0.28 -0.37 117.35 121.77 1n63 s TYR 136 Ca 0.10 0.32 -0.17 0.00 -0.37 0.00 0.00 57.07 56.95 1n63 s TYR 136 Cb -0.10 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1n63 s TYR 136 CO -0.01 0.18 0.47 -1.21 -1.57 0.00 0.00 175.55 173.41 1n63 s GLU 137 N 0.70 3.97 -0.09 -0.62 2.02 0.04 -1.40 118.70 123.31 1n63 s GLU 137 Ca 0.09 0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.24 1n63 s GLU 137 Cb -0.12 -3.68 -0.02 0.00 0.10 0.00 0.00 34.13 30.40 1n63 s GLU 137 CO 0.02 -0.38 -0.12 -0.51 0.02 0.00 0.00 175.26 174.28 1n63 s LEU 138 N 2.25 2.83 -0.11 1.80 1.43 -0.02 -0.40 118.68 126.47 1n63 s LEU 138 Ca 0.19 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1n63 s LEU 138 Cb -0.16 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1n63 s LEU 138 CO 0.10 0.26 -0.23 -0.89 0.23 0.00 0.00 176.35 175.82 1n63 s THR 139 N -0.20 2.02 0.03 5.49 2.01 -0.03 -0.91 115.64 124.04 1n63 s THR 139 Ca 0.01 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.03 1n63 s THR 139 Cb -0.13 -1.76 -0.00 0.00 0.01 0.00 0.00 72.50 70.62 1n63 s THR 139 CO 0.03 0.55 0.01 0.61 -0.69 0.00 0.00 174.62 175.13 1n63 n GLY 140 N 3.74 4.03 0.19 4.40 0.00 -0.13 -0.64 105.19 116.77 1n63 n GLY 140 Ca -0.19 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.07 1n63 n GLY 140 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n63 h PRO 141 N 0.00 0.00 -0.17 1.61 0.13 -1.87 -0.79 132.00 130.92 1n63 h PRO 141 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1n63 h PRO 141 Cb 0.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1n63 h PRO 141 CO 0.04 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.20 1n63 n GLU 142 N -2.68 2.18 0.00 0.86 1.02 -1.26 -5.05 120.64 115.70 1n63 n GLU 142 Ca 0.02 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.42 1n63 n GLU 142 Cb 0.34 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1n63 n GLU 142 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n63 n GLY 143 N 1.33 -0.84 3.87 0.62 0.00 -0.30 -5.04 105.19 104.82 1n63 n GLY 143 Ca 0.17 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 1n63 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 144 N -2.00 3.48 0.31 4.61 0.00 -1.26 -0.96 121.76 125.94 1n63 s ALA 144 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 1n63 s ALA 144 Cb 0.00 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1n63 s ALA 144 CO 0.00 0.44 0.58 -0.98 0.00 0.00 0.00 175.76 175.80 1n63 s ARG 145 N -2.89 1.83 -0.06 0.00 1.70 -0.09 -5.00 118.95 114.44 1n63 s ARG 145 Ca 0.50 -1.39 0.04 0.00 -0.47 0.00 0.00 55.73 54.40 1n63 s ARG 145 Cb -0.11 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1n63 s ARG 145 CO 0.20 -0.80 -0.17 0.42 -1.08 0.00 0.00 175.30 173.87 1n63 s ILE 146 N -3.36 1.44 -0.09 4.99 1.01 -1.26 -0.84 121.20 123.09 1n63 s ILE 146 Ca 0.21 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1n63 s ILE 146 Cb -0.02 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.20 1n63 s ILE 146 CO 0.12 0.42 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 1n63 s VAL 147 N 0.28 1.50 0.42 2.92 1.01 -0.49 -4.97 120.40 121.07 1n63 s VAL 147 Ca -0.10 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 1n63 s VAL 147 Cb -0.14 -1.34 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 1n63 s VAL 147 CO 0.04 0.44 1.44 0.00 0.00 0.00 0.00 175.10 177.02 1n63 s ALA 148 N 0.64 3.36 0.40 5.51 0.00 -1.26 -0.56 121.76 129.86 1n63 s ALA 148 Ca -0.14 1.50 0.14 0.00 0.00 0.00 0.00 51.96 53.46 1n63 s ALA 148 Cb -0.16 -3.59 0.99 0.00 0.00 0.00 0.00 23.12 20.36 1n63 s ALA 148 CO 0.04 -1.13 1.89 0.00 0.00 0.00 0.00 175.76 176.56 1n63 h ALA 149 N 2.58 2.06 0.00 0.00 0.00 -1.48 0.13 119.26 122.55 1n63 h ALA 149 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1n63 h ALA 149 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n63 h ALA 149 CO 0.62 -0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.12 1n63 n ARG 150 N -4.51 0.16 -0.03 0.00 1.74 -1.26 -2.30 116.66 110.46 1n63 n ARG 150 Ca 0.17 0.54 0.02 0.00 -0.77 0.00 0.00 57.85 57.80 1n63 n ARG 150 Cb 0.56 -1.90 0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1n63 n ARG 150 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1n63 n ASP 151 N -2.21 1.82 0.14 0.55 8.00 0.40 -4.73 116.55 120.51 1n63 n ASP 151 Ca 0.00 -1.57 0.12 0.00 0.71 0.00 0.00 54.79 54.05 1n63 n ASP 151 Cb 0.12 -0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.25 1n63 n ASP 151 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1n63 h TYR 152 N 0.75 0.00 -3.39 1.24 3.20 -0.95 -3.44 116.97 114.38 1n63 h TYR 152 Ca 0.00 0.00 -0.67 0.00 3.14 0.00 0.00 58.73 61.20 1n63 h TYR 152 Cb 0.37 0.00 -0.32 0.00 1.54 0.00 0.00 36.73 38.32 1n63 h TYR 152 CO 0.04 0.00 -0.77 0.71 -1.64 0.00 0.00 178.16 176.50 1n63 s TYR 153 N -3.30 2.98 -0.11 -3.82 2.02 -1.26 -0.86 117.35 113.00 1n63 s TYR 153 Ca 0.02 -1.47 0.14 0.00 -0.37 0.00 0.00 57.07 55.39 1n63 s TYR 153 Cb 0.08 -2.03 -0.20 0.00 -0.40 0.00 0.00 41.96 39.42 1n63 s TYR 153 CO 0.74 -0.71 0.13 1.04 -1.57 0.00 0.00 175.55 175.18 1n63 n GLN 154 N 4.68 1.33 -2.64 -0.62 3.00 -0.19 -4.99 117.38 117.95 1n63 n GLN 154 Ca -0.18 -0.04 -0.02 0.00 -0.01 0.00 0.00 57.00 56.75 1n63 n GLN 154 Cb 0.48 -1.37 0.01 0.00 0.00 0.00 0.00 30.24 29.36 1n63 n GLN 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n63 n GLY 155 N 1.98 1.05 3.63 1.08 0.00 -0.79 -4.92 105.19 107.21 1n63 n GLY 155 Ca -0.18 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 1n63 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 156 N -1.54 3.25 -1.58 4.61 0.00 -0.91 -1.70 121.76 123.89 1n63 s ALA 156 Ca 0.11 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1n63 s ALA 156 Cb -0.02 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1n63 s ALA 156 CO 0.04 -2.00 0.00 0.66 0.00 0.00 0.00 175.76 174.46 1n63 n TYR 157 N 8.69 -0.78 -3.72 0.00 4.01 0.37 -4.96 117.16 120.77 1n63 n TYR 157 Ca 0.20 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.64 1n63 n TYR 157 Cb 0.45 -3.52 -0.15 0.00 -0.31 0.00 0.00 39.34 35.81 1n63 n TYR 157 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1n63 s PHE 158 N -2.88 1.56 0.51 -0.72 5.99 -0.69 -5.03 117.98 116.72 1n63 s PHE 158 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 56.93 55.33 1n63 s PHE 158 Cb 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 43.02 41.42 1n63 s PHE 158 CO 0.00 -0.85 0.00 0.25 -0.00 0.00 0.00 175.22 174.62 1n63 n THR 159 N 4.89 0.00 1.52 0.12 -2.24 -1.26 -1.02 114.28 116.29 1n63 n THR 159 Ca -0.03 -2.39 0.14 0.00 -2.27 0.00 0.00 64.05 59.50 1n63 n THR 159 Cb 0.42 0.48 0.59 0.00 -2.10 0.00 0.00 70.33 69.73 1n63 n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 n ALA 160 N -1.39 2.72 -1.76 6.98 0.00 -0.04 -4.87 120.51 122.15 1n63 n ALA 160 Ca -0.21 -0.35 -0.37 0.00 0.00 0.00 0.00 53.44 52.51 1n63 n ALA 160 Cb 0.64 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.84 1n63 n ALA 160 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1n63 s ILE 161 N -2.19 2.75 0.33 0.00 2.07 -1.26 -5.04 121.20 117.86 1n63 s ILE 161 Ca 0.35 0.53 0.09 0.00 -1.41 0.00 0.00 60.65 60.22 1n63 s ILE 161 Cb 0.21 -3.25 -0.05 0.00 0.13 0.00 0.00 42.46 39.49 1n63 s ILE 161 CO 0.40 -0.04 0.05 -1.61 -1.91 0.00 0.00 174.94 171.83 1n63 s GLU 162 N -2.93 2.18 0.10 3.50 2.02 -1.26 -5.06 118.70 117.25 1n63 s GLU 162 Ca 0.69 -1.65 -0.35 0.00 0.02 0.00 0.00 54.97 53.68 1n63 s GLU 162 Cb -0.32 -2.02 -0.15 0.00 0.10 0.00 0.00 34.13 31.74 1n63 s GLU 162 CO 0.37 0.16 1.52 -2.30 0.02 0.00 0.00 175.26 175.03 1n63 n PRO 163 N -1.00 1.76 -0.24 0.39 -0.02 -1.26 -2.02 135.00 132.61 1n63 n PRO 163 Ca -0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1n63 n PRO 163 Cb 0.62 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1n63 n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n63 n GLY 164 N 3.20 0.86 3.90 -1.23 0.00 -1.26 -4.79 105.19 105.86 1n63 n GLY 164 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1n63 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n63 s GLU 165 N -0.62 3.65 0.09 1.61 2.02 -0.86 -4.34 118.70 120.25 1n63 s GLU 165 Ca 0.00 -0.01 0.10 0.00 0.02 0.00 0.00 54.97 55.09 1n63 s GLU 165 Cb 0.00 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 1n63 s GLU 165 CO 0.00 0.33 -0.27 -0.51 0.02 0.00 0.00 175.26 174.84 1n63 s LEU 166 N -3.10 2.25 -0.26 1.80 1.43 0.19 -4.89 118.68 116.09 1n63 s LEU 166 Ca 0.43 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.60 1n63 s LEU 166 Cb -0.11 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1n63 s LEU 166 CO 0.26 0.22 0.88 -0.22 0.23 0.00 0.00 176.35 177.72 1n63 s LEU 167 N -1.68 4.07 -0.16 1.79 0.20 -1.26 -0.85 118.68 120.79 1n63 s LEU 167 Ca 0.13 1.01 0.16 0.00 0.69 0.00 0.00 54.13 56.12 1n63 s LEU 167 Cb -0.10 -3.26 -0.23 0.00 -0.43 0.00 0.00 46.19 42.17 1n63 s LEU 167 CO 0.04 -0.61 0.10 0.35 -0.29 0.00 0.00 176.35 175.94 1n63 n THR 168 N 5.40 1.09 -3.46 3.68 -2.24 0.47 -4.68 114.28 114.54 1n63 n THR 168 Ca 0.07 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 61.02 1n63 n THR 168 Cb 0.47 -0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1n63 n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 s ALA 169 N -2.52 -1.69 -0.18 6.98 0.00 -1.18 -1.48 121.76 121.70 1n63 s ALA 169 Ca -0.09 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1n63 s ALA 169 Cb 0.06 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1n63 s ALA 169 CO 0.73 -0.69 -0.16 0.42 0.00 0.00 0.00 175.76 176.06 1n63 s ILE 170 N -3.23 2.44 -0.32 0.00 1.01 -0.04 -0.78 121.20 120.28 1n63 s ILE 170 Ca 0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 1n63 s ILE 170 Cb -0.01 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1n63 s ILE 170 CO -0.09 0.51 0.18 -0.60 0.00 0.00 0.00 174.94 174.94 1n63 s ARG 171 N 1.16 3.39 -0.21 2.79 3.52 0.50 -0.80 118.95 129.31 1n63 s ARG 171 Ca 0.01 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1n63 s ARG 171 Cb -0.14 -3.63 0.02 0.00 -1.56 0.00 0.00 34.95 29.64 1n63 s ARG 171 CO -0.07 -0.42 -0.15 0.42 -0.81 0.00 0.00 175.30 174.28 1n63 s ILE 172 N 1.65 2.35 0.23 4.11 1.01 0.14 -0.71 121.20 129.97 1n63 s ILE 172 Ca 0.05 -1.01 -0.31 0.00 0.00 0.00 0.00 60.65 59.38 1n63 s ILE 172 Cb -0.17 -2.09 -0.11 0.00 0.01 0.00 0.00 42.46 40.09 1n63 s ILE 172 CO 0.08 0.39 1.66 -2.84 0.00 0.00 0.00 174.94 174.23 1n63 s PRO 173 N 1.29 4.14 -0.10 2.79 0.02 -1.26 -0.70 135.00 141.18 1n63 s PRO 173 Ca 0.02 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 1n63 s PRO 173 Cb -0.15 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 1n63 s PRO 173 CO -0.09 -0.69 1.26 0.08 -0.33 0.00 0.00 177.00 177.22 1n63 s VAL 174 N 0.81 4.20 0.76 3.83 1.01 -0.63 -4.84 120.40 125.54 1n63 s VAL 174 Ca 0.71 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 64.07 1n63 s VAL 174 Cb -0.48 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 31.98 1n63 s VAL 174 CO 0.37 -0.06 1.08 -2.84 0.00 0.00 0.00 175.10 173.65 1n63 s PRO 175 N 2.83 2.36 0.43 2.72 0.02 -1.26 -4.96 135.00 137.13 1n63 s PRO 175 Ca 0.57 1.02 -0.24 0.00 0.02 0.00 0.00 61.00 62.36 1n63 s PRO 175 Cb -0.24 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 1n63 s PRO 175 CO 0.19 -1.53 1.10 -2.30 -0.33 0.00 0.00 177.00 174.13 1n63 n PRO 176 N -3.43 1.52 -1.65 5.54 -0.02 -1.26 -4.93 135.00 130.78 1n63 n PRO 176 Ca 0.08 0.55 -0.45 0.00 -2.02 0.00 0.00 63.50 61.66 1n63 n PRO 176 Cb 0.54 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1n63 n PRO 176 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1n63 n THR 177 N -0.44 1.22 -0.72 3.45 -1.04 -1.26 -1.90 114.28 113.58 1n63 n THR 177 Ca 0.09 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1n63 n THR 177 Cb 0.39 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1n63 n THR 177 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n63 n GLY 178 N 1.82 0.80 3.75 3.41 0.00 -1.26 -4.94 105.19 108.76 1n63 n GLY 178 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1n63 n GLY 178 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n63 s HIS 179 N -3.04 2.30 0.44 1.61 -0.00 -0.80 -0.32 115.29 115.47 1n63 s HIS 179 Ca 0.00 1.53 -0.08 0.00 -0.00 0.00 0.00 55.06 56.51 1n63 s HIS 179 Cb 0.00 -3.49 -0.05 0.00 -0.00 0.00 0.00 32.58 29.04 1n63 s HIS 179 CO 0.00 -2.35 0.78 0.20 -0.00 0.00 0.00 174.74 173.36 1n63 s GLY 180 N -1.70 1.74 0.01 -1.38 0.00 0.15 -4.47 107.32 101.68 1n63 s GLY 180 Ca 0.77 -0.34 -0.28 0.00 0.00 0.00 0.00 44.72 44.87 1n63 s GLY 180 CO 0.37 -0.16 0.70 -2.52 0.00 0.00 0.00 173.10 171.49 1n63 s TYR 181 N -2.54 -0.56 -0.15 1.90 1.13 -1.26 -1.30 117.35 114.57 1n63 s TYR 181 Ca 0.49 0.73 -0.30 0.00 -1.41 0.00 0.00 57.07 56.58 1n63 s TYR 181 Cb -0.10 0.48 0.13 0.00 -1.10 0.00 0.00 41.96 41.36 1n63 s TYR 181 CO 0.38 -0.66 0.99 0.00 -2.51 0.00 0.00 175.55 173.75 1n63 s ALA 182 N -2.23 -1.93 -0.15 9.51 0.00 -0.42 -3.87 121.76 122.68 1n63 s ALA 182 Ca -0.05 1.55 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 1n63 s ALA 182 Cb -0.00 -0.63 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1n63 s ALA 182 CO -0.00 -0.34 -0.02 -0.47 0.00 0.00 0.00 175.76 174.93 1n63 s TYR 183 N -1.25 1.33 -0.22 0.00 5.04 -1.26 -0.99 117.35 120.00 1n63 s TYR 183 Ca -0.01 -0.83 -0.01 0.00 -2.44 0.00 0.00 57.07 53.78 1n63 s TYR 183 Cb -0.00 -1.14 0.01 0.00 0.35 0.00 0.00 41.96 41.18 1n63 s TYR 183 CO 0.01 -0.55 -0.10 -2.00 -1.34 0.00 0.00 175.55 171.57 1n63 s GLU 184 N 1.76 3.04 -0.06 4.97 2.56 -0.25 -4.89 118.70 125.82 1n63 s GLU 184 Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 54.97 54.21 1n63 s GLU 184 Cb -0.15 -2.86 -0.01 0.00 2.00 0.00 0.00 34.13 33.12 1n63 s GLU 184 CO -0.07 -0.28 -0.23 0.21 -0.56 0.00 0.00 175.26 174.33 1n63 s LYS 185 N 1.36 2.49 -0.19 4.30 2.20 -1.26 -1.21 119.74 127.43 1n63 s LYS 185 Ca 0.03 -0.83 -0.05 0.00 -0.36 0.00 0.00 55.97 54.76 1n63 s LYS 185 Cb -0.15 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.08 1n63 s LYS 185 CO -0.07 0.30 0.01 -1.17 -0.36 0.00 0.00 175.35 174.07 1n63 s LEU 186 N 0.00 3.41 0.13 5.43 2.96 -0.24 -5.01 118.68 125.36 1n63 s LEU 186 Ca -0.07 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 1n63 s LEU 186 Cb -0.14 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1n63 s LEU 186 CO 0.05 0.11 0.29 -1.59 -1.32 0.00 0.00 176.35 173.89 1n63 s LYS 187 N 0.74 1.04 0.22 1.98 -2.85 -1.26 -0.53 119.74 119.08 1n63 s LYS 187 Ca 0.01 -0.97 0.11 0.00 -1.00 0.00 0.00 55.97 54.12 1n63 s LYS 187 Cb -0.14 0.40 0.08 0.00 -2.06 0.00 0.00 37.83 36.11 1n63 s LYS 187 CO 0.02 -0.38 1.44 0.00 0.10 0.00 0.00 175.35 176.53 1n63 h ARG 188 N 2.55 0.00 -1.76 1.78 3.08 -1.88 -3.48 114.38 114.67 1n63 h ARG 188 Ca -0.33 0.00 0.23 0.00 0.07 0.00 0.00 59.98 59.96 1n63 h ARG 188 Cb 1.23 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.13 1n63 h ARG 188 CO 0.50 0.73 0.70 -1.59 -1.07 0.00 0.00 179.97 179.24 1n63 s LYS 189 N -3.06 0.57 0.13 0.04 -2.85 -1.26 -5.07 119.74 108.24 1n63 s LYS 189 Ca 0.01 -0.26 -0.34 0.00 -1.00 0.00 0.00 55.97 54.38 1n63 s LYS 189 Cb 0.10 0.23 -0.17 0.00 -2.06 0.00 0.00 37.83 35.92 1n63 s LYS 189 CO 0.77 -0.26 0.95 -0.89 0.10 0.00 0.00 175.35 176.03 1n63 n ILE 190 N -0.29 0.93 0.00 3.79 2.08 -1.26 -1.71 119.36 122.90 1n63 n ILE 190 Ca -0.05 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.03 1n63 n ILE 190 Cb 0.61 -0.34 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 1n63 n ILE 190 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1n63 n GLY 191 N 1.83 2.43 3.77 7.39 0.00 -1.20 -5.02 105.19 114.39 1n63 n GLY 191 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1n63 n GLY 191 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n63 s ASP 192 N -2.75 7.20 0.61 1.61 2.15 -0.69 -4.58 116.67 120.22 1n63 s ASP 192 Ca 0.00 2.09 -0.17 0.00 0.43 0.00 0.00 52.55 54.89 1n63 s ASP 192 Cb 0.00 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.99 1n63 s ASP 192 CO 0.00 -0.18 1.15 -0.31 -0.17 0.00 0.00 175.17 175.66 1n63 s TYR 193 N -1.37 2.53 0.31 -5.34 2.02 -1.26 -4.83 117.35 109.40 1n63 s TYR 193 Ca 0.48 1.55 -0.29 0.00 -0.37 0.00 0.00 57.07 58.44 1n63 s TYR 193 Cb -0.26 -3.31 -0.11 0.00 -0.40 0.00 0.00 41.96 37.88 1n63 s TYR 193 CO 0.33 -1.86 1.43 0.00 -1.57 0.00 0.00 175.55 173.89 1n63 s ALA 194 N -1.94 3.59 0.17 3.71 0.00 -1.26 -4.69 121.76 121.34 1n63 s ALA 194 Ca 0.72 1.40 -0.14 0.00 0.00 0.00 0.00 51.96 53.94 1n63 s ALA 194 Cb -0.25 -3.56 0.11 0.00 0.00 0.00 0.00 23.12 19.43 1n63 s ALA 194 CO 0.35 -0.82 1.77 1.15 0.00 0.00 0.00 175.76 178.21 1n63 h THR 195 N 3.23 0.94 -1.95 0.00 2.02 -1.15 -3.45 112.91 112.54 1n63 h THR 195 Ca -0.48 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 1n63 h THR 195 Cb 1.23 0.48 -0.20 0.00 -1.74 0.00 0.00 68.15 67.91 1n63 h THR 195 CO 0.71 0.08 0.22 0.00 0.37 0.00 0.00 175.52 176.90 1n63 s ALA 196 N -6.14 -1.79 0.02 6.16 0.00 -1.23 -4.76 121.76 114.02 1n63 s ALA 196 Ca -0.13 1.46 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 1n63 s ALA 196 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1n63 s ALA 196 CO 0.73 -0.36 0.18 0.00 0.00 0.00 0.00 175.76 176.31 1n63 s ALA 197 N -0.92 -0.37 -0.03 0.00 0.00 -1.07 -1.08 121.76 118.28 1n63 s ALA 197 Ca -0.08 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.75 1n63 s ALA 197 Cb -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 1n63 s ALA 197 CO 0.08 -0.29 -0.17 0.00 0.00 0.00 0.00 175.76 175.38 1n63 s ALA 198 N -1.96 1.51 -0.11 0.00 0.00 -0.35 -1.04 121.76 119.81 1n63 s ALA 198 Ca -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1n63 s ALA 198 Cb -0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1n63 s ALA 198 CO -0.01 0.30 -0.04 0.00 0.00 0.00 0.00 175.76 176.01 1n63 s ALA 199 N -0.09 3.05 -0.02 0.00 0.00 0.08 -1.09 121.76 123.68 1n63 s ALA 199 Ca -0.01 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1n63 s ALA 199 Cb -0.10 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.61 1n63 s ALA 199 CO 0.01 0.41 -0.02 0.08 0.00 0.00 0.00 175.76 176.24 1n63 s VAL 200 N -0.29 0.30 -0.06 0.00 1.01 -0.16 -0.66 120.40 120.53 1n63 s VAL 200 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1n63 s VAL 200 Cb -0.13 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1n63 s VAL 200 CO 0.02 0.14 -0.12 -0.69 0.00 0.00 0.00 175.10 174.46 1n63 s VAL 201 N 0.63 1.10 0.11 2.92 1.01 -0.62 -1.30 120.40 124.24 1n63 s VAL 201 Ca -0.07 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1n63 s VAL 201 Cb -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1n63 s VAL 201 CO -0.01 0.35 0.20 -1.48 0.00 0.00 0.00 175.10 174.16 1n63 s LEU 202 N 0.68 1.35 0.20 3.92 0.05 -0.42 -1.04 118.68 123.43 1n63 s LEU 202 Ca -0.14 -0.75 0.08 0.00 0.05 0.00 0.00 54.13 53.37 1n63 s LEU 202 Cb -0.16 1.01 -0.05 0.00 -2.05 0.00 0.00 46.19 44.95 1n63 s LEU 202 CO 0.04 -0.77 -0.15 0.42 -0.55 0.00 0.00 176.35 175.33 1n63 s THR 203 N -3.90 1.81 0.05 5.48 -4.23 -0.59 -0.67 115.64 113.58 1n63 s THR 203 Ca 0.09 -2.18 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1n63 s THR 203 Cb 0.05 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1n63 s THR 203 CO -0.07 -0.54 -0.08 -0.04 -0.54 0.00 0.00 174.62 173.35 1n63 s MET 204 N -3.50 0.57 -0.12 3.99 -1.94 -1.26 -0.45 119.30 116.60 1n63 s MET 204 Ca 0.22 -0.81 -0.07 0.00 -1.71 0.00 0.00 55.69 53.32 1n63 s MET 204 Cb -0.02 -0.33 0.04 0.00 2.01 0.00 0.00 34.83 36.53 1n63 s MET 204 CO 0.07 0.06 0.28 0.45 -0.01 0.00 0.00 175.02 175.87 1n63 s SER 205 N -1.68 -0.31 -1.41 3.03 0.15 -0.13 -4.80 113.70 108.54 1n63 s SER 205 Ca -0.08 0.60 -0.07 0.00 0.70 0.00 0.00 55.95 57.10 1n63 s SER 205 Cb -0.09 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1n63 s SER 205 CO 0.00 -0.15 0.32 0.61 1.20 0.00 0.00 173.24 175.22 1n63 n GLY 206 N 3.85 -0.33 2.83 9.45 0.00 -1.26 -1.75 105.19 117.98 1n63 n GLY 206 Ca -0.21 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n63 n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n63 n GLY 207 N -2.22 0.94 3.26 -0.02 0.00 -1.26 -5.02 105.19 100.86 1n63 n GLY 207 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1n63 n GLY 207 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n63 s LYS 208 N -0.02 1.79 0.08 1.61 2.20 -0.71 -4.32 119.74 120.37 1n63 s LYS 208 Ca 0.00 -0.85 -0.31 0.00 -0.36 0.00 0.00 55.97 54.45 1n63 s LYS 208 Cb 0.00 -1.77 -0.07 0.00 -1.51 0.00 0.00 37.83 34.48 1n63 s LYS 208 CO 0.00 0.48 1.32 0.00 -0.36 0.00 0.00 175.35 176.79 1n63 n VAL 210 N 4.02 1.44 -4.04 0.00 0.31 0.41 -0.07 118.33 120.40 1n63 n VAL 210 Ca 0.11 -0.55 -0.09 0.00 -0.01 0.00 0.00 64.34 63.80 1n63 n VAL 210 Cb 0.44 -1.39 -0.11 0.00 -0.91 0.00 0.00 33.84 31.87 1n63 n VAL 210 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1n63 s THR 211 N -2.50 0.24 -0.12 2.52 -4.23 -1.18 -4.81 115.64 105.55 1n63 s THR 211 Ca -0.34 -1.26 -0.22 0.00 -1.18 0.00 0.00 61.69 58.69 1n63 s THR 211 Cb 0.09 -0.76 0.05 0.00 1.34 0.00 0.00 72.50 73.22 1n63 s THR 211 CO 0.58 -0.65 0.54 0.00 -0.54 0.00 0.00 174.62 174.55 1n63 s ALA 212 N -2.30 -1.37 -0.06 3.99 0.00 -1.26 -1.54 121.76 119.21 1n63 s ALA 212 Ca -0.07 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 1n63 s ALA 212 Cb -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1n63 s ALA 212 CO -0.04 -0.29 0.17 0.45 0.00 0.00 0.00 175.76 176.05 1n63 s SER 213 N -0.47 -0.17 -0.05 0.00 0.15 -0.21 -4.55 113.70 108.39 1n63 s SER 213 Ca -0.06 0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.95 1n63 s SER 213 Cb -0.03 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1n63 s SER 213 CO 0.04 -0.06 -0.12 -0.63 1.20 0.00 0.00 173.24 173.67 1n63 s ILE 214 N 0.11 1.08 0.12 6.45 1.01 -1.26 -1.60 121.20 127.12 1n63 s ILE 214 Ca -0.00 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.27 1n63 s ILE 214 Cb -0.01 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1n63 s ILE 214 CO 0.00 0.34 -0.19 -0.83 0.00 0.00 0.00 174.94 174.26 1n63 s GLY 215 N 0.50 1.69 -0.09 6.18 0.00 0.17 -0.86 107.32 114.91 1n63 s GLY 215 Ca -0.11 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.27 1n63 s GLY 215 CO 0.03 -1.36 -0.18 1.08 0.00 0.00 0.00 173.10 172.67 1n63 s LEU 216 N -2.18 1.85 -0.15 0.66 1.43 0.48 -0.74 118.68 120.03 1n63 s LEU 216 Ca 0.18 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1n63 s LEU 216 Cb -0.10 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1n63 s LEU 216 CO 0.10 0.09 0.07 -0.89 0.23 0.00 0.00 176.35 175.95 1n63 s THR 217 N 0.57 4.92 -1.52 5.49 2.01 -0.20 -1.60 115.64 125.30 1n63 s THR 217 Ca -0.15 -0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 1n63 s THR 217 Cb -0.17 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.19 1n63 s THR 217 CO 0.05 0.53 0.68 -3.20 -0.69 0.00 0.00 174.62 171.99 1n63 n ASN 218 N 2.82 -6.01 -0.78 3.53 5.15 -1.15 -2.61 115.26 116.20 1n63 n ASN 218 Ca -0.18 -0.33 0.06 0.00 -0.60 0.00 0.00 54.58 53.53 1n63 n ASN 218 Cb 0.53 -4.85 0.15 0.00 -0.53 0.00 0.00 39.78 35.09 1n63 n ASN 218 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1n63 n VAL 219 N -4.55 1.56 -3.86 3.44 0.24 -1.26 -4.73 118.33 109.17 1n63 n VAL 219 Ca -0.09 -2.50 -0.01 0.00 -2.04 0.00 0.00 64.34 59.69 1n63 n VAL 219 Cb 0.61 0.10 0.02 0.00 -1.47 0.00 0.00 33.84 33.09 1n63 n VAL 219 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n63 n ALA 220 N -0.70 -2.41 1.21 2.33 0.00 -1.25 -0.37 120.51 119.31 1n63 n ALA 220 Ca 0.15 -0.82 0.11 0.00 0.00 0.00 0.00 53.44 52.89 1n63 n ALA 220 Cb 0.80 0.40 0.62 0.00 0.00 0.00 0.00 19.45 21.27 1n63 n ALA 220 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1n63 n ASN 221 N -1.12 0.00 -4.26 0.00 0.23 -1.26 -4.75 115.26 104.09 1n63 n ASN 221 Ca -0.01 -0.25 -0.16 0.00 -0.53 0.00 0.00 54.58 53.64 1n63 n ASN 221 Cb 0.49 -0.20 -0.10 0.00 -2.08 0.00 0.00 39.78 37.88 1n63 n ASN 221 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1n63 s THR 222 N -2.41 0.41 0.90 5.53 -4.23 -1.26 -2.14 115.64 112.43 1n63 s THR 222 Ca 0.26 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1n63 s THR 222 Cb 0.16 -2.60 0.13 0.00 1.34 0.00 0.00 72.50 71.53 1n63 s THR 222 CO 0.33 0.00 1.14 -2.16 -0.54 0.00 0.00 174.62 173.39 1n63 s PRO 223 N -4.04 1.18 -0.03 3.99 0.04 -1.26 -4.63 135.00 130.25 1n63 s PRO 223 Ca 0.38 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.93 1n63 s PRO 223 Cb 0.07 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1n63 s PRO 223 CO 0.14 -2.50 -0.12 -0.51 0.04 0.00 0.00 177.00 174.06 1n63 s LEU 224 N -6.51 1.84 -0.44 -3.56 1.43 -0.63 -4.99 118.68 105.82 1n63 s LEU 224 Ca 0.66 -0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 53.34 1n63 s LEU 224 Cb -0.22 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.36 1n63 s LEU 224 CO 0.58 0.10 0.52 0.86 0.23 0.00 0.00 176.35 178.63 1n63 s TRP 225 N 0.12 3.13 -1.36 0.29 -0.00 -1.26 -0.39 118.94 119.47 1n63 s TRP 225 Ca -0.03 -0.33 -0.12 0.00 -0.00 0.00 0.00 56.10 55.63 1n63 s TRP 225 Cb -0.09 -3.11 0.11 0.00 -0.00 0.00 0.00 33.47 30.38 1n63 s TRP 225 CO 0.01 -0.79 2.02 0.00 -0.00 0.00 0.00 176.95 178.19 1n63 n ALA 226 N 5.85 5.37 0.04 5.86 0.00 -0.04 -4.81 120.51 132.78 1n63 n ALA 226 Ca -0.06 -4.11 -0.11 0.00 0.00 0.00 0.00 53.44 49.17 1n63 n ALA 226 Cb 0.47 -3.25 -0.04 0.00 0.00 0.00 0.00 19.45 16.63 1n63 n ALA 226 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n63 h GLU 227 N 5.94 -0.33 -0.44 0.00 4.81 -1.94 -2.25 114.58 120.37 1n63 h GLU 227 Ca 0.47 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.64 1n63 h GLU 227 Cb 0.65 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 1n63 h GLU 227 CO 1.73 -0.22 -0.07 0.93 -0.73 0.00 0.00 179.01 180.66 1n63 h GLU 228 N -0.34 0.76 -0.68 1.92 5.08 -1.92 -2.17 114.58 117.22 1n63 h GLU 228 Ca 0.07 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1n63 h GLU 228 Cb 0.45 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1n63 h GLU 228 CO -0.24 0.81 0.45 0.00 -1.00 0.00 0.00 179.01 179.03 1n63 h ALA 229 N 1.23 0.87 -0.41 3.43 0.00 -1.76 -1.75 119.26 120.87 1n63 h ALA 229 Ca 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1n63 h ALA 229 Cb 0.52 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1n63 h ALA 229 CO 0.03 0.29 -0.33 0.78 0.00 0.00 0.00 179.25 180.02 1n63 h GLY 230 N 0.93 1.02 1.03 0.00 0.00 -1.24 -3.15 103.07 101.65 1n63 h GLY 230 Ca 0.25 -1.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 1n63 h GLY 230 CO -0.05 0.90 0.40 1.70 0.00 0.00 0.00 176.54 179.49 1n63 h LYS 231 N 0.78 1.15 0.00 4.80 3.64 -1.16 -2.24 116.57 123.55 1n63 h LYS 231 Ca 0.08 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1n63 h LYS 231 Cb 0.92 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1n63 h LYS 231 CO 0.09 0.88 0.00 -0.24 -2.27 0.00 0.00 179.45 177.91 1n63 h VAL 232 N 1.14 0.00 0.00 2.00 3.04 -1.28 -2.43 116.25 118.71 1n63 h VAL 232 Ca 0.28 -0.30 -0.12 0.00 -1.01 0.00 0.00 66.70 65.55 1n63 h VAL 232 Cb 0.10 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.46 1n63 h VAL 232 CO -0.04 0.00 -0.57 -0.07 -1.01 0.00 0.00 177.57 175.88 1n63 h LEU 233 N 0.00 0.00 -9.64 3.16 3.38 -1.44 -3.44 115.31 107.34 1n63 h LEU 233 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1n63 h LEU 233 Cb 0.39 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.19 1n63 h LEU 233 CO 0.00 0.57 0.93 -0.69 0.09 0.00 0.00 178.44 179.34 1n63 s VAL 234 N -3.24 2.37 0.00 1.22 1.01 -0.92 -1.72 120.40 119.13 1n63 s VAL 234 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1n63 s VAL 234 Cb 0.10 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1n63 s VAL 234 CO 0.74 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1n63 n GLY 235 N 3.75 2.09 4.00 4.51 0.00 0.90 -4.97 105.19 115.47 1n63 n GLY 235 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1n63 n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n63 s THR 236 N -2.31 2.65 -2.21 2.61 -4.23 -0.70 -4.72 115.64 106.73 1n63 s THR 236 Ca 0.00 -0.82 0.21 0.00 -1.18 0.00 0.00 61.69 59.90 1n63 s THR 236 Cb 0.00 -2.83 0.49 0.00 1.34 0.00 0.00 72.50 71.50 1n63 s THR 236 CO 0.00 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.69 1n63 n ALA 237 N -2.21 2.55 -3.54 3.99 0.00 -1.26 -0.70 120.51 119.33 1n63 n ALA 237 Ca 0.10 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 1n63 n ALA 237 Cb 0.60 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.97 1n63 n ALA 237 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n63 n LEU 238 N 0.01 -3.46 -5.00 0.00 4.77 -1.26 -4.96 117.00 107.10 1n63 n LEU 238 Ca 0.16 -0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 55.40 1n63 n LEU 238 Cb 0.26 -2.98 0.04 0.00 -2.33 0.00 0.00 43.42 38.41 1n63 n LEU 238 CO 0.13 0.60 0.26 1.51 -1.33 0.00 0.00 177.39 178.56 1n63 s ASP 239 N -3.46 5.05 0.41 -1.43 -4.77 -1.26 -4.85 116.67 106.36 1n63 s ASP 239 Ca 0.49 -0.89 0.11 0.00 -3.30 0.00 0.00 52.55 48.96 1n63 s ASP 239 Cb -0.22 0.22 0.93 0.00 -1.09 0.00 0.00 42.92 42.76 1n63 s ASP 239 CO 0.71 -1.22 1.97 0.50 0.70 0.00 0.00 175.17 177.82 1n63 h LYS 240 N 0.36 0.51 -0.18 2.11 3.64 -1.98 -0.76 116.57 120.26 1n63 h LYS 240 Ca -0.32 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 1n63 h LYS 240 Cb 1.29 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1n63 h LYS 240 CO 0.45 0.34 -0.42 -1.35 -2.27 0.00 0.00 179.45 176.20 1n63 h PRO 241 N 0.53 0.43 -0.34 1.90 0.11 -2.00 0.84 132.00 133.47 1n63 h PRO 241 Ca 0.29 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 66.11 1n63 h PRO 241 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1n63 h PRO 241 CO -0.09 0.77 -0.07 0.00 -0.21 0.00 0.00 178.00 178.40 1n63 h ALA 242 N 1.20 0.47 -0.01 -0.75 0.00 -1.72 -2.87 119.26 115.58 1n63 h ALA 242 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1n63 h ALA 242 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1n63 h ALA 242 CO 0.07 0.30 -0.27 -0.07 0.00 0.00 0.00 179.25 179.29 1n63 h LEU 243 N 0.44 0.01 -0.99 0.00 -0.00 -0.77 -2.35 115.31 111.66 1n63 h LEU 243 Ca 0.09 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.93 1n63 h LEU 243 Cb 0.57 -0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.19 1n63 h LEU 243 CO 0.03 0.28 0.34 0.44 -0.00 0.00 0.00 178.44 179.53 1n63 h ASP 244 N 0.01 0.96 -0.25 -0.43 3.32 -0.61 0.51 116.42 119.92 1n63 h ASP 244 Ca -0.00 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 1n63 h ASP 244 Cb 0.48 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1n63 h ASP 244 CO 0.03 0.83 -0.34 0.11 -1.72 0.00 0.00 179.24 178.15 1n63 h LYS 245 N 1.05 0.68 -0.24 3.56 1.57 -1.39 -2.10 116.57 119.70 1n63 h LYS 245 Ca 0.25 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1n63 h LYS 245 Cb 0.13 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1n63 h LYS 245 CO -0.03 1.01 0.15 0.00 -0.57 0.00 0.00 179.45 180.01 1n63 h ALA 246 N 0.66 0.30 -0.38 3.86 0.00 -0.92 -2.19 119.26 120.60 1n63 h ALA 246 Ca 0.03 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1n63 h ALA 246 Cb 0.93 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1n63 h ALA 246 CO 0.08 -0.24 -0.00 0.28 0.00 0.00 0.00 179.25 179.37 1n63 h VAL 247 N 0.31 0.71 -0.98 0.00 2.07 -0.89 0.46 116.25 117.93 1n63 h VAL 247 Ca 0.09 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1n63 h VAL 247 Cb -0.02 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1n63 h VAL 247 CO -0.03 0.02 0.65 0.00 0.02 0.00 0.00 177.57 178.22 1n63 h ALA 248 N 1.34 1.34 -0.02 1.67 0.00 -1.12 0.59 119.26 123.06 1n63 h ALA 248 Ca 0.19 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1n63 h ALA 248 Cb 0.26 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1n63 h ALA 248 CO -0.31 0.58 -0.76 -0.07 0.00 0.00 0.00 179.25 178.69 1n63 h LEU 249 N 1.27 0.18 -0.01 0.00 3.38 -0.90 -2.13 115.31 117.10 1n63 h LEU 249 Ca 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1n63 h LEU 249 Cb -0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1n63 h LEU 249 CO -0.11 0.87 -0.02 0.00 0.09 0.00 0.00 178.44 179.27 1n63 h ALA 250 N 1.13 0.01 -0.64 1.53 0.00 -0.59 -3.28 119.26 117.42 1n63 h ALA 250 Ca -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1n63 h ALA 250 Cb 1.33 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1n63 h ALA 250 CO 0.11 -0.18 0.42 0.93 0.00 0.00 0.00 179.25 180.53 1n63 h GLU 251 N -0.55 0.70 0.00 0.00 5.08 -0.79 -2.56 114.58 116.46 1n63 h GLU 251 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1n63 h GLU 251 Cb 0.60 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1n63 h GLU 251 CO 0.00 0.46 -0.14 0.00 -1.00 0.00 0.00 179.01 178.33 1n63 h ALA 252 N 1.64 1.37 -0.01 3.43 0.00 -1.44 -1.99 119.26 122.25 1n63 h ALA 252 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n63 h ALA 252 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1n63 h ALA 252 CO -0.08 0.18 -0.24 0.44 0.00 0.00 0.00 179.25 179.55 1n63 n ILE 253 N -3.80 0.00 -1.81 0.00 -5.35 -0.97 -4.95 119.36 102.49 1n63 n ILE 253 Ca -0.02 -0.24 -0.32 0.00 -0.27 0.00 0.00 62.75 61.90 1n63 n ILE 253 Cb 0.25 0.82 0.03 0.00 -1.74 0.00 0.00 39.64 39.00 1n63 n ILE 253 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1n63 s THR 254 N -2.33 3.71 -0.47 7.28 -4.23 -0.75 -4.97 115.64 113.88 1n63 s THR 254 Ca 0.26 0.72 0.06 0.00 -1.18 0.00 0.00 61.69 61.55 1n63 s THR 254 Cb 0.19 -3.29 0.23 0.00 1.34 0.00 0.00 72.50 70.97 1n63 s THR 254 CO 0.47 -0.57 0.76 0.00 -0.54 0.00 0.00 174.62 174.75 1n63 n ALA 255 N -2.50 -0.60 -1.67 3.99 0.00 0.50 -5.00 120.51 115.23 1n63 n ALA 255 Ca 0.09 -1.77 -0.30 0.00 0.00 0.00 0.00 53.44 51.45 1n63 n ALA 255 Cb 0.53 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.79 1n63 n ALA 255 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1n63 s PRO 256 N 0.37 2.70 0.54 0.00 0.02 -1.12 -3.96 135.00 133.55 1n63 s PRO 256 Ca 0.32 0.71 -0.16 0.00 0.02 0.00 0.00 61.00 61.90 1n63 s PRO 256 Cb 0.17 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 1n63 s PRO 256 CO -0.19 -1.21 1.01 0.00 -0.33 0.00 0.00 177.00 176.28 1n63 s ALA 257 N -3.17 2.99 -0.37 -1.55 0.00 -1.26 -4.74 121.76 113.67 1n63 s ALA 257 Ca 0.59 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 1n63 s ALA 257 Cb -0.13 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1n63 s ALA 257 CO 0.54 -0.41 0.22 -1.12 0.00 0.00 0.00 175.76 174.99 1n63 s SER 258 N -3.12 5.80 0.00 0.00 0.01 -1.26 -4.19 113.70 110.94 1n63 s SER 258 Ca 0.60 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1n63 s SER 258 Cb -0.11 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1n63 s SER 258 CO 0.35 -0.36 0.00 -0.90 0.41 0.00 0.00 173.24 172.74 1n63 n ASP 259 N 5.03 0.00 0.15 2.44 5.68 -1.13 -4.99 116.55 123.73 1n63 n ASP 259 Ca -0.12 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.29 1n63 n ASP 259 Cb 0.47 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.00 1n63 n ASP 259 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n63 n GLY 260 N 0.00 -1.07 0.03 6.12 0.00 -1.26 -1.40 105.19 107.60 1n63 n GLY 260 Ca 0.00 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1n63 n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n63 n ARG 261 N -2.27 0.07 0.00 1.61 1.74 -1.26 -5.01 116.66 111.54 1n63 n ARG 261 Ca 0.00 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1n63 n ARG 261 Cb 0.13 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1n63 n ARG 261 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n63 n GLY 262 N 1.28 0.97 3.77 -0.13 0.00 -0.50 -4.92 105.19 105.66 1n63 n GLY 262 Ca 0.06 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 1n63 n GLY 262 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n63 s PRO 263 N -1.01 2.38 0.23 1.61 0.04 -1.26 -2.86 135.00 134.14 1n63 s PRO 263 Ca 0.00 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.20 1n63 s PRO 263 Cb 0.00 -1.91 0.38 0.00 0.04 0.00 0.00 34.50 33.01 1n63 s PRO 263 CO 0.00 -1.55 1.72 0.00 0.04 0.00 0.00 177.00 177.21 1n63 h ALA 264 N -0.84 0.91 -0.60 8.56 0.00 -1.85 -1.78 119.26 123.65 1n63 h ALA 264 Ca -0.44 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1n63 h ALA 264 Cb 1.23 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1n63 h ALA 264 CO 0.52 -0.24 0.34 1.49 0.00 0.00 0.00 179.25 181.36 1n63 h GLU 265 N 0.37 0.82 -0.59 0.00 4.81 -1.94 -0.38 114.58 117.68 1n63 h GLU 265 Ca 0.37 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 1n63 h GLU 265 Cb 0.55 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1n63 h GLU 265 CO -0.40 0.61 0.30 -0.92 -0.73 0.00 0.00 179.01 177.87 1n63 h TYR 266 N 0.81 0.55 -0.31 0.92 3.20 -1.71 -1.34 116.97 119.08 1n63 h TYR 266 Ca 0.21 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 1n63 h TYR 266 Cb 0.01 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1n63 h TYR 266 CO -0.02 0.25 -0.20 0.00 -1.64 0.00 0.00 178.16 176.55 1n63 h ARG 267 N 0.56 0.57 -0.52 1.82 3.08 -0.80 0.12 114.38 119.22 1n63 h ARG 267 Ca 0.27 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1n63 h ARG 267 Cb 0.19 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1n63 h ARG 267 CO -0.19 0.74 0.16 1.15 -1.07 0.00 0.00 179.97 180.77 1n63 h THR 268 N 0.51 1.23 -0.47 2.04 2.02 -0.85 -0.45 112.91 116.94 1n63 h THR 268 Ca 0.08 -0.78 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 1n63 h THR 268 Cb 0.64 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1n63 h THR 268 CO 0.05 0.29 -0.01 0.11 0.37 0.00 0.00 175.52 176.32 1n63 h LYS 269 N 0.71 0.79 -0.08 6.66 1.79 -0.56 -2.32 116.57 123.57 1n63 h LYS 269 Ca 0.17 -0.22 -0.11 0.00 -2.18 0.00 0.00 60.65 58.31 1n63 h LYS 269 Cb 0.27 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1n63 h LYS 269 CO -0.01 0.80 -0.44 0.52 -1.08 0.00 0.00 179.45 179.24 1n63 h MET 270 N 0.73 0.18 -0.67 3.15 2.86 -0.35 -1.35 114.93 119.48 1n63 h MET 270 Ca 0.14 -0.09 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 1n63 h MET 270 Cb 0.47 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 1n63 h MET 270 CO 0.02 0.59 0.34 0.00 1.06 0.00 0.00 176.91 178.92 1n63 h ALA 271 N 1.40 0.91 -0.65 6.32 0.00 -0.53 0.47 119.26 127.17 1n63 h ALA 271 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1n63 h ALA 271 Cb 0.85 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1n63 h ALA 271 CO 0.07 -0.04 0.20 0.78 0.00 0.00 0.00 179.25 180.25 1n63 h GLY 272 N 0.59 1.09 0.89 0.00 0.00 -1.15 -0.92 103.07 103.58 1n63 h GLY 272 Ca 0.32 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1n63 h GLY 272 CO -0.24 0.61 0.03 -2.08 0.00 0.00 0.00 176.54 174.85 1n63 h VAL 273 N 0.94 1.24 -0.84 4.60 2.07 -0.86 -1.44 116.25 121.97 1n63 h VAL 273 Ca 0.21 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 66.91 1n63 h VAL 273 Cb 0.30 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1n63 h VAL 273 CO -0.01 0.28 0.52 0.24 0.02 0.00 0.00 177.57 178.63 1n63 h MET 274 N 0.35 0.95 -0.27 1.57 2.86 -0.87 -0.92 114.93 118.60 1n63 h MET 274 Ca 0.09 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1n63 h MET 274 Cb 0.39 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1n63 h MET 274 CO 0.01 0.63 0.13 1.25 1.06 0.00 0.00 176.91 179.99 1n63 h LEU 275 N 0.98 0.20 -0.40 1.22 6.46 -0.92 -0.06 115.31 122.78 1n63 h LEU 275 Ca 0.35 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 58.18 1n63 h LEU 275 Cb 0.11 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 1n63 h LEU 275 CO -0.15 0.15 0.12 0.03 -0.62 0.00 0.00 178.44 177.97 1n63 h ARG 276 N 0.28 0.26 -0.11 1.25 3.08 -0.85 -0.02 114.38 118.27 1n63 h ARG 276 Ca 0.11 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 1n63 h ARG 276 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1n63 h ARG 276 CO -0.08 0.17 -0.59 0.00 -1.07 0.00 0.00 179.97 178.41 1n63 h ARG 277 N 0.27 0.35 -0.38 0.04 3.08 -0.89 -1.58 114.38 115.26 1n63 h ARG 277 Ca 0.19 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1n63 h ARG 277 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1n63 h ARG 277 CO -0.22 0.84 -0.05 0.00 -1.07 0.00 0.00 179.97 179.47 1n63 h ALA 278 N 1.11 0.52 -0.71 0.04 0.00 -0.62 -1.62 119.26 117.97 1n63 h ALA 278 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1n63 h ALA 278 Cb 1.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1n63 h ALA 278 CO 0.10 0.35 0.32 0.28 0.00 0.00 0.00 179.25 180.29 1n63 h VAL 279 N 0.52 1.24 -0.34 0.00 2.07 -0.91 -0.15 116.25 118.68 1n63 h VAL 279 Ca 0.10 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1n63 h VAL 279 Cb 0.55 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1n63 h VAL 279 CO 0.03 0.29 0.14 -0.08 0.02 0.00 0.00 177.57 177.98 1n63 h GLU 280 N 1.01 0.50 -0.44 1.57 4.81 -1.13 0.86 114.58 121.75 1n63 h GLU 280 Ca 0.24 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1n63 h GLU 280 Cb 0.16 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1n63 h GLU 280 CO -0.03 0.49 0.04 0.00 -0.73 0.00 0.00 179.01 178.78 1n63 h ARG 281 N 0.41 0.75 -0.79 1.92 3.08 -1.08 -2.21 114.38 116.46 1n63 h ARG 281 Ca 0.11 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1n63 h ARG 281 Cb 0.16 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1n63 h ARG 281 CO -0.01 0.79 0.52 0.00 -1.07 0.00 0.00 179.97 180.20 1n63 h ALA 282 N 0.93 1.00 -0.43 0.04 0.00 -0.74 -1.89 119.26 118.17 1n63 h ALA 282 Ca 0.13 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1n63 h ALA 282 Cb 0.43 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1n63 h ALA 282 CO 0.01 0.42 0.23 -0.22 0.00 0.00 0.00 179.25 179.69 1n63 h LYS 283 N 1.07 0.45 -0.78 0.00 3.64 -0.69 -0.26 116.57 120.00 1n63 h LYS 283 Ca 0.29 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1n63 h LYS 283 Cb -0.12 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 1n63 h LYS 283 CO -0.06 0.30 0.44 0.00 -2.27 0.00 0.00 179.45 177.86 1n63 h ALA 284 N 1.21 1.31 -0.01 5.00 0.00 -1.16 -2.66 119.26 122.95 1n63 h ALA 284 Ca 0.18 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1n63 h ALA 284 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1n63 h ALA 284 CO -0.11 0.57 -0.69 0.00 0.00 0.00 0.00 179.25 179.02 1n63 h ARG 285 N 1.08 0.05 -6.98 0.00 3.08 -0.88 -3.46 114.38 107.29 1n63 h ARG 285 Ca 0.28 -0.05 -0.53 0.00 0.07 0.00 0.00 59.98 59.75 1n63 h ARG 285 Cb -0.00 0.01 0.10 0.00 0.08 0.00 0.00 29.97 30.16 1n63 h ARG 285 CO -0.05 0.72 0.64 0.00 -1.07 0.00 0.00 179.97 180.22 1n63 s ALA 286 N -3.47 3.20 0.00 0.04 0.00 -0.15 -4.57 121.76 116.80 1n63 s ALA 286 Ca -0.02 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1n63 s ALA 286 Cb 0.12 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1n63 s ALA 286 CO 0.78 -1.02 0.00 1.63 0.00 0.00 0.00 175.76 177.16