#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a44 s VAL 2 N 0.00 4.80 -0.60 0.52 1.01 -1.25 -4.25 120.40 120.62 1a44 s VAL 2 Ca 0.00 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1a44 s VAL 2 Cb 0.00 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 32.26 1a44 s VAL 2 CO 0.00 -0.63 0.69 -0.62 0.00 0.00 0.00 175.10 174.54 1a44 s ASP 3 N 2.06 6.21 0.00 3.32 2.15 -1.26 -4.86 116.67 124.30 1a44 s ASP 3 Ca 0.23 -1.54 0.17 0.00 0.43 0.00 0.00 52.55 51.84 1a44 s ASP 3 Cb -0.14 -2.29 0.75 0.00 -0.30 0.00 0.00 42.92 40.94 1a44 s ASP 3 CO 0.19 -1.07 1.53 0.18 -0.17 0.00 0.00 175.17 175.84 1a44 n LEU 4 N 6.12 0.00 0.19 -1.34 4.77 -1.26 -1.69 117.00 123.79 1a44 n LEU 4 Ca -0.08 0.46 0.14 0.00 -0.03 0.00 0.00 56.01 56.49 1a44 n LEU 4 Cb 0.42 -0.46 0.64 0.00 -2.33 0.00 0.00 43.42 41.70 1a44 n LEU 4 CO 0.57 -0.19 0.90 0.77 -1.33 0.00 0.00 177.39 178.11 1a44 h SER 5 N 0.00 0.00 -0.48 -1.43 4.64 -2.00 -1.62 113.55 112.66 1a44 h SER 5 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a44 h SER 5 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1a44 h SER 5 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1a44 n LYS 6 N -2.45 2.42 -0.24 4.77 4.76 -0.68 -4.55 118.16 122.19 1a44 n LYS 6 Ca -0.00 -1.86 0.03 0.00 -2.87 0.00 0.00 58.31 53.61 1a44 n LYS 6 Cb 0.15 -1.50 0.15 0.00 -1.84 0.00 0.00 35.03 31.99 1a44 n LYS 6 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 1a44 h TRP 7 N 2.89 0.47 -0.72 2.13 2.91 -1.46 -0.62 115.95 121.56 1a44 h TRP 7 Ca 0.00 0.03 -0.34 0.00 1.13 0.00 0.00 58.89 59.72 1a44 h TRP 7 Cb 0.82 -0.10 -0.20 0.00 -0.51 0.00 0.00 29.16 29.16 1a44 h TRP 7 CO 0.41 0.09 0.33 0.43 -1.03 0.00 0.00 178.44 178.66 1a44 n SER 8 N -4.99 3.53 -1.55 2.65 7.64 -1.26 -1.08 113.62 118.55 1a44 n SER 8 Ca 0.12 -3.57 0.00 0.00 1.01 0.00 0.00 58.87 56.43 1a44 n SER 8 Cb 0.35 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1a44 n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a44 n GLY 9 N -0.95 1.21 0.37 0.23 0.00 -0.24 -4.65 105.19 101.15 1a44 n GLY 9 Ca 0.47 -1.57 0.17 0.00 0.00 0.00 0.00 46.02 45.08 1a44 n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a44 h PRO 10 N 0.00 0.15 0.00 1.61 0.13 -1.91 -0.52 132.00 131.46 1a44 h PRO 10 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1a44 h PRO 10 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1a44 h PRO 10 CO 0.00 0.10 0.00 -0.07 -0.23 0.00 0.00 178.00 177.80 1a44 h LEU 11 N 0.16 0.00 -2.44 1.56 3.38 -1.85 -3.47 115.31 112.65 1a44 h LEU 11 Ca 0.26 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.75 1a44 h LEU 11 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1a44 h LEU 11 CO -0.04 0.00 -0.91 -1.20 0.09 0.00 0.00 178.44 176.38 1a44 n SER 12 N -2.89 -2.10 0.00 -0.43 7.64 -0.20 -4.81 113.62 110.83 1a44 n SER 12 Ca 0.00 -1.03 0.14 0.00 1.01 0.00 0.00 58.87 59.00 1a44 n SER 12 Cb 0.24 -3.07 0.68 0.00 -1.01 0.00 0.00 64.21 61.05 1a44 n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a44 n LEU 13 N -4.38 0.00 0.00 -3.43 4.77 -0.24 -2.06 117.00 111.66 1a44 n LEU 13 Ca -0.23 0.40 0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1a44 n LEU 13 Cb 0.65 -0.40 0.41 0.00 -2.33 0.00 0.00 43.42 41.76 1a44 n LEU 13 CO 0.73 -0.01 0.80 0.00 -1.33 0.00 0.00 177.39 177.58 1a44 n GLN 14 N -1.40 0.05 0.23 3.23 0.00 -1.25 -0.86 117.38 117.39 1a44 n GLN 14 Ca 0.10 0.17 0.16 0.00 0.00 0.00 0.00 57.00 57.43 1a44 n GLN 14 Cb 0.29 -1.50 0.68 0.00 0.00 0.00 0.00 30.24 29.71 1a44 n GLN 14 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1a44 h GLU 15 N 0.00 0.00 0.00 2.61 5.08 -1.78 -3.33 114.58 117.16 1a44 h GLU 15 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1a44 h GLU 15 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1a44 h GLU 15 CO 0.00 0.00 -1.17 0.28 -1.00 0.00 0.00 179.01 177.12 1a44 n VAL 16 N -2.78 1.25 -3.80 3.13 0.31 -0.04 -5.08 118.33 111.32 1a44 n VAL 16 Ca 0.01 0.05 -0.06 0.00 -0.01 0.00 0.00 64.34 64.32 1a44 n VAL 16 Cb 0.24 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 1a44 n VAL 16 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a44 s ASP 17 N -6.20 -0.26 0.84 4.52 -1.08 -0.90 -4.08 116.67 109.50 1a44 s ASP 17 Ca -0.21 -0.50 -0.10 0.00 -0.52 0.00 0.00 52.55 51.21 1a44 s ASP 17 Cb 0.05 0.65 0.10 0.00 -1.46 0.00 0.00 42.92 42.26 1a44 s ASP 17 CO 0.29 -1.18 1.11 -1.83 0.52 0.00 0.00 175.17 174.08 1a44 s GLU 18 N -3.71 1.69 0.27 4.34 -1.05 -1.26 -3.93 118.70 115.06 1a44 s GLU 18 Ca 0.11 1.26 -0.31 0.00 -0.15 0.00 0.00 54.97 55.88 1a44 s GLU 18 Cb -0.04 -1.83 -0.12 0.00 -0.44 0.00 0.00 34.13 31.70 1a44 s GLU 18 CO 0.04 -2.07 1.57 -2.13 0.95 0.00 0.00 175.26 173.62 1a44 n ARG 19 N -3.82 2.55 -1.40 -4.83 0.63 -1.26 -4.60 116.66 103.93 1a44 n ARG 19 Ca 0.10 0.91 -0.29 0.00 -0.92 0.00 0.00 57.85 57.64 1a44 n ARG 19 Cb 0.53 -2.67 0.14 0.00 0.45 0.00 0.00 32.46 30.91 1a44 n ARG 19 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1a44 s PRO 20 N -0.27 1.07 0.15 -0.14 0.02 -1.26 -4.70 135.00 129.87 1a44 s PRO 20 Ca 0.67 0.45 -0.05 0.00 0.02 0.00 0.00 61.00 62.09 1a44 s PRO 20 Cb -0.54 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.14 1a44 s PRO 20 CO 0.47 -2.28 1.37 1.96 -0.33 0.00 0.00 177.00 178.19 1a44 h GLN 21 N -1.56 0.50 -4.06 5.54 4.20 -1.22 -3.46 115.11 115.04 1a44 h GLN 21 Ca -0.51 -0.44 -0.25 0.00 0.06 0.00 0.00 58.65 57.51 1a44 h GLN 21 Cb 1.32 0.10 -0.26 0.00 0.30 0.00 0.00 27.48 28.94 1a44 h GLN 21 CO 0.60 1.07 -0.73 -1.01 -0.67 0.00 0.00 178.83 178.09 1a44 s HIS 22 N -3.56 0.28 0.25 2.96 3.76 -0.46 -5.01 115.29 113.50 1a44 s HIS 22 Ca -0.07 -0.20 -0.30 0.00 -0.15 0.00 0.00 55.06 54.34 1a44 s HIS 22 Cb 0.10 -0.18 -0.10 0.00 1.11 0.00 0.00 32.58 33.51 1a44 s HIS 22 CO 0.86 -0.05 1.42 -1.25 -0.85 0.00 0.00 174.74 174.87 1a44 s PRO 23 N -0.55 4.29 -0.15 8.40 0.04 -1.26 -1.74 135.00 144.02 1a44 s PRO 23 Ca -0.04 2.27 -0.20 0.00 0.04 0.00 0.00 61.00 63.07 1a44 s PRO 23 Cb -0.04 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 1a44 s PRO 23 CO -0.00 -0.39 0.59 -1.17 0.04 0.00 0.00 177.00 176.06 1a44 s LEU 24 N -0.41 4.22 -0.20 -3.56 2.96 -0.47 -4.56 118.68 116.66 1a44 s LEU 24 Ca 0.58 0.88 -0.19 0.00 -0.22 0.00 0.00 54.13 55.18 1a44 s LEU 24 Cb -0.41 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 1a44 s LEU 24 CO 0.43 -0.15 0.57 -1.10 -1.32 0.00 0.00 176.35 174.78 1a44 s GLN 25 N 1.28 4.20 -0.08 1.98 -0.21 0.16 -4.61 119.66 122.38 1a44 s GLN 25 Ca 0.29 0.51 0.04 0.00 0.02 0.00 0.00 55.36 56.22 1a44 s GLN 25 Cb -0.16 -3.57 -0.00 0.00 1.00 0.00 0.00 33.01 30.28 1a44 s GLN 25 CO 0.12 -0.18 -0.23 0.08 -2.12 0.00 0.00 175.29 172.96 1a44 s VAL 26 N 1.73 1.93 0.04 1.09 1.01 -1.26 -1.66 120.40 123.28 1a44 s VAL 26 Ca 0.26 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1a44 s VAL 26 Cb -0.16 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1a44 s VAL 26 CO 0.10 0.53 -0.24 -0.54 0.00 0.00 0.00 175.10 174.96 1a44 s LYS 27 N 0.23 1.91 0.48 2.72 1.02 -0.48 -0.70 119.74 124.93 1a44 s LYS 27 Ca -0.14 -1.05 0.03 0.00 0.02 0.00 0.00 55.97 54.82 1a44 s LYS 27 Cb -0.16 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 1a44 s LYS 27 CO 0.07 0.53 0.01 0.71 -0.92 0.00 0.00 175.35 175.75 1a44 s TYR 28 N -0.83 1.99 0.40 3.18 1.51 0.22 -0.25 117.35 123.57 1a44 s TYR 28 Ca 0.12 -0.92 0.06 0.00 -1.01 0.00 0.00 57.07 55.32 1a44 s TYR 28 Cb -0.10 -1.60 0.82 0.00 -0.11 0.00 0.00 41.96 40.96 1a44 s TYR 28 CO 0.03 0.23 2.04 0.78 -1.11 0.00 0.00 175.55 177.52 1a44 h GLY 29 N 1.49 0.61 -1.46 0.71 0.00 -1.85 -3.10 103.07 99.47 1a44 h GLY 29 Ca -0.43 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 1a44 h GLY 29 CO 0.74 0.23 -0.59 0.61 0.00 0.00 0.00 176.54 177.53 1a44 n GLY 30 N -1.43 1.91 3.74 4.60 0.00 -1.26 -5.11 105.19 107.64 1a44 n GLY 30 Ca 0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 1a44 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a44 s ALA 31 N -0.85 -1.49 -0.00 4.61 0.00 -1.17 -5.07 121.76 117.80 1a44 s ALA 31 Ca 0.20 0.06 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 1a44 s ALA 31 Cb 0.21 0.73 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1a44 s ALA 31 CO -0.06 -0.98 0.29 -2.00 0.00 0.00 0.00 175.76 173.01 1a44 s GLU 32 N -3.58 0.67 -0.80 0.00 2.56 -1.26 -0.61 118.70 115.68 1a44 s GLU 32 Ca 0.10 -0.26 -0.19 0.00 0.00 0.00 0.00 54.97 54.62 1a44 s GLU 32 Cb -0.03 0.29 0.13 0.00 2.00 0.00 0.00 34.13 36.52 1a44 s GLU 32 CO 0.02 -0.19 0.96 0.08 -0.56 0.00 0.00 175.26 175.57 1a44 s VAL 33 N -1.51 4.82 -0.39 3.70 1.01 0.13 -4.85 120.40 123.29 1a44 s VAL 33 Ca -0.12 -1.40 0.23 0.00 0.00 0.00 0.00 61.98 60.68 1a44 s VAL 33 Cb -0.05 -4.66 0.08 0.00 0.00 0.00 0.00 36.38 31.75 1a44 s VAL 33 CO 0.03 -1.35 1.23 -0.78 0.00 0.00 0.00 175.10 174.23 1a44 h ASP 34 N 8.87 0.00 -3.57 3.32 3.58 -1.95 -3.37 116.42 123.30 1a44 h ASP 34 Ca -0.01 -0.06 -0.16 0.00 0.42 0.00 0.00 57.03 57.22 1a44 h ASP 34 Cb 1.05 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 41.83 1a44 h ASP 34 CO 1.07 0.03 -0.39 -0.70 -2.88 0.00 0.00 179.24 176.37 1a44 s GLU 35 N -3.28 0.32 -0.01 0.28 2.12 -1.26 -1.39 118.70 115.47 1a44 s GLU 35 Ca 0.03 0.53 -0.32 0.00 0.36 0.00 0.00 54.97 55.57 1a44 s GLU 35 Cb 0.10 0.04 -0.10 0.00 0.26 0.00 0.00 34.13 34.43 1a44 s GLU 35 CO 0.75 -0.10 1.92 -0.11 -0.54 0.00 0.00 175.26 177.18 1a44 n LEU 36 N 3.59 3.83 0.00 2.70 7.94 -1.26 -1.48 117.00 132.31 1a44 n LEU 36 Ca -0.19 0.94 0.00 0.00 -1.11 0.00 0.00 56.01 55.65 1a44 n LEU 36 Cb 0.56 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1a44 n LEU 36 CO 0.14 0.08 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 1a44 n GLY 37 N 4.46 0.69 3.64 -3.96 0.00 0.13 -4.97 105.19 105.18 1a44 n GLY 37 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 1a44 n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a44 n LYS 38 N -2.61 1.70 -2.88 1.61 4.81 -0.55 -3.78 118.16 116.47 1a44 n LYS 38 Ca 0.00 0.60 -0.42 0.00 -0.87 0.00 0.00 58.31 57.63 1a44 n LYS 38 Cb 0.00 -2.16 -0.04 0.00 0.02 0.00 0.00 35.03 32.85 1a44 n LYS 38 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1a44 s VAL 39 N -0.41 4.86 0.34 3.15 1.01 -1.26 -0.87 120.40 127.22 1a44 s VAL 39 Ca 0.66 1.64 0.09 0.00 0.00 0.00 0.00 61.98 64.38 1a44 s VAL 39 Cb -0.70 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 31.48 1a44 s VAL 39 CO 0.54 -0.00 -0.02 -0.76 0.00 0.00 0.00 175.10 174.86 1a44 s LEU 40 N 2.34 2.92 0.27 3.92 1.43 -0.01 -4.94 118.68 124.61 1a44 s LEU 40 Ca 0.38 -1.03 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1a44 s LEU 40 Cb -0.16 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1a44 s LEU 40 CO 0.11 -0.21 0.40 0.42 0.23 0.00 0.00 176.35 177.30 1a44 s THR 41 N -2.53 5.08 0.28 5.49 -4.23 -1.26 -4.21 115.64 114.26 1a44 s THR 41 Ca 0.34 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1a44 s THR 41 Cb 0.00 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 70.32 1a44 s THR 41 CO 0.19 -0.34 1.85 -0.65 -0.54 0.00 0.00 174.62 175.13 1a44 h PRO 42 N 1.07 1.01 -0.67 3.99 0.11 -1.83 0.64 132.00 136.32 1a44 h PRO 42 Ca -0.51 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.60 1a44 h PRO 42 Cb 1.23 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 1a44 h PRO 42 CO 0.60 0.67 0.37 1.15 -0.21 0.00 0.00 178.00 180.58 1a44 h THR 43 N 1.04 0.97 -0.35 -1.15 2.02 -1.94 -1.68 112.91 111.82 1a44 h THR 43 Ca 0.47 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 1a44 h THR 43 Cb 0.39 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1a44 h THR 43 CO -0.23 0.13 0.04 1.56 0.37 0.00 0.00 175.52 177.38 1a44 h GLN 44 N 0.69 0.52 -0.45 6.66 4.20 -1.28 -3.09 115.11 122.37 1a44 h GLN 44 Ca 0.30 -0.10 -0.17 0.00 0.06 0.00 0.00 58.65 58.75 1a44 h GLN 44 Cb 0.19 -0.08 -0.10 0.00 0.30 0.00 0.00 27.48 27.78 1a44 h GLN 44 CO -0.18 0.52 0.07 1.33 -0.67 0.00 0.00 178.83 179.90 1a44 n VAL 45 N -4.31 2.60 0.22 -0.54 0.24 -0.87 -4.63 118.33 111.04 1a44 n VAL 45 Ca 0.02 -2.25 0.09 0.00 -2.04 0.00 0.00 64.34 60.16 1a44 n VAL 45 Cb 0.22 -0.32 0.51 0.00 -1.47 0.00 0.00 33.84 32.77 1a44 n VAL 45 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1a44 h LYS 46 N 1.46 0.00 -6.08 7.34 2.10 -1.24 -3.38 116.57 116.77 1a44 h LYS 46 Ca 0.21 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.31 1a44 h LYS 46 Cb 1.82 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 33.07 1a44 h LYS 46 CO 0.46 0.24 -0.54 -0.80 -2.00 0.00 0.00 179.45 176.81 1a44 s ASN 47 N -6.32 4.62 0.75 7.07 0.01 -1.26 -4.39 114.94 115.43 1a44 s ASN 47 Ca -0.01 -0.80 -0.15 0.00 -0.71 0.00 0.00 52.86 51.18 1a44 s ASN 47 Cb 0.12 -0.70 0.02 0.00 0.41 0.00 0.00 41.25 41.10 1a44 s ASN 47 CO 0.64 -0.30 0.93 0.54 -1.51 0.00 0.00 177.10 177.40 1a44 n ARG 48 N -1.13 0.37 -1.67 -0.60 1.74 -1.26 -4.91 116.66 109.20 1a44 n ARG 48 Ca -0.03 0.18 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 1a44 n ARG 48 Cb 0.61 -2.20 0.02 0.00 -1.02 0.00 0.00 32.46 29.88 1a44 n ARG 48 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1a44 n PRO 49 N -2.02 1.56 0.18 5.56 -0.04 -1.26 -4.73 135.00 134.26 1a44 n PRO 49 Ca 0.12 0.56 0.07 0.00 -0.04 0.00 0.00 63.50 64.22 1a44 n PRO 49 Cb 0.50 -2.27 0.15 0.00 -0.04 0.00 0.00 33.50 31.84 1a44 n PRO 49 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1a44 h THR 50 N 1.59 0.46 -1.88 0.52 1.35 -0.91 -3.47 112.91 110.56 1a44 h THR 50 Ca -0.47 -1.57 -0.02 0.00 -0.55 0.00 0.00 66.41 63.80 1a44 h THR 50 Cb 1.32 2.16 -0.20 0.00 -1.73 0.00 0.00 68.15 69.70 1a44 h THR 50 CO 0.57 0.25 0.27 -0.55 -0.25 0.00 0.00 175.52 175.82 1a44 s SER 51 N -6.31 -0.60 0.00 5.36 0.15 -1.16 -5.02 113.70 106.13 1a44 s SER 51 Ca 0.05 0.76 0.01 0.00 0.70 0.00 0.00 55.95 57.47 1a44 s SER 51 Cb 0.07 0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 65.00 1a44 s SER 51 CO 0.70 -0.48 -0.05 0.27 1.20 0.00 0.00 173.24 174.88 1a44 s ILE 52 N -0.89 0.37 0.23 6.45 -4.36 -1.26 -1.38 121.20 120.36 1a44 s ILE 52 Ca -0.07 -0.27 -0.09 0.00 -0.26 0.00 0.00 60.65 59.96 1a44 s ILE 52 Cb -0.01 -0.33 -0.02 0.00 1.25 0.00 0.00 42.46 43.36 1a44 s ILE 52 CO 0.06 0.06 0.36 0.42 0.24 0.00 0.00 174.94 176.08 1a44 s THR 53 N -0.22 0.00 -0.06 8.37 -4.23 -0.66 -4.85 115.64 113.98 1a44 s THR 53 Ca 0.01 -1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 58.61 1a44 s THR 53 Cb -0.02 -2.32 0.10 0.00 1.34 0.00 0.00 72.50 71.60 1a44 s THR 53 CO -0.00 0.00 0.87 -1.66 -0.54 0.00 0.00 174.62 173.28 1a44 s TRP 54 N -4.03 -0.43 0.17 3.99 -2.14 -1.26 0.36 118.94 115.59 1a44 s TRP 54 Ca 0.28 0.56 -0.32 0.00 2.66 0.00 0.00 56.10 59.29 1a44 s TRP 54 Cb 0.02 0.48 -0.11 0.00 -3.10 0.00 0.00 33.47 30.76 1a44 s TRP 54 CO 0.10 -0.50 1.73 -0.51 -2.66 0.00 0.00 176.95 175.11 1a44 s ASP 55 N -1.73 6.43 0.00 -2.66 1.11 -1.26 -2.08 116.67 116.48 1a44 s ASP 55 Ca -0.01 2.79 0.00 0.00 0.18 0.00 0.00 52.55 55.51 1a44 s ASP 55 Cb -0.01 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.40 1a44 s ASP 55 CO -0.02 -0.96 0.00 0.61 1.18 0.00 0.00 175.17 175.98 1a44 n GLY 56 N 4.03 1.72 3.64 0.21 0.00 -1.26 -4.88 105.19 108.65 1a44 n GLY 56 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.68 1a44 n GLY 56 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a44 n LEU 57 N 0.00 2.38 -4.34 0.99 7.94 -0.88 -4.93 117.00 118.15 1a44 n LEU 57 Ca 0.00 1.09 -0.38 0.00 -1.11 0.00 0.00 56.01 55.61 1a44 n LEU 57 Cb 0.00 -1.29 -0.12 0.00 0.53 0.00 0.00 43.42 42.54 1a44 n LEU 57 CO 0.00 -0.64 -0.23 -0.62 -1.11 0.00 0.00 177.39 174.79 1a44 s ASP 58 N 1.14 5.37 0.57 1.96 -1.08 -1.26 -4.96 116.67 118.42 1a44 s ASP 58 Ca 0.84 -0.88 0.37 0.00 -0.52 0.00 0.00 52.55 52.36 1a44 s ASP 58 Cb -0.84 -1.93 1.71 0.00 -1.46 0.00 0.00 42.92 40.40 1a44 s ASP 58 CO 0.45 -0.28 2.09 -0.65 0.52 0.00 0.00 175.17 177.31 1a44 h PRO 59 N 8.29 0.00 -0.16 4.34 0.11 -1.95 -1.11 132.00 141.53 1a44 h PRO 59 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1a44 h PRO 59 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1a44 h PRO 59 CO 0.62 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.82 1a44 n GLY 60 N -0.39 0.27 3.79 -0.55 0.00 -1.26 -4.01 105.19 103.05 1a44 n GLY 60 Ca -0.01 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1a44 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a44 s LYS 61 N -1.80 2.38 -0.01 1.61 1.02 -0.42 -4.97 119.74 117.55 1a44 s LYS 61 Ca 0.33 -1.67 0.02 0.00 0.02 0.00 0.00 55.97 54.67 1a44 s LYS 61 Cb 0.18 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 35.27 1a44 s LYS 61 CO 0.27 -0.11 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.05 1a44 s LEU 62 N -3.99 3.37 0.06 3.17 1.43 -1.26 -1.18 118.68 120.28 1a44 s LEU 62 Ca 0.43 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1a44 s LEU 62 Cb -0.00 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1a44 s LEU 62 CO 0.25 0.29 -0.04 -0.31 0.23 0.00 0.00 176.35 176.77 1a44 s TYR 63 N -1.03 0.61 -0.12 0.29 2.02 0.12 -1.00 117.35 118.23 1a44 s TYR 63 Ca 0.18 -1.00 -0.02 0.00 -0.37 0.00 0.00 57.07 55.86 1a44 s TYR 63 Cb -0.11 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 41.00 1a44 s TYR 63 CO 0.08 -0.31 -0.04 0.99 -1.57 0.00 0.00 175.55 174.70 1a44 s THR 64 N -3.69 3.88 -0.08 -0.71 2.01 -0.08 -1.04 115.64 115.92 1a44 s THR 64 Ca 0.07 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1a44 s THR 64 Cb 0.06 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.92 1a44 s THR 64 CO -0.08 0.54 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.95 1a44 s LEU 65 N -0.13 2.00 0.00 4.42 2.96 0.11 -1.31 118.68 126.73 1a44 s LEU 65 Ca 0.02 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1a44 s LEU 65 Cb -0.13 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1a44 s LEU 65 CO 0.03 0.16 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.45 1a44 s VAL 66 N 0.24 0.62 -0.10 1.68 1.01 -0.06 -1.12 120.40 122.66 1a44 s VAL 66 Ca -0.13 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1a44 s VAL 66 Cb -0.16 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1a44 s VAL 66 CO 0.06 0.10 -0.20 -0.22 0.00 0.00 0.00 175.10 174.84 1a44 s LEU 67 N -0.38 1.93 0.00 3.92 2.96 0.07 -1.09 118.68 126.10 1a44 s LEU 67 Ca 0.01 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1a44 s LEU 67 Cb -0.04 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 1a44 s LEU 67 CO -0.00 0.10 0.06 0.28 -1.32 0.00 0.00 176.35 175.47 1a44 s THR 68 N 0.59 0.08 -0.32 3.68 -1.32 -0.14 -0.62 115.64 117.59 1a44 s THR 68 Ca -0.14 -0.67 -0.02 0.00 -1.21 0.00 0.00 61.69 59.66 1a44 s THR 68 Cb -0.17 -0.31 0.06 0.00 -1.51 0.00 0.00 72.50 70.58 1a44 s THR 68 CO 0.04 -0.37 0.04 -0.62 -2.21 0.00 0.00 174.62 171.51 1a44 s ASP 69 N -1.18 4.95 0.03 8.08 2.15 -0.42 -0.63 116.67 129.65 1a44 s ASP 69 Ca -0.13 -1.48 0.25 0.00 0.43 0.00 0.00 52.55 51.62 1a44 s ASP 69 Cb -0.07 -1.73 1.03 0.00 -0.30 0.00 0.00 42.92 41.85 1a44 s ASP 69 CO 0.00 -0.32 1.79 -0.81 -0.17 0.00 0.00 175.17 175.66 1a44 n PRO 70 N 4.59 0.03 -1.92 4.34 -0.04 -1.25 -0.87 135.00 139.88 1a44 n PRO 70 Ca -0.10 0.10 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1a44 n PRO 70 Cb 0.43 -1.54 0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1a44 n PRO 70 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1a44 n ASP 71 N -1.59 6.22 -4.70 3.54 8.00 -1.26 -4.38 116.55 122.37 1a44 n ASP 71 Ca 0.06 -3.77 -0.36 0.00 0.71 0.00 0.00 54.79 51.42 1a44 n ASP 71 Cb 0.30 -0.71 -0.08 0.00 -0.02 0.00 0.00 41.12 40.61 1a44 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a44 s ALA 72 N -3.76 3.62 -0.33 2.24 0.00 -1.25 -0.90 121.76 121.37 1a44 s ALA 72 Ca 0.54 -0.63 0.27 0.00 0.00 0.00 0.00 51.96 52.14 1a44 s ALA 72 Cb 0.44 -2.35 0.86 0.00 0.00 0.00 0.00 23.12 22.08 1a44 s ALA 72 CO -0.13 -0.01 1.78 -1.00 0.00 0.00 0.00 175.76 176.40 1a44 h PRO 73 N 6.96 0.00 -3.51 0.00 0.13 -1.89 -1.37 132.00 132.32 1a44 h PRO 73 Ca -0.40 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 1a44 h PRO 73 Cb 1.16 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 1a44 h PRO 73 CO 0.73 0.00 -0.14 -1.54 -0.23 0.00 0.00 178.00 176.82 1a44 s SER 74 N -5.39 -0.14 0.31 1.44 1.04 -0.08 -4.54 113.70 106.34 1a44 s SER 74 Ca 0.05 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.10 1a44 s SER 74 Cb 0.08 0.45 0.50 0.00 0.10 0.00 0.00 66.02 67.15 1a44 s SER 74 CO 0.57 -0.85 1.74 -0.09 0.98 0.00 0.00 173.24 175.58 1a44 h ARG 75 N 2.44 0.28 0.00 4.02 2.43 -1.79 -2.27 114.38 119.49 1a44 h ARG 75 Ca -0.33 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 1a44 h ARG 75 Cb 1.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 1a44 h ARG 75 CO 0.48 0.59 -0.58 0.87 -1.51 0.00 0.00 179.97 179.83 1a44 h LYS 76 N 0.25 0.00 -2.26 0.20 1.57 -1.92 -3.36 116.57 111.04 1a44 h LYS 76 Ca 0.03 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.23 1a44 h LYS 76 Cb 0.72 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.64 1a44 h LYS 76 CO 0.05 0.58 -0.95 -3.47 -0.57 0.00 0.00 179.45 175.09 1a44 n ASP 77 N -3.53 0.59 -3.23 0.86 2.03 -1.12 -5.02 116.55 107.14 1a44 n ASP 77 Ca -0.00 -2.70 -0.37 0.00 0.52 0.00 0.00 54.79 52.24 1a44 n ASP 77 Cb 0.65 -0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 40.40 1a44 n ASP 77 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1a44 n PRO 78 N 1.95 3.87 0.27 -0.67 -0.04 -0.87 -3.63 135.00 135.87 1a44 n PRO 78 Ca 0.25 -2.64 0.17 0.00 -0.04 0.00 0.00 63.50 61.24 1a44 n PRO 78 Cb 0.48 -2.63 0.65 0.00 -0.04 0.00 0.00 33.50 31.97 1a44 n PRO 78 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1a44 h LYS 79 N 4.55 0.00 -0.55 0.54 2.10 -1.81 -1.69 116.57 119.70 1a44 h LYS 79 Ca 0.72 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.32 1a44 h LYS 79 Cb 0.41 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.71 1a44 h LYS 79 CO 1.48 0.00 0.06 0.66 -2.00 0.00 0.00 179.45 179.65 1a44 n TYR 80 N -3.07 1.94 -1.56 0.07 4.01 -0.52 -4.92 117.16 113.11 1a44 n TYR 80 Ca 0.01 -0.88 -0.56 0.00 -0.16 0.00 0.00 57.90 56.30 1a44 n TYR 80 Cb 0.32 -0.52 -0.07 0.00 -0.31 0.00 0.00 39.34 38.76 1a44 n TYR 80 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1a44 n ARG 81 N 0.20 0.54 -3.23 -0.72 0.63 -0.64 -1.62 116.66 111.82 1a44 n ARG 81 Ca 0.30 0.19 -0.34 0.00 -0.92 0.00 0.00 57.85 57.08 1a44 n ARG 81 Cb 1.18 -1.76 -0.06 0.00 0.45 0.00 0.00 32.46 32.27 1a44 n ARG 81 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1a44 s GLU 82 N 0.49 4.06 -0.46 -0.14 2.02 0.17 -3.77 118.70 121.07 1a44 s GLU 82 Ca 0.89 0.63 -0.14 0.00 0.02 0.00 0.00 54.97 56.38 1a44 s GLU 82 Cb -1.14 -2.76 0.07 0.00 0.10 0.00 0.00 34.13 30.40 1a44 s GLU 82 CO 0.54 0.36 0.36 -0.46 0.02 0.00 0.00 175.26 176.07 1a44 s TRP 83 N -1.65 3.27 -0.09 1.61 -0.00 -0.05 -0.17 118.94 121.87 1a44 s TRP 83 Ca 0.44 -1.09 -0.22 0.00 -0.00 0.00 0.00 56.10 55.24 1a44 s TRP 83 Cb -0.14 -3.11 -0.04 0.00 -0.00 0.00 0.00 33.47 30.19 1a44 s TRP 83 CO 0.20 -0.81 0.63 -3.38 -0.00 0.00 0.00 176.95 173.59 1a44 s HIS 84 N 1.58 3.55 -0.16 5.86 -3.43 -0.67 -1.30 115.29 120.73 1a44 s HIS 84 Ca 0.04 1.13 0.16 0.00 -0.80 0.00 0.00 55.06 55.58 1a44 s HIS 84 Cb -0.24 -2.73 -0.24 0.00 -1.43 0.00 0.00 32.58 27.94 1a44 s HIS 84 CO 0.05 0.10 0.21 0.72 -2.00 0.00 0.00 174.74 173.82 1a44 n HIS 85 N 3.79 0.26 -3.68 0.38 8.25 0.21 -4.88 115.22 119.54 1a44 n HIS 85 Ca -0.03 0.09 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 1a44 n HIS 85 Cb 0.51 -1.05 -0.09 0.00 1.12 0.00 0.00 29.99 30.49 1a44 n HIS 85 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1a44 s PHE 86 N -2.52 -0.70 -0.16 4.41 5.36 -0.95 -1.81 117.98 121.62 1a44 s PHE 86 Ca -0.10 1.55 -0.04 0.00 -0.96 0.00 0.00 56.93 57.38 1a44 s PHE 86 Cb 0.07 0.31 0.07 0.00 -0.34 0.00 0.00 43.02 43.13 1a44 s PHE 86 CO 0.82 -0.35 0.18 -1.17 -1.46 0.00 0.00 175.22 173.24 1a44 s LEU 87 N 0.87 -0.02 -0.04 6.12 2.96 -0.75 -0.75 118.68 127.06 1a44 s LEU 87 Ca -0.05 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1a44 s LEU 87 Cb -0.05 0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.89 1a44 s LEU 87 CO -0.07 -0.31 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.83 1a44 s VAL 88 N 2.29 1.15 0.33 1.68 1.01 -0.28 -1.12 120.40 125.46 1a44 s VAL 88 Ca 0.05 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1a44 s VAL 88 Cb -0.15 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 1a44 s VAL 88 CO -0.10 0.34 -0.06 0.68 0.00 0.00 0.00 175.10 175.97 1a44 s VAL 89 N 0.24 1.92 -1.53 2.92 -7.23 -0.27 0.07 120.40 116.52 1a44 s VAL 89 Ca -0.06 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 57.92 1a44 s VAL 89 Cb -0.12 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.19 1a44 s VAL 89 CO 0.02 -0.19 0.58 0.59 -0.31 0.00 0.00 175.10 175.79 1a44 n ASN 90 N -0.74 -5.84 -4.70 4.85 3.02 -1.03 -0.59 115.26 110.22 1a44 n ASN 90 Ca -0.05 -0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 53.79 1a44 n ASN 90 Cb 0.64 -4.73 -0.03 0.00 -0.61 0.00 0.00 39.78 35.05 1a44 n ASN 90 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1a44 s MET 91 N -5.72 4.48 -0.25 3.52 -2.45 -0.20 -4.23 119.30 114.44 1a44 s MET 91 Ca 0.31 1.49 -0.29 0.00 -1.25 0.00 0.00 55.69 55.95 1a44 s MET 91 Cb -0.14 -3.48 0.01 0.00 1.25 0.00 0.00 34.83 32.47 1a44 s MET 91 CO 0.38 -0.19 1.11 0.15 1.05 0.00 0.00 175.02 177.52 1a44 s LYS 92 N 1.41 4.17 6.09 4.11 1.02 -1.26 -0.71 119.74 134.57 1a44 s LYS 92 Ca 0.52 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.82 1a44 s LYS 92 Cb -0.22 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 1a44 s LYS 92 CO 0.25 -0.77 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1a44 n GLY 93 N 3.62 3.17 1.78 -3.33 0.00 -0.32 -1.36 105.19 108.74 1a44 n GLY 93 Ca 0.13 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1a44 n GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a44 n ASN 94 N 2.83 5.02 -4.48 1.61 6.94 -1.26 -4.70 115.26 121.22 1a44 n ASN 94 Ca 0.00 -3.10 -0.43 0.00 -0.02 0.00 0.00 54.58 51.03 1a44 n ASN 94 Cb 0.00 -0.69 -0.02 0.00 -2.36 0.00 0.00 39.78 36.71 1a44 n ASN 94 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1a44 s ASN 95 N -1.12 6.69 0.28 0.53 3.04 -0.46 -4.67 114.94 119.23 1a44 s ASN 95 Ca 0.53 -2.11 0.02 0.00 0.04 0.00 0.00 52.86 51.33 1a44 s ASN 95 Cb 0.42 -2.44 0.62 0.00 -1.54 0.00 0.00 41.25 38.30 1a44 s ASN 95 CO 0.13 -1.10 1.77 0.40 -3.04 0.00 0.00 177.10 175.26 1a44 h ILE 96 N 5.81 0.71 0.00 -5.21 2.04 -1.90 0.96 117.51 119.92 1a44 h ILE 96 Ca 0.21 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1a44 h ILE 96 Cb 0.99 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1a44 h ILE 96 CO 1.21 0.12 0.00 0.77 0.00 0.00 0.00 178.15 180.26 1a44 h SER 97 N 0.68 0.00 1.52 1.72 4.64 -1.97 -1.63 113.55 118.51 1a44 h SER 97 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1a44 h SER 97 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1a44 h SER 97 CO -0.38 0.00 -0.07 0.77 -0.87 0.00 0.00 176.83 176.28 1a44 h SER 98 N 0.00 0.00 -4.07 4.97 4.64 -1.16 -3.47 113.55 114.45 1a44 h SER 98 Ca 0.00 -0.02 -0.45 0.00 -0.47 0.00 0.00 61.79 60.85 1a44 h SER 98 Cb 0.14 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.38 1a44 h SER 98 CO 0.00 0.01 0.28 -0.83 -0.87 0.00 0.00 176.83 175.42 1a44 s GLY 99 N -3.73 1.60 -0.36 -0.77 0.00 -0.61 -4.64 107.32 98.81 1a44 s GLY 99 Ca 0.09 -0.67 -0.15 0.00 0.00 0.00 0.00 44.72 43.99 1a44 s GLY 99 CO 0.63 -0.03 0.33 -1.59 0.00 0.00 0.00 173.10 172.43 1a44 s THR 100 N -3.30 5.20 -0.67 0.90 2.01 0.24 -4.93 115.64 115.09 1a44 s THR 100 Ca 0.66 -0.13 -0.27 0.00 0.31 0.00 0.00 61.69 62.26 1a44 s THR 100 Cb -0.13 -3.83 0.04 0.00 0.01 0.00 0.00 72.50 68.59 1a44 s THR 100 CO 0.54 -0.13 1.19 -0.69 -0.69 0.00 0.00 174.62 174.84 1a44 s VAL 101 N 1.92 3.94 0.14 3.82 1.01 -1.26 -1.12 120.40 128.85 1a44 s VAL 101 Ca 0.10 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 1a44 s VAL 101 Cb -0.17 -4.80 -0.17 0.00 0.00 0.00 0.00 36.38 31.24 1a44 s VAL 101 CO 0.11 -1.59 1.33 -0.07 0.00 0.00 0.00 175.10 174.88 1a44 h LEU 102 N 12.32 0.46 -7.00 3.92 3.38 -1.48 -3.44 115.31 123.47 1a44 h LEU 102 Ca -0.27 -0.37 -0.52 0.00 0.09 0.00 0.00 57.88 56.82 1a44 h LEU 102 Cb 1.06 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 41.26 1a44 h LEU 102 CO 1.22 1.16 -0.77 -0.44 0.09 0.00 0.00 178.44 179.71 1a44 s SER 103 N -7.04 3.16 0.73 -0.43 0.01 -0.92 -0.05 113.70 109.16 1a44 s SER 103 Ca -0.05 -1.07 -0.14 0.00 1.31 0.00 0.00 55.95 56.00 1a44 s SER 103 Cb 0.09 -0.44 0.04 0.00 0.21 0.00 0.00 66.02 65.92 1a44 s SER 103 CO 0.86 -0.39 1.16 -0.62 0.41 0.00 0.00 173.24 174.66 1a44 s ASP 104 N 2.00 4.39 0.11 2.44 -1.08 -0.37 -1.82 116.67 122.34 1a44 s ASP 104 Ca 0.05 2.20 -0.31 0.00 -0.52 0.00 0.00 52.55 53.97 1a44 s ASP 104 Cb -0.16 -2.57 -0.09 0.00 -1.46 0.00 0.00 42.92 38.63 1a44 s ASP 104 CO -0.22 -2.12 1.61 -0.47 0.52 0.00 0.00 175.17 174.49 1a44 s TYR 105 N -2.21 2.71 -0.17 -5.34 5.04 -1.26 -4.48 117.35 111.65 1a44 s TYR 105 Ca 0.70 0.46 0.01 0.00 -2.44 0.00 0.00 57.07 55.80 1a44 s TYR 105 Cb -0.25 -3.95 0.02 0.00 0.35 0.00 0.00 41.96 38.13 1a44 s TYR 105 CO 0.46 -3.67 -0.19 0.08 -1.34 0.00 0.00 175.55 170.89 1a44 s VAL 106 N 1.96 1.96 1.31 3.14 1.01 -0.75 -4.76 120.40 124.27 1a44 s VAL 106 Ca 0.72 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 1a44 s VAL 106 Cb -0.42 -1.78 0.34 0.00 0.00 0.00 0.00 36.38 34.52 1a44 s VAL 106 CO 0.32 0.52 0.82 0.61 0.00 0.00 0.00 175.10 177.37 1a44 n GLY 107 N 4.59 -3.77 3.69 4.51 0.00 -1.26 -4.79 105.19 108.16 1a44 n GLY 107 Ca -0.20 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1a44 n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a44 s SER 108 N -3.18 6.95 -0.43 1.61 0.01 -1.26 -4.95 113.70 112.45 1a44 s SER 108 Ca 0.61 1.99 0.10 0.00 1.31 0.00 0.00 55.95 59.97 1a44 s SER 108 Cb -0.10 -2.56 0.39 0.00 0.21 0.00 0.00 66.02 63.96 1a44 s SER 108 CO 0.51 -0.64 0.94 0.61 0.41 0.00 0.00 173.24 175.07 1a44 n GLY 109 N 3.48 4.16 3.72 3.44 0.00 -1.26 -4.67 105.19 114.07 1a44 n GLY 109 Ca 0.12 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1a44 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a44 s PRO 110 N -3.15 4.20 0.38 1.61 0.04 -1.26 -4.93 135.00 131.89 1a44 s PRO 110 Ca 0.41 2.40 -0.28 0.00 0.04 0.00 0.00 61.00 63.57 1a44 s PRO 110 Cb 0.38 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 1a44 s PRO 110 CO -0.09 -0.63 1.44 -2.14 0.04 0.00 0.00 177.00 175.62 1a44 s PRO 111 N 1.18 4.09 0.22 0.56 0.02 -1.26 -4.00 135.00 135.82 1a44 s PRO 111 Ca 0.71 2.47 -0.32 0.00 0.02 0.00 0.00 61.00 63.88 1a44 s PRO 111 Cb -0.45 -2.94 -0.14 0.00 0.02 0.00 0.00 34.50 31.00 1a44 s PRO 111 CO 0.31 -0.50 1.42 1.17 -0.33 0.00 0.00 177.00 179.07 1a44 n LYS 112 N 0.42 2.00 -0.44 5.54 4.81 -1.26 -1.81 118.16 127.43 1a44 n LYS 112 Ca 0.01 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1a44 n LYS 112 Cb 0.40 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1a44 n LYS 112 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a44 n GLY 113 N 2.32 1.01 0.89 3.14 0.00 -1.26 -4.89 105.19 106.40 1a44 n GLY 113 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1a44 n GLY 113 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a44 n THR 114 N -2.00 0.27 -4.51 2.61 -2.24 -0.75 -5.06 114.28 102.59 1a44 n THR 114 Ca 0.00 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1a44 n THR 114 Cb 0.00 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1a44 n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a44 n GLY 115 N 1.34 -0.65 3.70 3.38 0.00 -1.26 -4.53 105.19 107.18 1a44 n GLY 115 Ca 0.17 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1a44 n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a44 s LEU 116 N 0.00 4.34 0.08 0.99 1.43 -1.26 -4.36 118.68 119.90 1a44 s LEU 116 Ca 0.00 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.02 1a44 s LEU 116 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1a44 s LEU 116 CO 0.00 -0.47 0.13 -1.00 0.23 0.00 0.00 176.35 175.24 1a44 s HIS 117 N 1.39 3.30 0.00 0.29 3.76 -0.22 -4.67 115.29 119.15 1a44 s HIS 117 Ca 0.57 0.13 -0.25 0.00 -0.15 0.00 0.00 55.06 55.36 1a44 s HIS 117 Cb -0.27 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 1a44 s HIS 117 CO 0.27 0.54 0.75 1.03 -0.85 0.00 0.00 174.74 176.48 1a44 s ARG 118 N -2.46 4.47 -0.22 1.40 0.52 -1.26 -1.98 118.95 119.42 1a44 s ARG 118 Ca 0.31 1.01 0.01 0.00 -0.52 0.00 0.00 55.73 56.55 1a44 s ARG 118 Cb -0.12 -3.40 0.03 0.00 0.52 0.00 0.00 34.95 31.98 1a44 s ARG 118 CO 0.24 0.19 -0.13 0.71 0.02 0.00 0.00 175.30 176.33 1a44 s TYR 119 N 0.30 3.02 -0.19 -0.53 2.02 0.90 -3.89 117.35 118.97 1a44 s TYR 119 Ca 0.39 -1.83 -0.04 0.00 -0.37 0.00 0.00 57.07 55.22 1a44 s TYR 119 Cb -0.19 -1.96 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 1a44 s TYR 119 CO 0.21 -0.81 -0.03 0.08 -1.57 0.00 0.00 175.55 173.44 1a44 s VAL 120 N 1.24 3.69 -0.16 0.71 1.01 0.20 -1.58 120.40 125.52 1a44 s VAL 120 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1a44 s VAL 120 Cb -0.16 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 1a44 s VAL 120 CO -0.08 0.45 0.21 0.26 0.00 0.00 0.00 175.10 175.94 1a44 s TRP 121 N 0.96 3.49 0.00 5.22 0.52 -0.44 -0.97 118.94 127.71 1a44 s TRP 121 Ca 0.00 0.51 0.00 0.00 0.02 0.00 0.00 56.10 56.63 1a44 s TRP 121 Cb -0.15 -2.19 -0.00 0.00 -1.15 0.00 0.00 33.47 29.98 1a44 s TRP 121 CO 0.01 0.38 -0.02 -0.51 0.02 0.00 0.00 176.95 176.83 1a44 s LEU 122 N 0.04 2.05 -0.07 2.99 2.01 -0.25 -1.32 118.68 124.12 1a44 s LEU 122 Ca 0.13 -0.12 0.04 0.00 0.01 0.00 0.00 54.13 54.19 1a44 s LEU 122 Cb -0.12 -0.04 0.00 0.00 0.01 0.00 0.00 46.19 46.04 1a44 s LEU 122 CO 0.02 -0.04 -0.18 -0.69 1.01 0.00 0.00 176.35 176.47 1a44 s VAL 123 N -0.30 1.60 -0.08 -1.59 1.01 0.18 -0.88 120.40 120.34 1a44 s VAL 123 Ca -0.02 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1a44 s VAL 123 Cb -0.02 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1a44 s VAL 123 CO -0.00 0.46 -0.23 -0.31 0.00 0.00 0.00 175.10 175.01 1a44 s TYR 124 N 0.37 2.37 0.09 5.22 2.02 -0.43 -0.90 117.35 126.08 1a44 s TYR 124 Ca -0.13 -0.84 -0.30 0.00 -0.37 0.00 0.00 57.07 55.42 1a44 s TYR 124 Cb -0.16 -1.58 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 1a44 s TYR 124 CO 0.05 -0.31 1.01 -2.00 -1.57 0.00 0.00 175.55 172.73 1a44 s GLU 125 N 0.13 4.62 0.30 -0.62 2.12 -1.26 -0.90 118.70 123.09 1a44 s GLU 125 Ca -0.11 1.51 0.06 0.00 0.36 0.00 0.00 54.97 56.78 1a44 s GLU 125 Cb -0.16 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 1a44 s GLU 125 CO 0.06 0.08 0.43 -0.65 -0.54 0.00 0.00 175.26 174.64 1a44 s GLN 126 N 0.31 3.27 0.12 4.30 -0.21 -0.17 -4.70 119.66 122.58 1a44 s GLN 126 Ca 0.50 -0.87 0.19 0.00 0.02 0.00 0.00 55.36 55.19 1a44 s GLN 126 Cb -0.24 -2.84 -0.08 0.00 1.00 0.00 0.00 33.01 30.85 1a44 s GLN 126 CO 0.30 0.21 0.93 1.49 -2.12 0.00 0.00 175.29 176.10 1a44 h GLU 127 N 0.99 0.00 0.00 2.91 4.81 -1.96 -3.41 114.58 117.92 1a44 h GLU 127 Ca -0.49 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1a44 h GLU 127 Cb 1.24 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1a44 h GLU 127 CO 0.57 0.19 0.23 0.41 -0.73 0.00 0.00 179.01 179.68 1a44 n GLY 128 N 1.31 0.73 3.73 1.92 0.00 -1.26 -5.02 105.19 106.60 1a44 n GLY 128 Ca -0.06 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1a44 n GLY 128 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a44 n PRO 129 N -0.25 2.37 -3.51 1.61 -0.02 -1.26 -4.95 135.00 129.00 1a44 n PRO 129 Ca 0.01 0.83 -0.34 0.00 -2.02 0.00 0.00 63.50 61.98 1a44 n PRO 129 Cb 0.17 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 1a44 n PRO 129 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1a44 s LEU 130 N -1.34 4.32 -0.35 2.45 1.43 -1.26 -5.07 118.68 118.85 1a44 s LEU 130 Ca 0.56 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1a44 s LEU 130 Cb -0.53 -3.15 0.08 0.00 0.03 0.00 0.00 46.19 42.63 1a44 s LEU 130 CO 0.62 0.12 0.09 -1.59 0.23 0.00 0.00 176.35 175.82 1a44 s LYS 131 N -2.06 2.11 0.18 1.70 -2.85 -1.26 -4.94 119.74 112.62 1a44 s LYS 131 Ca 0.36 -1.59 0.04 0.00 -1.00 0.00 0.00 55.97 53.79 1a44 s LYS 131 Cb -0.14 -3.35 -0.04 0.00 -2.06 0.00 0.00 37.83 32.24 1a44 s LYS 131 CO 0.19 -0.86 0.23 0.00 0.10 0.00 0.00 175.35 175.01 1a44 n ASP 133 N -0.65 3.04 -4.77 0.00 5.75 -1.26 -5.00 116.55 113.67 1a44 n ASP 133 Ca -0.08 -2.34 -0.36 0.00 -0.01 0.00 0.00 54.79 52.00 1a44 n ASP 133 Cb 0.55 -0.30 -0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1a44 n ASP 133 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1a44 s GLU 134 N -1.60 3.56 0.65 0.11 8.01 -1.26 -5.00 118.70 123.18 1a44 s GLU 134 Ca 0.26 1.70 -0.17 0.00 0.01 0.00 0.00 54.97 56.77 1a44 s GLU 134 Cb 0.17 -2.22 -0.00 0.00 -4.31 0.00 0.00 34.13 27.77 1a44 s GLU 134 CO 0.11 -0.70 1.20 -1.25 0.01 0.00 0.00 175.26 174.63 1a44 s PRO 135 N -2.98 2.64 -0.35 0.39 0.04 -1.26 -4.96 135.00 128.52 1a44 s PRO 135 Ca 0.68 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 63.27 1a44 s PRO 135 Cb -0.26 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1a44 s PRO 135 CO 0.31 -1.45 0.66 0.42 0.04 0.00 0.00 177.00 176.99 1a44 s ILE 136 N -1.82 4.86 -0.17 0.56 -1.09 -1.26 -4.76 121.20 117.52 1a44 s ILE 136 Ca 0.75 0.66 -0.08 0.00 -2.23 0.00 0.00 60.65 59.75 1a44 s ILE 136 Cb -0.29 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 1a44 s ILE 136 CO 0.39 -0.32 0.10 -0.76 -1.23 0.00 0.00 174.94 173.11 1a44 s LEU 137 N 2.77 4.06 0.83 2.97 1.43 0.93 -5.00 118.68 126.66 1a44 s LEU 137 Ca 0.26 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1a44 s LEU 137 Cb -0.14 -2.02 0.11 0.00 0.03 0.00 0.00 46.19 44.16 1a44 s LEU 137 CO 0.15 0.24 1.18 -0.94 0.23 0.00 0.00 176.35 177.20 1a44 s SER 138 N 0.02 4.20 -0.26 2.29 1.04 -1.26 -1.24 113.70 118.48 1a44 s SER 138 Ca 0.08 0.55 0.11 0.00 0.48 0.00 0.00 55.95 57.17 1a44 s SER 138 Cb -0.12 -0.95 0.74 0.00 0.10 0.00 0.00 66.02 65.80 1a44 s SER 138 CO 0.00 -2.06 1.71 -0.46 0.98 0.00 0.00 173.24 173.41 1a44 n ASN 139 N -3.34 5.12 -1.11 7.02 0.23 -1.26 -4.11 115.26 117.79 1a44 n ASN 139 Ca 0.10 -3.00 0.08 0.00 -0.53 0.00 0.00 54.58 51.23 1a44 n ASN 139 Cb 0.60 -0.71 0.29 0.00 -2.08 0.00 0.00 39.78 37.88 1a44 n ASN 139 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1a44 n ARG 140 N 0.26 3.37 -3.61 -3.83 1.74 -1.26 -4.52 116.66 108.81 1a44 n ARG 140 Ca 0.32 -2.83 -0.16 0.00 -0.77 0.00 0.00 57.85 54.41 1a44 n ARG 140 Cb 1.24 -1.87 -0.07 0.00 -1.02 0.00 0.00 32.46 30.73 1a44 n ARG 140 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1a44 s SER 141 N -1.54 -0.52 0.00 0.55 0.15 -1.25 -2.74 113.70 108.36 1a44 s SER 141 Ca 0.43 0.59 0.24 0.00 0.70 0.00 0.00 55.95 57.91 1a44 s SER 141 Cb 0.33 0.55 0.72 0.00 -1.71 0.00 0.00 66.02 65.92 1a44 s SER 141 CO 0.12 -0.52 1.55 0.61 1.20 0.00 0.00 173.24 176.20 1a44 n GLY 142 N 1.23 0.50 3.71 9.45 0.00 -1.23 -4.87 105.19 113.98 1a44 n GLY 142 Ca -0.19 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1a44 n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a44 n ASP 143 N 0.58 3.32 -1.42 1.61 8.00 -1.26 -2.46 116.55 124.92 1a44 n ASP 143 Ca 0.17 1.14 -0.19 0.00 0.71 0.00 0.00 54.79 56.63 1a44 n ASP 143 Cb 0.41 -1.51 -0.08 0.00 -0.02 0.00 0.00 41.12 39.92 1a44 n ASP 143 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1a44 n HIS 144 N 2.16 0.00 0.01 1.24 8.25 -1.26 -4.88 115.22 120.74 1a44 n HIS 144 Ca 0.11 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.41 1a44 n HIS 144 Cb 0.34 -3.18 -0.14 0.00 1.12 0.00 0.00 29.99 28.13 1a44 n HIS 144 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a44 h ARG 145 N 0.00 0.16 -7.35 -0.41 2.47 -1.82 -3.48 114.38 103.96 1a44 h ARG 145 Ca -0.38 -0.28 -0.49 0.00 -1.26 0.00 0.00 59.98 57.58 1a44 h ARG 145 Cb 1.23 0.10 0.07 0.00 -1.65 0.00 0.00 29.97 29.72 1a44 h ARG 145 CO 0.56 0.92 0.34 0.20 0.56 0.00 0.00 179.97 182.55 1a44 s GLY 146 N -5.25 1.62 -1.48 0.04 0.00 -1.26 -1.67 107.32 99.32 1a44 s GLY 146 Ca -0.12 -0.43 -0.00 0.00 0.00 0.00 0.00 44.72 44.17 1a44 s GLY 146 CO 0.81 -0.10 0.06 0.28 0.00 0.00 0.00 173.10 174.16 1a44 n LYS 147 N -2.84 -1.73 -2.91 2.90 4.76 -0.38 -4.89 118.16 113.07 1a44 n LYS 147 Ca 0.06 0.84 -0.34 0.00 -2.87 0.00 0.00 58.31 56.00 1a44 n LYS 147 Cb 0.57 -5.33 -0.07 0.00 -1.84 0.00 0.00 35.03 28.36 1a44 n LYS 147 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1a44 s PHE 148 N -2.90 3.46 -0.29 2.13 5.36 0.76 -4.63 117.98 121.86 1a44 s PHE 148 Ca 0.03 1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 57.53 1a44 s PHE 148 Cb -0.01 -2.77 0.09 0.00 -0.34 0.00 0.00 43.02 39.99 1a44 s PHE 148 CO 0.04 0.07 0.08 0.15 -1.46 0.00 0.00 175.22 174.10 1a44 s LYS 149 N -2.72 0.75 0.35 10.12 -0.14 -1.26 -0.66 119.74 126.18 1a44 s LYS 149 Ca 0.55 -0.99 0.06 0.00 -1.36 0.00 0.00 55.97 54.23 1a44 s LYS 149 Cb -0.13 -2.03 0.72 0.00 -1.68 0.00 0.00 37.83 34.72 1a44 s LYS 149 CO 0.17 -0.93 1.93 -0.24 -0.76 0.00 0.00 175.35 175.52 1a44 h VAL 150 N 6.50 0.98 -0.14 3.17 3.04 -1.97 -0.38 116.25 127.46 1a44 h VAL 150 Ca -0.14 -0.27 -0.08 0.00 -1.01 0.00 0.00 66.70 65.20 1a44 h VAL 150 Cb 1.03 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1a44 h VAL 150 CO 0.45 0.14 -0.25 0.00 -1.01 0.00 0.00 177.57 176.90 1a44 h ALA 151 N 1.58 1.32 -0.11 3.17 0.00 -1.96 0.12 119.26 123.39 1a44 h ALA 151 Ca 0.36 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1a44 h ALA 151 Cb 0.37 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1a44 h ALA 151 CO -0.14 0.46 -0.44 0.77 0.00 0.00 0.00 179.25 179.90 1a44 h SER 152 N 0.22 0.58 -0.15 0.00 0.02 -1.50 -2.17 113.55 110.55 1a44 h SER 152 Ca 0.04 -0.62 0.04 0.00 -0.84 0.00 0.00 61.79 60.40 1a44 h SER 152 Cb 0.57 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1a44 h SER 152 CO 0.04 1.11 -0.12 0.15 -1.14 0.00 0.00 176.83 176.87 1a44 h PHE 153 N 0.09 -0.30 -0.08 3.45 3.57 -0.80 -0.01 116.94 122.87 1a44 h PHE 153 Ca -0.02 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1a44 h PHE 153 Cb 1.08 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1a44 h PHE 153 CO 0.11 -0.18 -0.44 0.07 -2.23 0.00 0.00 178.31 175.65 1a44 h ARG 154 N -0.13 0.17 -0.03 1.11 -0.00 -0.78 -2.70 114.38 112.02 1a44 h ARG 154 Ca 0.10 -0.08 -0.16 0.00 -0.00 0.00 0.00 59.98 59.83 1a44 h ARG 154 Cb 0.27 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.23 1a44 h ARG 154 CO -0.23 0.58 -0.72 0.87 -0.00 0.00 0.00 179.97 180.47 1a44 h LYS 155 N 0.14 0.17 -0.97 0.08 1.57 -1.18 0.88 116.57 117.28 1a44 h LYS 155 Ca 0.01 -0.15 0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1a44 h LYS 155 Cb 0.83 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.10 1a44 h LYS 155 CO 0.06 0.82 0.61 -0.22 -0.57 0.00 0.00 179.45 180.15 1a44 h LYS 156 N 0.12 1.02 -0.67 3.15 3.64 -0.69 -1.12 116.57 122.02 1a44 h LYS 156 Ca -0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1a44 h LYS 156 Cb 1.27 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1a44 h LYS 156 CO 0.11 0.67 0.02 0.66 -2.27 0.00 0.00 179.45 178.64 1a44 n TYR 157 N -4.58 1.76 -3.35 1.91 4.01 -1.08 -4.92 117.16 110.91 1a44 n TYR 157 Ca 0.16 -0.64 -0.24 0.00 -0.16 0.00 0.00 57.90 57.02 1a44 n TYR 157 Cb 0.25 -0.46 0.04 0.00 -0.31 0.00 0.00 39.34 38.86 1a44 n TYR 157 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1a44 n GLU 158 N 0.46 -5.60 -3.56 -0.72 1.02 -0.42 -4.98 120.64 106.84 1a44 n GLU 158 Ca 0.24 0.79 -0.33 0.00 -0.02 0.00 0.00 57.16 57.83 1a44 n GLU 158 Cb 1.05 -5.69 -0.05 0.00 -0.02 0.00 0.00 31.44 26.73 1a44 n GLU 158 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a44 s LEU 159 N -6.91 4.28 0.00 -4.62 1.43 0.28 -5.01 118.68 108.13 1a44 s LEU 159 Ca 0.44 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1a44 s LEU 159 Cb -0.21 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1a44 s LEU 159 CO 0.55 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.81 1a44 n GLY 160 N 0.39 -0.61 3.67 -3.19 0.00 -1.26 -4.43 105.19 99.76 1a44 n GLY 160 Ca -0.04 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 1a44 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a44 n ALA 161 N -3.00 0.56 -1.70 4.61 0.00 -1.26 -4.88 120.51 114.83 1a44 n ALA 161 Ca 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 1a44 n ALA 161 Cb 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.22 1a44 n ALA 161 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1a44 n PRO 162 N -1.77 2.17 0.13 0.00 -0.02 -1.26 -4.79 135.00 129.46 1a44 n PRO 162 Ca 0.15 0.76 0.02 0.00 -2.02 0.00 0.00 63.50 62.41 1a44 n PRO 162 Cb 0.48 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1a44 n PRO 162 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1a44 h VAL 163 N 2.63 0.92 -2.92 -1.45 -1.51 -1.36 -2.21 116.25 110.34 1a44 h VAL 163 Ca -0.46 -2.31 -0.11 0.00 -1.23 0.00 0.00 66.70 62.59 1a44 h VAL 163 Cb 1.28 2.44 -0.20 0.00 -2.13 0.00 0.00 31.29 32.68 1a44 h VAL 163 CO 0.64 0.52 -0.21 0.00 -1.23 0.00 0.00 177.57 177.30 1a44 s ALA 164 N -2.94 -0.91 0.01 5.19 0.00 -1.14 -1.36 121.76 120.62 1a44 s ALA 164 Ca 0.03 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 1a44 s ALA 164 Cb 0.08 0.10 0.10 0.00 0.00 0.00 0.00 23.12 23.39 1a44 s ALA 164 CO 0.76 -0.29 0.94 0.20 0.00 0.00 0.00 175.76 177.37 1a44 s GLY 165 N -1.39 -0.40 0.39 0.00 0.00 -0.71 -0.64 107.32 104.56 1a44 s GLY 165 Ca -0.12 0.87 -0.13 0.00 0.00 0.00 0.00 44.72 45.34 1a44 s GLY 165 CO 0.04 0.28 0.74 -1.08 0.00 0.00 0.00 173.10 173.07 1a44 s THR 166 N -3.07 0.00 -0.10 0.90 -1.32 -0.44 -1.37 115.64 110.24 1a44 s THR 166 Ca 0.07 -1.12 -0.07 0.00 -1.21 0.00 0.00 61.69 59.37 1a44 s THR 166 Cb -0.01 -2.89 0.04 0.00 -1.51 0.00 0.00 72.50 68.13 1a44 s THR 166 CO -0.06 0.00 0.25 0.00 -2.21 0.00 0.00 174.62 172.60 1a44 s TYR 168 N 0.80 2.57 0.23 0.00 1.13 -0.62 0.20 117.35 121.65 1a44 s TYR 168 Ca -0.05 -0.25 0.09 0.00 -1.41 0.00 0.00 57.07 55.45 1a44 s TYR 168 Cb -0.07 -1.17 -0.04 0.00 -1.10 0.00 0.00 41.96 39.58 1a44 s TYR 168 CO -0.05 0.61 -0.06 -0.65 -2.51 0.00 0.00 175.55 172.89 1a44 s GLN 169 N -3.35 2.14 -0.14 -3.49 -0.21 -0.04 -0.07 119.66 114.49 1a44 s GLN 169 Ca 0.29 -1.37 -0.23 0.00 0.02 0.00 0.00 55.36 54.06 1a44 s GLN 169 Cb -0.07 -2.13 0.06 0.00 1.00 0.00 0.00 33.01 31.87 1a44 s GLN 169 CO 0.17 0.40 0.59 0.00 -2.12 0.00 0.00 175.29 174.32 1a44 s ALA 170 N -2.05 -1.48 0.34 6.09 0.00 -0.84 -0.83 121.76 123.00 1a44 s ALA 170 Ca 0.28 1.40 0.04 0.00 0.00 0.00 0.00 51.96 53.69 1a44 s ALA 170 Cb -0.07 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.43 1a44 s ALA 170 CO 0.17 -0.31 0.05 -1.83 0.00 0.00 0.00 175.76 173.85 1a44 s GLU 171 N -0.35 1.71 0.53 0.00 -1.05 -1.26 -1.05 118.70 117.22 1a44 s GLU 171 Ca -0.05 -1.96 -0.19 0.00 -0.15 0.00 0.00 54.97 52.62 1a44 s GLU 171 Cb -0.03 -0.98 -0.09 0.00 -0.44 0.00 0.00 34.13 32.58 1a44 s GLU 171 CO 0.04 -0.18 0.57 1.87 0.95 0.00 0.00 175.26 178.51 1a44 n TRP 172 N -0.74 -0.51 -4.15 4.83 -0.00 -1.26 -4.34 117.44 111.28 1a44 n TRP 172 Ca -0.03 0.48 -0.16 0.00 -0.00 0.00 0.00 57.50 57.79 1a44 n TRP 172 Cb 0.67 -1.98 -0.05 0.00 -0.00 0.00 0.00 31.31 29.95 1a44 n TRP 172 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 1a44 s ASP 173 N -1.10 1.22 0.00 5.87 1.47 -1.26 -4.94 116.67 117.94 1a44 s ASP 173 Ca 0.67 -1.60 0.26 0.00 1.18 0.00 0.00 52.55 53.06 1a44 s ASP 173 Cb -0.48 0.65 1.53 0.00 -0.34 0.00 0.00 42.92 44.27 1a44 s ASP 173 CO 0.55 -1.26 1.91 -0.90 0.68 0.00 0.00 175.17 176.15 1a44 n ASP 174 N -1.55 0.00 0.13 2.11 5.68 -1.26 -1.59 116.55 120.07 1a44 n ASP 174 Ca 0.03 -0.73 0.05 0.00 -0.50 0.00 0.00 54.79 53.64 1a44 n ASP 174 Cb 0.62 -0.03 0.03 0.00 -1.14 0.00 0.00 41.12 40.59 1a44 n ASP 174 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1a44 h TYR 175 N 0.00 0.00 -0.84 2.11 3.20 -1.96 -3.39 116.97 116.09 1a44 h TYR 175 Ca 0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1a44 h TYR 175 Cb 0.03 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.23 1a44 h TYR 175 CO 0.00 0.33 0.50 0.28 -1.64 0.00 0.00 178.16 177.63 1a44 h VAL 176 N 0.00 0.96 -0.99 1.81 2.07 -1.64 0.61 116.25 119.07 1a44 h VAL 176 Ca -0.04 -0.29 0.14 0.00 0.82 0.00 0.00 66.70 67.33 1a44 h VAL 176 Cb 1.28 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 1a44 h VAL 176 CO 0.04 0.16 0.62 -0.65 0.02 0.00 0.00 177.57 177.76 1a44 h PRO 177 N 0.86 0.88 -0.17 1.57 0.11 -1.78 -0.81 132.00 132.66 1a44 h PRO 177 Ca 0.39 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.36 1a44 h PRO 177 Cb 0.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1a44 h PRO 177 CO -0.22 0.58 -0.30 0.87 -0.21 0.00 0.00 178.00 178.73 1a44 h LYS 178 N 0.90 0.32 -0.38 1.05 1.57 -1.14 -1.43 116.57 117.47 1a44 h LYS 178 Ca 0.51 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 59.11 1a44 h LYS 178 Cb 0.62 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1a44 h LYS 178 CO -0.29 0.59 0.01 1.25 -0.57 0.00 0.00 179.45 180.45 1a44 h LEU 179 N 0.28 0.64 -1.39 2.94 5.85 -1.04 -1.28 115.31 121.31 1a44 h LEU 179 Ca 0.04 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1a44 h LEU 179 Cb 0.67 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1a44 h LEU 179 CO 0.05 0.78 0.18 1.88 -0.34 0.00 0.00 178.44 180.99 1a44 h TYR 180 N 0.48 0.58 -0.68 1.25 -1.99 -1.01 -1.24 116.97 114.37 1a44 h TYR 180 Ca 0.11 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.87 1a44 h TYR 180 Cb 0.44 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.94 1a44 h TYR 180 CO 0.03 0.45 0.40 0.93 -0.00 0.00 0.00 178.16 179.98 1a44 h GLU 181 N 0.59 0.74 -0.62 4.88 5.08 -0.91 -1.66 114.58 122.69 1a44 h GLU 181 Ca 0.15 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1a44 h GLU 181 Cb 0.10 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1a44 h GLU 181 CO -0.02 0.49 0.37 0.37 -1.00 0.00 0.00 179.01 179.22 1a44 h GLN 182 N 0.76 0.69 0.00 2.33 4.15 -0.33 -2.03 115.11 120.69 1a44 h GLN 182 Ca 0.29 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1a44 h GLN 182 Cb 0.10 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1a44 h GLN 182 CO -0.14 0.46 0.00 1.28 -1.93 0.00 0.00 178.83 178.50 1a44 n LEU 183 N -4.75 0.21 -0.34 -2.39 4.77 -0.56 -2.08 117.00 111.87 1a44 n LEU 183 Ca 0.06 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1a44 n LEU 183 Cb 0.10 -0.49 0.34 0.00 -2.33 0.00 0.00 43.42 41.04 1a44 n LEU 183 CO 0.32 -0.21 0.63 -1.54 -1.33 0.00 0.00 177.39 175.26 1a44 n SER 184 N -1.72 1.29 0.00 -1.43 3.41 -0.66 -3.48 113.62 111.04 1a44 n SER 184 Ca 0.05 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1a44 n SER 184 Cb 0.27 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1a44 n SER 184 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49