#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m82 n PHE 4 N 0.00 0.00 -3.40 1.38 -1.74 -1.26 -4.97 117.46 107.47 3m82 n PHE 4 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.88 3m82 n PHE 4 Cb 0.00 -0.08 0.00 0.00 1.52 0.00 0.00 39.48 40.92 3m82 n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3m82 n ASP 5 N -0.94 0.87 -4.71 5.98 -0.08 -1.26 -5.08 116.55 111.33 3m82 n ASP 5 Ca 0.07 -1.10 -0.41 0.00 -1.51 0.00 0.00 54.79 51.84 3m82 n ASP 5 Cb 0.37 -0.01 0.01 0.00 2.34 0.00 0.00 41.12 43.83 3m82 n ASP 5 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3m82 n LEU 6 N 0.00 3.99 -4.54 -2.67 4.77 -1.26 -4.96 117.00 112.33 3m82 n LEU 6 Ca 0.00 1.14 -0.37 0.00 -0.03 0.00 0.00 56.01 56.76 3m82 n LEU 6 Cb 0.03 -1.51 0.07 0.00 -2.33 0.00 0.00 43.42 39.68 3m82 n LEU 6 CO 0.02 -0.53 0.30 -2.65 -1.33 0.00 0.00 177.39 173.20 3m82 n PRO 7 N 0.20 0.50 -0.36 3.23 -0.02 -1.26 -4.61 135.00 132.68 3m82 n PRO 7 Ca 0.06 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 3m82 n PRO 7 Cb 0.39 -2.00 0.22 0.00 -0.02 0.00 0.00 33.50 32.09 3m82 n PRO 7 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3m82 h LEU 8 N -0.10 0.93 -1.29 2.45 5.85 -1.98 0.22 115.31 121.39 3m82 h LEU 8 Ca -0.47 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 3m82 h LEU 8 Cb 1.35 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3m82 h LEU 8 CO 0.46 0.52 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.72 3m82 h GLU 9 N 1.02 0.45 -0.03 1.25 3.07 -2.00 -0.37 114.58 117.96 3m82 h GLU 9 Ca 0.48 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 59.10 3m82 h GLU 9 Cb 0.42 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3m82 h GLU 9 CO -0.25 0.50 -0.55 0.93 -1.40 0.00 0.00 179.01 178.24 3m82 h GLU 10 N 0.43 0.42 -0.81 2.33 5.08 -1.57 -3.28 114.58 117.19 3m82 h GLU 10 Ca 0.09 -0.42 0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3m82 h GLU 10 Cb 0.33 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.59 3m82 h GLU 10 CO 0.01 1.07 0.35 -0.07 -1.00 0.00 0.00 179.01 179.38 3m82 h LEU 11 N -0.07 0.35 -1.42 1.33 3.38 -0.59 -0.85 115.31 117.44 3m82 h LEU 11 Ca -0.06 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3m82 h LEU 11 Cb 1.24 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3m82 h LEU 11 CO 0.11 0.12 0.00 0.11 0.09 0.00 0.00 178.44 178.87 3m82 h LYS 12 N 0.48 0.00 -0.01 1.13 1.57 -1.14 -2.11 116.57 116.49 3m82 h LYS 12 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3m82 h LYS 12 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3m82 h LYS 12 CO -0.42 0.00 -0.06 1.63 -0.57 0.00 0.00 179.45 180.03 3m82 n LYS 13 N -2.59 0.97 -2.02 3.15 5.02 -0.64 -5.01 118.16 117.05 3m82 n LYS 13 Ca 0.00 -1.05 -0.43 0.00 -2.02 0.00 0.00 58.31 54.81 3m82 n LYS 13 Cb 0.18 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 3m82 n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3m82 s TYR 14 N -1.09 1.88 -0.42 2.13 5.04 -0.42 -4.90 117.35 119.57 3m82 s TYR 14 Ca 0.12 0.56 0.07 0.00 -2.44 0.00 0.00 57.07 55.38 3m82 s TYR 14 Cb 0.09 -4.08 0.23 0.00 0.35 0.00 0.00 41.96 38.55 3m82 s TYR 14 CO 0.18 -3.06 0.49 0.54 -1.34 0.00 0.00 175.55 172.36 3m82 n ARG 15 N 8.14 0.70 -1.38 4.97 1.74 -1.26 -4.40 116.66 125.17 3m82 n ARG 15 Ca 0.22 -3.32 -0.33 0.00 -0.77 0.00 0.00 57.85 53.65 3m82 n ARG 15 Cb 0.46 -1.41 0.09 0.00 -1.02 0.00 0.00 32.46 30.58 3m82 n ARG 15 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3m82 s PRO 16 N -0.95 2.14 0.15 5.56 0.04 -1.26 -4.89 135.00 135.79 3m82 s PRO 16 Ca 0.35 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 3m82 s PRO 16 Cb 0.13 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.72 3m82 s PRO 16 CO -0.13 -1.80 1.67 -2.00 0.04 0.00 0.00 177.00 174.78 3m82 s GLU 17 N -4.15 4.17 0.29 4.56 2.12 -1.26 -4.96 118.70 119.48 3m82 s GLU 17 Ca 0.70 2.47 -0.23 0.00 0.36 0.00 0.00 54.97 58.27 3m82 s GLU 17 Cb -0.25 -3.28 -0.09 0.00 0.26 0.00 0.00 34.13 30.76 3m82 s GLU 17 CO 0.47 -0.71 0.86 1.03 -0.54 0.00 0.00 175.26 176.37 3m82 s ARG 18 N 1.69 4.44 -0.16 4.30 0.52 -1.26 -5.06 118.95 123.41 3m82 s ARG 18 Ca 0.74 1.14 0.02 0.00 -0.52 0.00 0.00 55.73 57.11 3m82 s ARG 18 Cb -0.45 -2.79 0.01 0.00 0.52 0.00 0.00 34.95 32.24 3m82 s ARG 18 CO 0.32 0.30 -0.21 -0.47 0.02 0.00 0.00 175.30 175.27 3m82 s TYR 19 N -1.62 2.73 0.11 -0.53 5.04 -1.26 -5.12 117.35 116.70 3m82 s TYR 19 Ca 0.48 -1.49 -0.11 0.00 -2.44 0.00 0.00 57.07 53.51 3m82 s TYR 19 Cb -0.17 -1.87 0.01 0.00 0.35 0.00 0.00 41.96 40.28 3m82 s TYR 19 CO 0.22 -0.71 0.28 -1.83 -1.34 0.00 0.00 175.55 172.17 3m82 s GLU 20 N 1.05 0.96 0.59 4.97 -1.05 -1.26 -4.84 118.70 119.13 3m82 s GLU 20 Ca -0.01 -0.90 -0.13 0.00 -0.15 0.00 0.00 54.97 53.78 3m82 s GLU 20 Cb -0.14 0.39 -0.05 0.00 -0.44 0.00 0.00 34.13 33.89 3m82 s GLU 20 CO -0.07 -0.34 1.02 -1.21 0.95 0.00 0.00 175.26 175.61 3m82 s GLU 21 N -3.85 3.59 0.51 -4.83 0.41 -1.26 -4.96 118.70 108.31 3m82 s GLU 21 Ca 0.06 0.90 0.29 0.00 -0.41 0.00 0.00 54.97 55.80 3m82 s GLU 21 Cb 0.04 -2.08 1.31 0.00 -1.78 0.00 0.00 34.13 31.62 3m82 s GLU 21 CO -0.10 -0.57 1.99 0.87 -0.49 0.00 0.00 175.26 176.96 3m82 h LYS 22 N 0.12 0.00 -0.72 1.61 1.57 -2.04 -2.72 116.57 114.39 3m82 h LYS 22 Ca -0.45 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 3m82 h LYS 22 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 3m82 h LYS 22 CO 0.61 0.13 0.13 -0.40 -0.57 0.00 0.00 179.45 179.34 3m82 n ASP 23 N -3.40 4.81 -0.09 0.86 5.75 -1.26 -4.63 116.55 118.59 3m82 n ASP 23 Ca -0.01 -2.95 -0.06 0.00 -0.01 0.00 0.00 54.79 51.76 3m82 n ASP 23 Cb 0.31 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 3m82 n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3m82 h PHE 24 N 2.89 -0.33 -0.48 2.11 3.04 -1.87 -0.07 116.94 122.24 3m82 h PHE 24 Ca 0.13 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.98 3m82 h PHE 24 Cb 2.00 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 40.69 3m82 h PHE 24 CO 1.06 -0.21 -0.22 -0.44 -2.02 0.00 0.00 178.31 176.48 3m82 h ASP 25 N -0.07 1.02 -0.32 0.41 3.32 -1.87 -2.81 116.42 116.10 3m82 h ASP 25 Ca 0.17 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 3m82 h ASP 25 Cb 0.34 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3m82 h ASP 25 CO -0.39 1.18 0.10 -0.33 -1.72 0.00 0.00 179.24 178.08 3m82 h GLU 26 N 0.85 0.50 -0.65 3.56 3.07 -1.84 -0.23 114.58 119.85 3m82 h GLU 26 Ca 0.11 -0.11 0.14 0.00 -0.50 0.00 0.00 59.36 59.00 3m82 h GLU 26 Cb 0.80 -0.07 -0.10 0.00 -0.84 0.00 0.00 28.75 28.53 3m82 h GLU 26 CO 0.07 0.54 0.08 0.35 -1.40 0.00 0.00 179.01 178.64 3m82 h PHE 27 N 0.37 0.10 -0.10 4.33 3.57 -0.95 0.10 116.94 124.36 3m82 h PHE 27 Ca 0.10 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.45 3m82 h PHE 27 Cb 0.25 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3m82 h PHE 27 CO 0.01 -0.12 -0.76 -1.49 -2.23 0.00 0.00 178.31 173.72 3m82 h TRP 28 N 0.19 0.71 -0.24 0.41 4.06 -1.23 -1.79 115.95 118.06 3m82 h TRP 28 Ca 0.35 -0.32 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 3m82 h TRP 28 Cb 0.57 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 3m82 h TRP 28 CO -0.31 1.10 0.15 0.93 -3.56 0.00 0.00 178.44 176.75 3m82 h GLU 29 N 0.35 0.33 -0.57 0.49 5.08 -0.65 -1.52 114.58 118.09 3m82 h GLU 29 Ca -0.04 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3m82 h GLU 29 Cb 1.35 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 3m82 h GLU 29 CO 0.14 0.25 0.18 0.93 -1.00 0.00 0.00 179.01 179.51 3m82 h GLU 30 N 0.31 0.88 -0.10 2.33 5.08 -0.82 -0.97 114.58 121.29 3m82 h GLU 30 Ca 0.09 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3m82 h GLU 30 Cb 0.01 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3m82 h GLU 30 CO -0.02 0.79 -0.03 1.15 -1.00 0.00 0.00 179.01 179.90 3m82 h THR 31 N 0.79 0.88 -0.38 1.13 2.02 -1.19 -1.25 112.91 114.92 3m82 h THR 31 Ca 0.18 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.24 3m82 h THR 31 Cb 0.28 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3m82 h THR 31 CO -0.01 0.00 -0.24 -0.07 0.37 0.00 0.00 175.52 175.58 3m82 h LEU 32 N -0.01 0.87 -0.47 2.58 3.38 -1.24 -2.60 115.31 117.82 3m82 h LEU 32 Ca 0.05 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3m82 h LEU 32 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3m82 h LEU 32 CO -0.11 1.10 0.30 0.00 0.09 0.00 0.00 178.44 179.82 3m82 h ALA 33 N 0.79 0.60 -0.86 1.53 0.00 -1.06 -0.41 119.26 119.84 3m82 h ALA 33 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m82 h ALA 33 Cb 0.80 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3m82 h ALA 33 CO 0.07 0.06 0.55 0.93 0.00 0.00 0.00 179.25 180.86 3m82 h GLU 34 N 0.63 1.15 0.00 0.00 5.08 -1.21 -2.98 114.58 117.25 3m82 h GLU 34 Ca 0.17 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 3m82 h GLU 34 Cb -0.05 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 3m82 h GLU 34 CO -0.04 0.78 -0.60 0.77 -1.00 0.00 0.00 179.01 178.92 3m82 h SER 35 N 1.18 0.00 0.78 1.42 0.02 -1.13 -3.17 113.55 112.64 3m82 h SER 35 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3m82 h SER 35 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3m82 h SER 35 CO -0.06 0.60 0.00 -0.33 -1.14 0.00 0.00 176.83 175.90 3m82 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 -0.93 -2.85 114.58 119.34 3m82 h GLU 36 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m82 h GLU 36 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3m82 h GLU 36 CO 0.08 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.96 3m82 h LYS 37 N 0.00 0.00 -5.84 2.33 1.57 -1.51 -3.42 116.57 109.70 3m82 h LYS 37 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 3m82 h LYS 37 Cb 0.39 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3m82 h LYS 37 CO 0.00 0.00 -0.30 -0.06 -0.57 0.00 0.00 179.45 178.52 3m82 s PHE 38 N -3.65 3.66 0.31 -1.35 0.40 -1.08 -5.05 117.98 111.22 3m82 s PHE 38 Ca 0.01 0.81 -0.29 0.00 -0.60 0.00 0.00 56.93 56.85 3m82 s PHE 38 Cb 0.09 -2.18 -0.10 0.00 0.51 0.00 0.00 43.02 41.34 3m82 s PHE 38 CO 0.46 0.64 1.43 -2.14 0.70 0.00 0.00 175.22 176.30 3m82 s PRO 39 N -0.91 4.24 0.23 0.24 0.02 -1.26 -4.91 135.00 132.66 3m82 s PRO 39 Ca 0.20 2.37 -0.06 0.00 0.02 0.00 0.00 61.00 63.53 3m82 s PRO 39 Cb -0.15 -3.06 0.37 0.00 0.02 0.00 0.00 34.50 31.69 3m82 s PRO 39 CO 0.09 -0.40 1.77 1.25 -0.33 0.00 0.00 177.00 179.38 3m82 h LEU 40 N 4.07 0.43 -3.04 -5.54 5.85 -1.90 -3.42 115.31 111.76 3m82 h LEU 40 Ca -0.48 0.07 -0.54 0.00 0.84 0.00 0.00 57.88 57.77 3m82 h LEU 40 Cb 1.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3m82 h LEU 40 CO 0.71 0.23 -0.96 -0.67 -0.34 0.00 0.00 178.44 177.41 3m82 n ASP 41 N -4.89 -2.85 -4.75 1.25 2.03 -1.26 -1.30 116.55 104.78 3m82 n ASP 41 Ca 0.12 -1.17 -0.41 0.00 0.52 0.00 0.00 54.79 53.86 3m82 n ASP 41 Cb 0.31 -2.38 -0.04 0.00 -0.72 0.00 0.00 41.12 38.29 3m82 n ASP 41 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3m82 s PRO 42 N -6.87 4.58 -0.08 -0.67 0.04 -1.26 -4.51 135.00 126.23 3m82 s PRO 42 Ca 0.31 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.18 3m82 s PRO 42 Cb -0.15 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.19 3m82 s PRO 42 CO 0.93 0.09 -0.12 0.08 0.04 0.00 0.00 177.00 178.03 3m82 s VAL 43 N -0.65 1.15 -0.18 -0.36 1.01 0.30 -5.01 120.40 116.65 3m82 s VAL 43 Ca 0.48 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3m82 s VAL 43 Cb -0.32 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.01 3m82 s VAL 43 CO 0.39 0.37 -0.19 -0.36 0.00 0.00 0.00 175.10 175.30 3m82 s PHE 44 N 0.90 2.79 -0.26 5.22 0.08 -1.26 -2.06 117.98 123.40 3m82 s PHE 44 Ca -0.10 -1.65 0.02 0.00 0.12 0.00 0.00 56.93 55.32 3m82 s PHE 44 Cb -0.15 -1.92 0.07 0.00 -0.57 0.00 0.00 43.02 40.44 3m82 s PHE 44 CO 0.01 -0.81 -0.05 -1.21 -0.10 0.00 0.00 175.22 173.06 3m82 s GLU 45 N 1.29 1.75 0.25 0.44 2.02 -0.21 -4.94 118.70 119.30 3m82 s GLU 45 Ca 0.05 -1.21 -0.31 0.00 0.02 0.00 0.00 54.97 53.52 3m82 s GLU 45 Cb -0.13 -2.73 -0.11 0.00 0.10 0.00 0.00 34.13 31.26 3m82 s GLU 45 CO -0.13 -0.65 1.61 0.50 0.02 0.00 0.00 175.26 176.61 3m82 s ARG 46 N 1.26 4.15 0.17 1.61 6.06 -1.26 -0.69 118.95 130.24 3m82 s ARG 46 Ca -0.04 2.53 0.11 0.00 -2.50 0.00 0.00 55.73 55.83 3m82 s ARG 46 Cb -0.19 -3.06 -0.04 0.00 0.06 0.00 0.00 34.95 31.71 3m82 s ARG 46 CO -0.07 -0.64 -0.22 0.00 -2.50 0.00 0.00 175.30 171.87 3m82 s MET 47 N 0.16 1.59 0.10 5.12 0.23 -0.62 -4.88 119.30 121.01 3m82 s MET 47 Ca 0.67 -1.41 -0.31 0.00 -1.03 0.00 0.00 55.69 53.60 3m82 s MET 47 Cb -0.47 -1.93 -0.08 0.00 -1.53 0.00 0.00 34.83 30.82 3m82 s MET 47 CO 0.41 0.42 1.49 -2.00 -2.03 0.00 0.00 175.02 173.31 3m82 s GLU 48 N -2.49 4.26 0.05 3.16 2.12 -1.26 -4.70 118.70 119.83 3m82 s GLU 48 Ca 0.19 2.18 -0.19 0.00 0.36 0.00 0.00 54.97 57.51 3m82 s GLU 48 Cb -0.09 -3.34 0.04 0.00 0.26 0.00 0.00 34.13 31.00 3m82 s GLU 48 CO 0.10 -0.56 0.44 0.45 -0.54 0.00 0.00 175.26 175.15 3m82 s SER 49 N 1.48 -0.33 0.00 -1.70 0.15 -1.26 -5.02 113.70 107.02 3m82 s SER 49 Ca 0.68 0.04 0.29 0.00 0.70 0.00 0.00 55.95 57.66 3m82 s SER 49 Cb -0.38 0.44 1.22 0.00 -1.71 0.00 0.00 66.02 65.59 3m82 s SER 49 CO 0.30 -0.68 1.87 1.41 1.20 0.00 0.00 173.24 177.34 3m82 n HIS 50 N 0.47 0.00 -2.03 3.44 8.25 -1.26 -4.88 115.22 119.21 3m82 n HIS 50 Ca -0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 3m82 n HIS 50 Cb 0.60 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 3m82 n HIS 50 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m82 s LEU 51 N -2.60 4.38 -0.07 2.41 1.43 -1.26 -4.95 118.68 118.02 3m82 s LEU 51 Ca 0.26 2.58 0.08 0.00 -1.03 0.00 0.00 54.13 56.02 3m82 s LEU 51 Cb 0.20 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.69 3m82 s LEU 51 CO 0.50 -0.72 0.07 0.29 0.23 0.00 0.00 176.35 176.72 3m82 n LYS 52 N 3.07 2.08 0.00 1.70 4.76 -1.26 -4.65 118.16 123.86 3m82 n LYS 52 Ca 0.09 -0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 3m82 n LYS 52 Cb 0.40 -1.23 0.15 0.00 -1.84 0.00 0.00 35.03 32.50 3m82 n LYS 52 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3m82 n THR 53 N -2.24 0.00 -3.97 -0.18 -2.24 -1.26 -4.91 114.28 99.48 3m82 n THR 53 Ca -0.12 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3m82 n THR 53 Cb 0.69 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.75 3m82 n THR 53 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3m82 s VAL 54 N -2.44 0.15 -0.20 2.28 1.01 -1.26 -0.98 120.40 118.96 3m82 s VAL 54 Ca 0.22 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3m82 s VAL 54 Cb 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.35 3m82 s VAL 54 CO 0.53 -0.09 0.25 -1.61 0.00 0.00 0.00 175.10 174.17 3m82 s GLU 55 N -0.41 4.18 -0.13 2.72 2.02 0.95 -4.84 118.70 123.20 3m82 s GLU 55 Ca -0.03 -0.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.90 3m82 s GLU 55 Cb -0.03 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 3m82 s GLU 55 CO -0.00 0.15 -0.06 0.00 0.02 0.00 0.00 175.26 175.37 3m82 s ALA 56 N 0.76 2.96 -0.02 5.21 0.00 -1.26 -0.73 121.76 128.68 3m82 s ALA 56 Ca 0.13 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.32 3m82 s ALA 56 Cb -0.13 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3m82 s ALA 56 CO 0.04 0.32 -0.25 0.71 0.00 0.00 0.00 175.76 176.58 3m82 s TYR 57 N 0.04 2.23 -0.12 0.00 1.51 0.04 -1.59 117.35 119.46 3m82 s TYR 57 Ca -0.01 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.31 3m82 s TYR 57 Cb -0.14 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 3m82 s TYR 57 CO 0.03 -0.06 1.15 0.34 -1.11 0.00 0.00 175.55 175.90 3m82 s ASP 58 N -0.54 7.07 -0.09 2.29 2.15 0.13 -1.28 116.67 126.40 3m82 s ASP 58 Ca 0.08 1.65 -0.03 0.00 0.43 0.00 0.00 52.55 54.69 3m82 s ASP 58 Cb -0.10 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 3m82 s ASP 58 CO -0.01 -0.62 0.03 -0.69 -0.17 0.00 0.00 175.17 173.71 3m82 s VAL 59 N 2.68 4.53 -0.02 1.11 1.01 -0.81 -1.05 120.40 127.85 3m82 s VAL 59 Ca 0.52 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3m82 s VAL 59 Cb -0.21 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3m82 s VAL 59 CO 0.16 0.61 -0.03 -0.89 0.00 0.00 0.00 175.10 174.95 3m82 s THR 60 N -0.91 0.34 0.15 3.92 2.01 -0.87 -1.59 115.64 118.69 3m82 s THR 60 Ca 0.14 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 61.90 3m82 s THR 60 Cb -0.11 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.07 3m82 s THR 60 CO 0.03 0.14 0.40 0.72 -0.69 0.00 0.00 174.62 175.21 3m82 s PHE 61 N 0.43 -0.01 -0.22 4.92 -0.71 -0.77 -0.54 117.98 121.08 3m82 s PHE 61 Ca -0.05 -0.34 -0.19 0.00 -1.04 0.00 0.00 56.93 55.31 3m82 s PHE 61 Cb -0.08 0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 3m82 s PHE 61 CO -0.01 -0.76 0.57 -1.12 -1.34 0.00 0.00 175.22 172.56 3m82 s SER 62 N -2.87 6.57 0.00 1.98 0.01 -0.42 -0.54 113.70 118.43 3m82 s SER 62 Ca 0.08 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.04 3m82 s SER 62 Cb 0.01 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.93 3m82 s SER 62 CO -0.06 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.93 3m82 n GLY 63 N 4.03 0.69 3.68 3.44 0.00 0.76 -4.79 105.19 113.01 3m82 n GLY 63 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3m82 n GLY 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m82 s TYR 64 N 2.94 2.11 -1.57 1.61 5.04 -1.26 -3.36 117.35 122.86 3m82 s TYR 64 Ca 0.00 0.08 -0.11 0.00 -2.44 0.00 0.00 57.07 54.60 3m82 s TYR 64 Cb 0.00 -4.06 0.09 0.00 0.35 0.00 0.00 41.96 38.34 3m82 s TYR 64 CO 0.00 -4.42 0.70 0.54 -1.34 0.00 0.00 175.55 171.03 3m82 n ARG 65 N 6.11 -3.69 -0.92 4.97 1.74 -1.26 -1.47 116.66 122.14 3m82 n ARG 65 Ca 0.17 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 3m82 n ARG 65 Cb 0.40 -4.99 0.00 0.00 -1.02 0.00 0.00 32.46 26.85 3m82 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m82 n GLY 66 N -1.65 0.65 3.75 -0.13 0.00 -1.21 -4.98 105.19 101.62 3m82 n GLY 66 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3m82 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m82 s GLN 67 N -0.30 4.56 -0.24 1.61 -0.21 -0.54 -4.64 119.66 119.89 3m82 s GLN 67 Ca 0.00 1.85 -0.17 0.00 0.02 0.00 0.00 55.36 57.06 3m82 s GLN 67 Cb 0.00 -3.21 -0.03 0.00 1.00 0.00 0.00 33.01 30.77 3m82 s GLN 67 CO 0.00 0.06 0.48 1.03 -2.12 0.00 0.00 175.29 174.75 3m82 s ARG 68 N -0.96 4.10 -0.07 2.91 1.81 -1.26 -0.17 118.95 125.31 3m82 s ARG 68 Ca 0.48 0.29 0.01 0.00 -1.72 0.00 0.00 55.73 54.79 3m82 s ARG 68 Cb -0.33 -3.62 -0.03 0.00 -0.45 0.00 0.00 34.95 30.52 3m82 s ARG 68 CO 0.40 -0.27 -0.09 0.42 -0.68 0.00 0.00 175.30 175.09 3m82 s ILE 69 N 2.03 3.55 0.48 1.52 -1.09 0.30 -4.86 121.20 123.13 3m82 s ILE 69 Ca 0.21 -0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 58.06 3m82 s ILE 69 Cb -0.15 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 3m82 s ILE 69 CO 0.09 0.59 0.76 -0.54 -1.23 0.00 0.00 174.94 174.61 3m82 s LYS 70 N -0.70 3.25 0.20 2.79 -0.14 -1.26 -1.85 119.74 122.04 3m82 s LYS 70 Ca 0.11 -0.09 -0.15 0.00 -1.36 0.00 0.00 55.97 54.48 3m82 s LYS 70 Cb -0.11 -2.43 0.05 0.00 -1.68 0.00 0.00 37.83 33.66 3m82 s LYS 70 CO 0.01 -0.31 0.72 0.41 -0.76 0.00 0.00 175.35 175.43 3m82 n GLY 71 N -2.24 0.94 3.30 -3.33 0.00 -0.62 -1.95 105.19 101.29 3m82 n GLY 71 Ca 0.01 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 3m82 n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m82 s TRP 72 N -3.31 1.91 -0.15 1.61 0.23 -0.70 -1.93 118.94 116.59 3m82 s TRP 72 Ca 0.15 -0.40 0.01 0.00 -2.03 0.00 0.00 56.10 53.84 3m82 s TRP 72 Cb -0.03 -1.07 0.02 0.00 0.03 0.00 0.00 33.47 32.42 3m82 s TRP 72 CO 0.06 0.19 -0.19 -1.17 0.96 0.00 0.00 176.95 176.81 3m82 s LEU 73 N -1.71 1.97 -0.25 2.99 2.96 -0.41 -0.90 118.68 123.33 3m82 s LEU 73 Ca 0.08 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 3m82 s LEU 73 Cb -0.10 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.25 3m82 s LEU 73 CO 0.04 0.01 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.30 3m82 s LEU 74 N 1.19 3.29 -0.26 -0.68 1.43 -0.25 -0.78 118.68 122.62 3m82 s LEU 74 Ca 0.01 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.39 3m82 s LEU 74 Cb -0.14 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3m82 s LEU 74 CO -0.08 -0.11 0.01 -0.69 0.23 0.00 0.00 176.35 175.70 3m82 s VAL 75 N 1.42 3.57 0.41 -1.59 1.01 0.09 -1.30 120.40 124.02 3m82 s VAL 75 Ca 0.03 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 3m82 s VAL 75 Cb -0.16 -2.76 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 3m82 s VAL 75 CO -0.02 0.22 1.17 -2.16 0.00 0.00 0.00 175.10 174.31 3m82 s PRO 76 N 1.46 3.99 -0.93 2.72 0.04 -1.26 -0.03 135.00 140.99 3m82 s PRO 76 Ca 0.03 1.83 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 3m82 s PRO 76 Cb -0.16 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.79 3m82 s PRO 76 CO -0.01 -0.37 1.49 0.15 0.04 0.00 0.00 177.00 178.31 3m82 s LYS 77 N -2.39 3.33 0.05 4.56 1.02 -0.16 -4.85 119.74 121.30 3m82 s LYS 77 Ca 0.58 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.85 3m82 s LYS 77 Cb -0.30 -5.02 -0.03 0.00 -0.52 0.00 0.00 37.83 31.96 3m82 s LYS 77 CO 0.38 -2.37 -0.08 -0.51 -0.92 0.00 0.00 175.35 171.85 3m82 s LEU 78 N 5.98 2.27 0.00 3.17 1.43 -1.26 -5.00 118.68 125.26 3m82 s LEU 78 Ca 0.48 -0.57 0.18 0.00 -1.03 0.00 0.00 54.13 53.19 3m82 s LEU 78 Cb -0.03 -0.19 0.58 0.00 0.03 0.00 0.00 46.19 46.58 3m82 s LEU 78 CO -0.02 -0.20 1.45 -0.62 0.23 0.00 0.00 176.35 177.18 3m82 n GLU 79 N 1.40 1.91 -1.79 1.70 -0.58 -1.26 -4.81 120.64 117.20 3m82 n GLU 79 Ca -0.22 -1.38 -0.42 0.00 -0.42 0.00 0.00 57.16 54.72 3m82 n GLU 79 Cb 0.55 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 30.00 3m82 n GLU 79 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3m82 s GLU 80 N -1.64 4.15 0.27 3.49 2.12 -1.26 -4.93 118.70 120.90 3m82 s GLU 80 Ca 0.32 2.54 0.14 0.00 0.36 0.00 0.00 54.97 58.33 3m82 s GLU 80 Cb 0.17 -3.11 0.07 0.00 0.26 0.00 0.00 34.13 31.52 3m82 s GLU 80 CO 0.24 -0.71 1.44 0.93 -0.54 0.00 0.00 175.26 176.62 3m82 h GLU 81 N 6.85 0.00 -4.68 4.30 3.07 -1.94 -3.43 114.58 118.76 3m82 h GLU 81 Ca -0.43 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 57.88 3m82 h GLU 81 Cb 1.20 0.00 -0.34 0.00 -0.84 0.00 0.00 28.75 28.77 3m82 h GLU 81 CO 0.95 0.54 -0.83 0.15 -1.40 0.00 0.00 179.01 178.42 3m82 s LYS 82 N -2.96 1.98 0.20 2.33 -0.14 -1.26 -4.60 119.74 115.29 3m82 s LYS 82 Ca 0.04 -0.50 0.11 0.00 -1.36 0.00 0.00 55.97 54.26 3m82 s LYS 82 Cb 0.08 -1.63 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 3m82 s LYS 82 CO 0.75 0.02 -0.23 -0.51 -0.76 0.00 0.00 175.35 174.62 3m82 s LEU 83 N 0.73 2.46 0.76 3.17 1.43 0.44 -4.76 118.68 122.91 3m82 s LEU 83 Ca -0.13 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 51.97 3m82 s LEU 83 Cb -0.16 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 44.99 3m82 s LEU 83 CO 0.03 0.09 1.08 -2.16 0.23 0.00 0.00 176.35 175.62 3m82 s PRO 84 N -2.82 2.40 -0.02 1.29 0.04 -1.26 -0.31 135.00 134.33 3m82 s PRO 84 Ca 0.22 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3m82 s PRO 84 Cb -0.07 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3m82 s PRO 84 CO 0.10 -1.50 0.00 0.00 0.04 0.00 0.00 177.00 175.64 3m82 s VAL 86 N 0.61 3.87 -0.36 0.00 1.01 0.69 -0.33 120.40 125.88 3m82 s VAL 86 Ca -0.06 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 3m82 s VAL 86 Cb -0.08 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3m82 s VAL 86 CO -0.01 0.40 0.59 -0.69 0.00 0.00 0.00 175.10 175.39 3m82 s VAL 87 N 1.31 4.93 -0.22 2.92 1.01 0.70 -1.15 120.40 129.89 3m82 s VAL 87 Ca 0.04 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 3m82 s VAL 87 Cb -0.15 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3m82 s VAL 87 CO 0.01 -0.31 0.08 -1.58 0.00 0.00 0.00 175.10 173.30 3m82 s GLN 88 N 2.59 3.82 0.14 2.72 2.00 0.13 -0.92 119.66 130.14 3m82 s GLN 88 Ca 0.22 -0.41 0.04 0.00 -2.00 0.00 0.00 55.36 53.21 3m82 s GLN 88 Cb -0.15 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 3m82 s GLN 88 CO 0.15 0.01 0.19 0.71 -0.50 0.00 0.00 175.29 175.84 3m82 s TYR 89 N 1.11 3.30 0.06 1.67 2.02 -0.28 -1.64 117.35 123.60 3m82 s TYR 89 Ca 0.05 0.06 0.06 0.00 -0.37 0.00 0.00 57.07 56.87 3m82 s TYR 89 Cb -0.14 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 3m82 s TYR 89 CO 0.03 0.52 -0.11 0.42 -1.57 0.00 0.00 175.55 174.85 3m82 s ILE 90 N -1.69 3.33 0.85 2.71 1.01 -1.26 -4.48 121.20 121.67 3m82 s ILE 90 Ca 0.32 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 3m82 s ILE 90 Cb -0.11 -2.50 0.10 0.00 0.01 0.00 0.00 42.46 39.96 3m82 s ILE 90 CO 0.25 0.23 1.09 -0.83 0.00 0.00 0.00 174.94 175.69 3m82 s GLY 91 N -1.84 1.63 0.19 6.18 0.00 -1.26 -3.13 107.32 109.09 3m82 s GLY 91 Ca 0.19 -0.04 -0.33 0.00 0.00 0.00 0.00 44.72 44.54 3m82 s GLY 91 CO 0.10 0.41 1.43 2.98 0.00 0.00 0.00 173.10 178.03 3m82 n TYR 92 N -3.72 2.06 -1.16 1.90 9.36 -1.26 -1.72 117.16 122.61 3m82 n TYR 92 Ca 0.07 0.42 -0.05 0.00 3.32 0.00 0.00 57.90 61.66 3m82 n TYR 92 Cb 0.55 -2.46 -0.02 0.00 -0.63 0.00 0.00 39.34 36.78 3m82 n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3m82 n ASN 93 N 2.59 -4.39 -4.91 2.98 3.02 -1.26 -4.85 115.26 108.44 3m82 n ASN 93 Ca 0.14 0.14 -0.22 0.00 -0.03 0.00 0.00 54.58 54.61 3m82 n ASN 93 Cb 0.29 -2.37 -0.01 0.00 -0.61 0.00 0.00 39.78 37.08 3m82 n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3m82 s GLY 94 N -2.46 2.14 0.08 7.41 0.00 -0.70 -0.46 107.32 113.33 3m82 s GLY 94 Ca 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 44.72 42.97 3m82 s GLY 94 CO 0.00 -1.77 0.14 0.61 0.00 0.00 0.00 173.10 172.09 3m82 n GLY 95 N -1.73 2.36 0.22 0.20 0.00 -0.66 -1.09 105.19 104.49 3m82 n GLY 95 Ca 0.04 -1.26 0.16 0.00 0.00 0.00 0.00 46.02 44.96 3m82 n GLY 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m82 h ARG 96 N 0.00 0.00 0.00 1.61 0.11 -1.83 -3.43 114.38 110.84 3m82 h ARG 96 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 3m82 h ARG 96 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 3m82 h ARG 96 CO 0.09 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.57 3m82 n GLY 97 N -0.32 3.14 3.74 0.08 0.00 -0.25 -4.64 105.19 106.94 3m82 n GLY 97 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 3m82 n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m82 s PHE 98 N 0.00 3.05 0.33 1.61 0.08 -1.26 -4.96 117.98 116.83 3m82 s PHE 98 Ca 0.00 -0.04 0.10 0.00 0.12 0.00 0.00 56.93 57.12 3m82 s PHE 98 Cb 0.00 -1.49 0.90 0.00 -0.57 0.00 0.00 43.02 41.86 3m82 s PHE 98 CO 0.00 0.51 1.74 -1.35 -0.10 0.00 0.00 175.22 176.02 3m82 h PRO 99 N 2.73 0.56 0.00 0.24 0.11 -1.99 -1.08 132.00 132.57 3m82 h PRO 99 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m82 h PRO 99 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3m82 h PRO 99 CO 0.62 0.37 0.00 -2.39 -0.21 0.00 0.00 178.00 176.39 3m82 n HIS 100 N -4.84 0.00 1.28 0.65 1.44 -1.26 -2.36 115.22 110.13 3m82 n HIS 100 Ca 0.26 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.10 3m82 n HIS 100 Cb 0.75 -0.24 0.67 0.00 0.12 0.00 0.00 29.99 31.29 3m82 n HIS 100 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3m82 n ASP 101 N -1.24 0.00 -2.57 4.39 8.00 -0.41 -4.19 116.55 120.53 3m82 n ASP 101 Ca 0.08 -0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.30 3m82 n ASP 101 Cb 0.11 -0.25 0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3m82 n ASP 101 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3m82 n TRP 102 N -1.25 1.82 0.71 1.24 7.02 -0.99 -4.89 117.44 121.10 3m82 n TRP 102 Ca 0.13 -2.42 0.13 0.00 -1.02 0.00 0.00 57.50 54.32 3m82 n TRP 102 Cb 0.19 -0.27 0.43 0.00 -2.42 0.00 0.00 31.31 29.25 3m82 n TRP 102 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3m82 n LEU 103 N -0.49 0.63 0.45 -0.99 4.77 -1.26 -4.34 117.00 115.78 3m82 n LEU 103 Ca 0.19 0.53 -0.19 0.00 -0.03 0.00 0.00 56.01 56.51 3m82 n LEU 103 Cb 0.83 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 3m82 n LEU 103 CO 0.22 -0.13 0.59 0.15 -1.33 0.00 0.00 177.39 176.89 3m82 h PHE 104 N 0.00 -1.07 -0.19 -1.77 3.57 -1.94 -2.07 116.94 113.46 3m82 h PHE 104 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3m82 h PHE 104 Cb 0.68 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 3m82 h PHE 104 CO 0.00 -0.66 0.06 -1.49 -2.23 0.00 0.00 178.31 173.99 3m82 h TRP 105 N -1.14 0.30 -0.88 0.41 4.06 -1.89 -2.51 115.95 114.30 3m82 h TRP 105 Ca -0.11 -0.03 0.14 0.00 2.06 0.00 0.00 58.89 60.95 3m82 h TRP 105 Cb 0.88 -0.09 -0.09 0.00 -1.00 0.00 0.00 29.16 28.86 3m82 h TRP 105 CO -0.02 0.38 0.49 -1.35 -3.56 0.00 0.00 178.44 174.37 3m82 h PRO 106 N 0.14 0.69 0.00 0.49 0.11 -1.54 -0.87 132.00 131.02 3m82 h PRO 106 Ca 0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 3m82 h PRO 106 Cb 0.21 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3m82 h PRO 106 CO -0.00 0.46 -0.08 0.77 -0.21 0.00 0.00 178.00 178.94 3m82 h SER 107 N 0.72 0.00 -0.35 -2.05 0.02 -1.08 -1.03 113.55 109.77 3m82 h SER 107 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 3m82 h SER 107 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3m82 h SER 107 CO -0.33 0.08 0.00 0.23 -1.14 0.00 0.00 176.83 175.66 3m82 n MET 108 N -3.39 1.85 -0.81 3.45 2.81 -0.62 -4.93 117.12 115.48 3m82 n MET 108 Ca -0.01 -1.31 0.00 0.00 -1.81 0.00 0.00 57.70 54.57 3m82 n MET 108 Cb 0.24 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 3m82 n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m82 n GLY 109 N 1.10 0.52 3.60 3.03 0.00 -0.39 -5.06 105.19 107.98 3m82 n GLY 109 Ca 0.13 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 3m82 n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m82 s TYR 110 N -2.00 3.05 0.36 1.61 1.51 -0.43 -4.43 117.35 117.02 3m82 s TYR 110 Ca 0.00 0.01 -0.28 0.00 -1.01 0.00 0.00 57.07 55.79 3m82 s TYR 110 Cb 0.00 -1.81 -0.10 0.00 -0.11 0.00 0.00 41.96 39.94 3m82 s TYR 110 CO 0.00 0.29 1.28 0.42 -1.11 0.00 0.00 175.55 176.43 3m82 s ILE 111 N -0.52 2.77 -0.13 2.71 1.01 0.21 -2.39 121.20 124.87 3m82 s ILE 111 Ca 0.08 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.47 3m82 s ILE 111 Cb -0.12 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.92 3m82 s ILE 111 CO 0.02 0.15 -0.11 0.00 0.00 0.00 0.00 174.94 174.99 3m82 s PHE 113 N 1.58 3.24 -0.32 0.00 2.19 -0.30 -1.09 117.98 123.27 3m82 s PHE 113 Ca 0.05 -0.71 -0.14 0.00 0.33 0.00 0.00 56.93 56.45 3m82 s PHE 113 Cb -0.13 -2.52 -0.02 0.00 -1.31 0.00 0.00 43.02 39.05 3m82 s PHE 113 CO -0.10 -0.59 0.33 0.08 1.83 0.00 0.00 175.22 176.77 3m82 s VAL 114 N 1.63 5.20 -0.24 3.12 1.01 -0.08 0.21 120.40 131.25 3m82 s VAL 114 Ca 0.04 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 3m82 s VAL 114 Cb -0.19 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3m82 s VAL 114 CO 0.09 -0.00 0.57 -0.32 0.00 0.00 0.00 175.10 175.43 3m82 s MET 115 N 1.97 4.12 0.47 2.72 1.75 -0.65 -1.73 119.30 127.96 3m82 s MET 115 Ca 0.11 0.45 -0.23 0.00 -1.25 0.00 0.00 55.69 54.77 3m82 s MET 115 Cb -0.16 -3.62 -0.07 0.00 2.84 0.00 0.00 34.83 33.81 3m82 s MET 115 CO 0.11 -0.32 1.23 0.34 -0.65 0.00 0.00 175.02 175.73 3m82 s ASP 116 N 1.40 5.96 -0.35 1.11 2.15 -0.82 -4.46 116.67 121.67 3m82 s ASP 116 Ca 0.24 2.46 -0.11 0.00 0.43 0.00 0.00 52.55 55.57 3m82 s ASP 116 Cb -0.16 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.85 3m82 s ASP 116 CO 0.09 -1.07 0.20 -0.89 -0.17 0.00 0.00 175.17 173.33 3m82 s THR 117 N -1.45 4.80 -0.40 1.71 2.01 -1.26 -4.79 115.64 116.26 3m82 s THR 117 Ca 0.65 -0.56 -0.44 0.00 0.31 0.00 0.00 61.69 61.65 3m82 s THR 117 Cb -0.33 -3.56 -0.18 0.00 0.01 0.00 0.00 72.50 68.45 3m82 s THR 117 CO 0.40 -0.09 1.69 -2.11 -0.69 0.00 0.00 174.62 173.81 3m82 n ARG 118 N 5.03 0.51 -0.51 4.92 1.85 -1.26 -2.34 116.66 124.87 3m82 n ARG 118 Ca -0.13 0.19 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 3m82 n ARG 118 Cb 0.48 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 3m82 n ARG 118 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m82 n GLY 119 N 4.24 1.83 0.00 2.89 0.00 0.13 -4.57 105.19 109.71 3m82 n GLY 119 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3m82 n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m82 n GLN 120 N -2.00 0.00 -3.86 1.61 6.02 -0.99 -4.88 117.38 113.28 3m82 n GLN 120 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 3m82 n GLN 120 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 3m82 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m82 n GLY 121 N 5.00 -0.49 0.00 1.08 0.00 -0.25 -4.71 105.19 105.82 3m82 n GLY 121 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3m82 n GLY 121 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m82 n SER 122 N -2.73 0.00 -0.08 1.61 7.64 -1.18 -1.43 113.62 117.46 3m82 n SER 122 Ca 0.04 -1.00 -0.13 0.00 1.01 0.00 0.00 58.87 58.79 3m82 n SER 122 Cb 0.52 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 3m82 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m82 n GLY 123 N 0.00 -0.42 0.00 0.23 0.00 0.39 -4.91 105.19 100.48 3m82 n GLY 123 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3m82 n GLY 123 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3m82 n TRP 124 N -4.18 0.00 -3.68 1.61 4.27 -1.06 -5.04 117.44 109.36 3m82 n TRP 124 Ca -0.22 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.30 3m82 n TRP 124 Cb 0.55 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.40 3m82 n TRP 124 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3m82 s LEU 125 N -1.02 -0.39 0.69 5.67 2.96 -1.26 -5.03 118.68 120.30 3m82 s LEU 125 Ca 0.00 1.10 -0.17 0.00 -0.22 0.00 0.00 54.13 54.84 3m82 s LEU 125 Cb 0.00 1.68 0.02 0.00 0.50 0.00 0.00 46.19 48.39 3m82 s LEU 125 CO 0.00 -0.21 1.27 -1.59 -1.32 0.00 0.00 176.35 174.50 3m82 s LYS 126 N 1.54 2.29 0.23 1.98 -2.85 -1.26 -1.65 119.74 120.02 3m82 s LYS 126 Ca -0.09 1.98 0.01 0.00 -1.00 0.00 0.00 55.97 56.86 3m82 s LYS 126 Cb -0.08 -1.82 -0.05 0.00 -2.06 0.00 0.00 37.83 33.82 3m82 s LYS 126 CO -0.15 -1.78 0.09 0.20 0.10 0.00 0.00 175.35 173.81 3m82 s GLY 127 N -1.61 1.56 0.00 0.59 0.00 -0.51 -1.09 107.32 106.26 3m82 s GLY 127 Ca 0.80 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3m82 s GLY 127 CO 0.43 -1.53 0.34 1.22 0.00 0.00 0.00 173.10 173.56 3m82 n ASP 128 N -0.37 0.56 -4.45 1.64 8.00 -1.26 -4.90 116.55 115.77 3m82 n ASP 128 Ca -0.01 -1.10 -0.36 0.00 0.71 0.00 0.00 54.79 54.04 3m82 n ASP 128 Cb 0.66 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.63 3m82 n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3m82 s THR 129 N -0.10 4.13 0.71 -3.53 2.01 -1.26 -4.92 115.64 112.68 3m82 s THR 129 Ca 0.00 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 3m82 s THR 129 Cb 0.00 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.63 3m82 s THR 129 CO 0.00 0.39 1.07 -2.16 -0.69 0.00 0.00 174.62 173.23 3m82 s PRO 130 N 1.23 2.83 0.45 4.92 0.04 -1.26 0.19 135.00 143.39 3m82 s PRO 130 Ca 0.04 0.74 -0.04 0.00 0.04 0.00 0.00 61.00 61.77 3m82 s PRO 130 Cb -0.15 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3m82 s PRO 130 CO 0.02 -1.12 0.74 0.34 0.04 0.00 0.00 177.00 177.02 3m82 s ASP 131 N -4.00 6.29 -0.21 6.66 2.15 -1.26 -4.01 116.67 122.28 3m82 s ASP 131 Ca 0.58 0.85 -0.03 0.00 0.43 0.00 0.00 52.55 54.38 3m82 s ASP 131 Cb -0.13 -2.21 0.07 0.00 -0.30 0.00 0.00 42.92 40.34 3m82 s ASP 131 CO 0.54 -0.51 0.05 -0.31 -0.17 0.00 0.00 175.17 174.77 3m82 s TYR 132 N -2.63 0.99 0.72 -5.34 1.51 -1.26 -4.95 117.35 106.39 3m82 s TYR 132 Ca 0.46 -0.89 -0.11 0.00 -1.01 0.00 0.00 57.07 55.52 3m82 s TYR 132 Cb -0.10 -1.05 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 3m82 s TYR 132 CO 0.42 -0.64 1.07 -1.25 -1.11 0.00 0.00 175.55 174.05 3m82 s PRO 133 N 1.87 2.74 -1.15 -1.71 0.04 -1.26 -4.94 135.00 130.59 3m82 s PRO 133 Ca 0.01 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 61.65 3m82 s PRO 133 Cb -0.17 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 3m82 s PRO 133 CO -0.11 -1.21 1.91 0.39 0.04 0.00 0.00 177.00 178.03 3m82 n GLU 134 N -3.18 1.99 0.00 4.56 -0.58 -1.26 -4.90 120.64 117.27 3m82 n GLU 134 Ca 0.07 -2.53 0.00 0.00 -0.42 0.00 0.00 57.16 54.28 3m82 n GLU 134 Cb 0.55 -3.50 0.00 0.00 -0.57 0.00 0.00 31.44 27.92 3m82 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m82 n GLY 135 N 5.36 1.07 3.73 0.62 0.00 -1.26 -4.81 105.19 109.90 3m82 n GLY 135 Ca 0.47 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 46.52 3m82 n GLY 135 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m82 s PRO 136 N 0.00 4.49 -0.74 1.61 0.02 -1.26 -4.99 135.00 134.13 3m82 s PRO 136 Ca 0.00 1.84 -0.16 0.00 0.02 0.00 0.00 61.00 62.71 3m82 s PRO 136 Cb 0.00 -3.26 0.17 0.00 0.02 0.00 0.00 34.50 31.43 3m82 s PRO 136 CO 0.00 -0.10 0.73 0.08 -0.33 0.00 0.00 177.00 177.37 3m82 s VAL 137 N 0.13 5.33 0.95 3.83 1.01 -1.26 -5.01 120.40 125.38 3m82 s VAL 137 Ca 0.54 -1.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.42 3m82 s VAL 137 Cb -0.32 -4.47 0.05 0.00 0.00 0.00 0.00 36.38 31.64 3m82 s VAL 137 CO 0.35 -1.05 0.46 0.47 0.00 0.00 0.00 175.10 175.34 3m82 n ASP 138 N 4.82 -1.90 -4.54 3.32 8.00 -1.26 -4.88 116.55 120.11 3m82 n ASP 138 Ca 0.05 0.33 -0.54 0.00 0.71 0.00 0.00 54.79 55.34 3m82 n ASP 138 Cb 0.45 -1.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.26 3m82 n ASP 138 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3m82 n PRO 139 N -1.91 0.59 -3.74 -0.24 -0.02 -1.26 -4.81 135.00 123.61 3m82 n PRO 139 Ca 0.07 0.21 -0.10 0.00 -2.02 0.00 0.00 63.50 61.66 3m82 n PRO 139 Cb 0.53 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.22 3m82 n PRO 139 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3m82 s GLN 140 N 0.08 0.94 0.35 -0.52 -2.07 -1.26 -4.88 119.66 112.29 3m82 s GLN 140 Ca 0.85 -0.78 -0.25 0.00 -1.82 0.00 0.00 55.36 53.36 3m82 s GLN 140 Cb -1.08 0.40 -0.10 0.00 -1.09 0.00 0.00 33.01 31.14 3m82 s GLN 140 CO 0.52 -0.33 0.98 -0.47 -1.32 0.00 0.00 175.29 174.68 3m82 s TYR 141 N -3.63 3.55 -0.10 9.60 5.04 -1.26 -4.98 117.35 125.57 3m82 s TYR 141 Ca 0.02 1.73 -0.41 0.00 -2.44 0.00 0.00 57.07 55.98 3m82 s TYR 141 Cb 0.03 -3.00 -0.19 0.00 0.35 0.00 0.00 41.96 39.15 3m82 s TYR 141 CO -0.10 -0.08 1.31 -2.30 -1.34 0.00 0.00 175.55 173.04 3m82 n PRO 142 N 0.37 0.41 0.00 4.97 -0.02 -1.26 -4.69 135.00 134.78 3m82 n PRO 142 Ca 0.03 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3m82 n PRO 142 Cb 0.50 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3m82 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m82 n GLY 143 N 2.51 0.36 0.02 -1.23 0.00 -1.26 -4.88 105.19 100.71 3m82 n GLY 143 Ca 0.22 -2.30 0.06 0.00 0.00 0.00 0.00 46.02 44.00 3m82 n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m82 n PHE 144 N 0.00 0.00 -0.01 1.61 3.72 -1.26 -4.48 117.46 117.05 3m82 n PHE 144 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 3m82 n PHE 144 Cb 0.00 -0.40 0.28 0.00 -0.94 0.00 0.00 39.48 38.43 3m82 n PHE 144 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3m82 h MET 145 N 0.00 0.54 -0.41 -1.08 2.86 -1.90 -2.86 114.93 112.09 3m82 h MET 145 Ca -0.05 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3m82 h MET 145 Cb 0.86 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.44 3m82 h MET 145 CO 0.00 0.58 0.00 0.25 1.06 0.00 0.00 176.91 178.80 3m82 n THR 146 N -4.26 1.10 -2.11 2.22 -2.24 -1.26 -4.85 114.28 102.88 3m82 n THR 146 Ca 0.01 -1.06 -0.41 0.00 -2.27 0.00 0.00 64.05 60.33 3m82 n THR 146 Cb 0.26 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 3m82 n THR 146 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3m82 s ARG 147 N -1.13 3.01 -0.10 -0.78 3.52 -1.08 -2.88 118.95 119.51 3m82 s ARG 147 Ca 0.29 0.85 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 3m82 s ARG 147 Cb 0.16 -4.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 3m82 s ARG 147 CO 0.18 -2.26 0.00 0.41 -0.81 0.00 0.00 175.30 172.82 3m82 n GLY 148 N 5.50 0.46 0.00 8.12 0.00 -1.26 -1.18 105.19 116.83 3m82 n GLY 148 Ca 0.19 -0.96 0.07 0.00 0.00 0.00 0.00 46.02 45.33 3m82 n GLY 148 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3m82 n ILE 149 N -2.97 0.92 1.79 -0.61 3.06 -1.14 -2.74 119.36 117.68 3m82 n ILE 149 Ca -0.01 0.23 0.15 0.00 -2.50 0.00 0.00 62.75 60.62 3m82 n ILE 149 Cb 0.03 -1.00 0.77 0.00 0.54 0.00 0.00 39.64 39.99 3m82 n ILE 149 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3m82 n LEU 150 N -1.43 0.62 -3.64 9.51 4.77 -1.26 -4.58 117.00 120.98 3m82 n LEU 150 Ca 0.04 -0.21 -0.06 0.00 -0.03 0.00 0.00 56.01 55.76 3m82 n LEU 150 Cb 0.14 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3m82 n LEU 150 CO 0.12 0.10 0.34 -0.62 -1.33 0.00 0.00 177.39 176.01 3m82 s ASP 151 N -1.99 -0.98 0.56 -1.43 -1.08 -1.11 -4.98 116.67 105.66 3m82 s ASP 151 Ca 0.44 1.51 0.26 0.00 -0.52 0.00 0.00 52.55 54.23 3m82 s ASP 151 Cb 0.21 1.57 1.61 0.00 -1.46 0.00 0.00 42.92 44.86 3m82 s ASP 151 CO 0.35 -0.23 2.19 1.55 0.52 0.00 0.00 175.17 179.55 3m82 h PRO 152 N 7.18 0.00 0.00 4.34 0.13 -1.85 -1.63 132.00 140.18 3m82 h PRO 152 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3m82 h PRO 152 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3m82 h PRO 152 CO 0.15 0.03 -0.21 0.00 -0.23 0.00 0.00 178.00 177.74 3m82 h ARG 153 N 0.00 0.00 -0.02 0.86 3.08 -1.96 -2.99 114.38 113.35 3m82 h ARG 153 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m82 h ARG 153 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3m82 h ARG 153 CO 0.00 0.21 -0.36 0.25 -1.07 0.00 0.00 179.97 179.00 3m82 n THR 154 N -3.64 0.00 -2.37 2.04 -2.24 -0.66 -4.97 114.28 102.45 3m82 n THR 154 Ca -0.01 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 3m82 n THR 154 Cb 0.33 1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.85 3m82 n THR 154 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3m82 s TYR 155 N -2.35 3.41 0.28 4.78 5.04 -0.91 -4.26 117.35 123.34 3m82 s TYR 155 Ca 0.21 1.31 -0.00 0.00 -2.44 0.00 0.00 57.07 56.14 3m82 s TYR 155 Cb 0.18 -3.46 0.65 0.00 0.35 0.00 0.00 41.96 39.68 3m82 s TYR 155 CO 0.50 -1.38 1.62 -0.92 -1.34 0.00 0.00 175.55 174.03 3m82 h TYR 156 N 6.07 0.14 0.00 4.97 3.20 -1.43 -0.85 116.97 129.07 3m82 h TYR 156 Ca -0.43 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3m82 h TYR 156 Cb 1.21 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3m82 h TYR 156 CO 0.65 -0.28 0.00 0.66 -1.64 0.00 0.00 178.16 177.55 3m82 n TYR 157 N -5.33 0.69 -0.26 -3.82 4.01 -1.26 -2.20 117.16 108.99 3m82 n TYR 157 Ca 0.20 0.21 -0.03 0.00 -0.16 0.00 0.00 57.90 58.12 3m82 n TYR 157 Cb 0.65 -0.85 0.08 0.00 -0.31 0.00 0.00 39.34 38.91 3m82 n TYR 157 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3m82 h ARG 158 N 0.00 0.88 -0.23 -0.72 2.43 -1.44 -0.66 114.38 114.64 3m82 h ARG 158 Ca 0.00 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 3m82 h ARG 158 Cb 0.61 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3m82 h ARG 158 CO 0.00 0.58 -0.31 0.00 -1.51 0.00 0.00 179.97 178.73 3m82 h ARG 159 N 0.91 0.61 -0.25 0.20 3.08 -1.55 -2.65 114.38 114.74 3m82 h ARG 159 Ca 0.29 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3m82 h ARG 159 Cb 0.01 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3m82 h ARG 159 CO -0.11 0.96 0.09 0.28 -1.07 0.00 0.00 179.97 180.12 3m82 h VAL 160 N 0.31 1.19 -0.48 2.04 2.07 -1.46 -1.07 116.25 118.84 3m82 h VAL 160 Ca 0.03 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 3m82 h VAL 160 Cb 0.89 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3m82 h VAL 160 CO 0.07 0.19 0.10 -0.26 0.02 0.00 0.00 177.57 177.69 3m82 h PHE 161 N 0.24 0.76 -0.21 1.57 0.04 -1.19 -1.43 116.94 116.72 3m82 h PHE 161 Ca 0.08 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 3m82 h PHE 161 Cb 0.21 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 3m82 h PHE 161 CO -0.00 0.65 -0.14 1.15 -0.60 0.00 0.00 178.31 179.37 3m82 h THR 162 N 0.71 1.32 -0.85 -1.55 2.02 -1.36 -2.13 112.91 111.07 3m82 h THR 162 Ca 0.16 -1.26 0.18 0.00 0.77 0.00 0.00 66.41 66.26 3m82 h THR 162 Cb 0.29 1.69 -0.11 0.00 -1.74 0.00 0.00 68.15 68.28 3m82 h THR 162 CO 0.00 0.38 0.39 0.44 0.37 0.00 0.00 175.52 177.10 3m82 h ASP 163 N 0.15 0.39 0.05 4.18 3.32 -1.00 -2.18 116.42 121.34 3m82 h ASP 163 Ca 0.04 0.12 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 3m82 h ASP 163 Cb 0.66 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3m82 h ASP 163 CO 0.04 0.10 -0.47 0.00 -1.72 0.00 0.00 179.24 177.20 3m82 h ALA 164 N 1.62 0.84 -0.32 3.45 0.00 -1.03 -0.16 119.26 123.67 3m82 h ALA 164 Ca 0.49 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3m82 h ALA 164 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3m82 h ALA 164 CO -0.44 0.66 -0.26 0.28 0.00 0.00 0.00 179.25 179.49 3m82 h VAL 165 N 0.39 1.29 0.00 0.00 2.07 -1.17 -3.14 116.25 115.70 3m82 h VAL 165 Ca 0.02 -1.42 -0.06 0.00 0.82 0.00 0.00 66.70 66.06 3m82 h VAL 165 Cb 0.97 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3m82 h VAL 165 CO 0.09 0.46 -0.31 0.03 0.02 0.00 0.00 177.57 177.86 3m82 h ARG 166 N 0.49 0.00 -0.34 1.57 2.47 -1.19 -2.91 114.38 114.48 3m82 h ARG 166 Ca 0.06 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 3m82 h ARG 166 Cb 0.82 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 3m82 h ARG 166 CO 0.07 0.31 0.02 0.00 0.56 0.00 0.00 179.97 180.93 3m82 h ALA 167 N 1.69 1.40 -0.51 0.04 0.00 -0.98 -0.39 119.26 120.52 3m82 h ALA 167 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3m82 h ALA 167 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3m82 h ALA 167 CO 0.04 0.42 -0.10 0.28 0.00 0.00 0.00 179.25 179.89 3m82 h VAL 168 N 0.50 1.26 -0.47 0.00 2.07 -1.52 -0.54 116.25 117.56 3m82 h VAL 168 Ca 0.11 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.30 3m82 h VAL 168 Cb 0.30 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3m82 h VAL 168 CO 0.01 0.43 -0.15 -0.33 0.02 0.00 0.00 177.57 177.54 3m82 h GLU 169 N 0.84 0.91 -0.23 1.57 4.39 -1.47 -0.70 114.58 119.90 3m82 h GLU 169 Ca 0.14 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 3m82 h GLU 169 Cb 0.63 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 3m82 h GLU 169 CO 0.04 1.00 0.03 0.00 -1.16 0.00 0.00 179.01 178.92 3m82 h ALA 170 N 1.01 0.30 -0.21 3.43 0.00 -0.97 -2.55 119.26 120.27 3m82 h ALA 170 Ca 0.12 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3m82 h ALA 170 Cb 0.69 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3m82 h ALA 170 CO 0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 179.25 179.15 3m82 h ALA 171 N 0.84 0.03 0.00 0.00 0.00 -0.94 -2.26 119.26 116.93 3m82 h ALA 171 Ca 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3m82 h ALA 171 Cb 0.33 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3m82 h ALA 171 CO 0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 179.25 178.68 3m82 h ALA 172 N 1.03 1.44 0.00 0.00 0.00 -1.09 -0.91 119.26 119.72 3m82 h ALA 172 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3m82 h ALA 172 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3m82 h ALA 172 CO -0.29 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.64 3m82 h SER 173 N 0.00 0.00 -3.09 0.00 4.64 -0.97 -3.45 113.55 110.69 3m82 h SER 173 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3m82 h SER 173 Cb 0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3m82 h SER 173 CO 0.00 0.00 0.65 0.12 -0.87 0.00 0.00 176.83 176.73 3m82 s PHE 174 N -3.47 3.32 0.49 4.77 5.36 -0.35 -4.91 117.98 123.19 3m82 s PHE 174 Ca 0.04 1.12 0.15 0.00 -0.96 0.00 0.00 56.93 57.27 3m82 s PHE 174 Cb 0.09 -3.55 1.15 0.00 -0.34 0.00 0.00 43.02 40.36 3m82 s PHE 174 CO 0.53 -1.85 2.09 -1.35 -1.46 0.00 0.00 175.22 173.19 3m82 h PRO 175 N 6.86 0.05 -0.00 10.12 0.11 -1.89 -2.15 132.00 145.11 3m82 h PRO 175 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3m82 h PRO 175 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3m82 h PRO 175 CO 0.84 0.09 -0.31 0.94 -0.21 0.00 0.00 178.00 179.35 3m82 n GLN 176 N -4.47 0.10 -2.41 1.05 7.27 -1.26 -4.85 117.38 112.80 3m82 n GLN 176 Ca -0.02 -0.04 -0.42 0.00 0.07 0.00 0.00 57.00 56.58 3m82 n GLN 176 Cb 0.13 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.26 3m82 n GLN 176 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3m82 s VAL 177 N -2.93 4.17 -0.38 1.69 1.01 -0.81 -0.42 120.40 122.73 3m82 s VAL 177 Ca 0.14 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 3m82 s VAL 177 Cb 0.18 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3m82 s VAL 177 CO 0.62 -0.03 1.28 -0.62 0.00 0.00 0.00 175.10 176.35 3m82 s ASP 178 N 1.64 6.58 0.38 3.32 -1.08 0.57 -4.79 116.67 123.29 3m82 s ASP 178 Ca 0.57 0.90 0.28 0.00 -0.52 0.00 0.00 52.55 53.78 3m82 s ASP 178 Cb -0.25 -2.54 1.10 0.00 -1.46 0.00 0.00 42.92 39.76 3m82 s ASP 178 CO 0.21 -1.21 1.82 1.56 0.52 0.00 0.00 175.17 178.07 3m82 h GLN 179 N 9.60 0.00 -0.00 4.34 4.20 -1.93 -2.14 115.11 129.18 3m82 h GLN 179 Ca -0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3m82 h GLN 179 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3m82 h GLN 179 CO 1.07 0.00 -0.05 0.39 -0.67 0.00 0.00 178.83 179.57 3m82 n GLU 180 N -2.61 0.24 -2.70 1.46 -0.58 -1.26 -4.06 120.64 111.13 3m82 n GLU 180 Ca 0.02 -0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.54 3m82 n GLU 180 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 3m82 n GLU 180 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3m82 n ARG 181 N -1.36 2.16 -3.52 3.49 1.74 -0.80 -4.92 116.66 113.44 3m82 n ARG 181 Ca 0.10 -3.89 -0.38 0.00 -0.77 0.00 0.00 57.85 52.91 3m82 n ARG 181 Cb 0.30 -1.77 -0.10 0.00 -1.02 0.00 0.00 32.46 29.87 3m82 n ARG 181 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3m82 s ILE 182 N -4.02 5.26 -0.10 0.55 1.01 -1.25 -1.41 121.20 121.24 3m82 s ILE 182 Ca 0.39 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 61.33 3m82 s ILE 182 Cb 0.40 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3m82 s ILE 182 CO -0.08 0.23 0.04 -0.69 0.00 0.00 0.00 174.94 174.44 3m82 s VAL 183 N 1.79 4.61 -0.12 2.92 1.01 0.55 -0.48 120.40 130.67 3m82 s VAL 183 Ca 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 3m82 s VAL 183 Cb -0.16 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3m82 s VAL 183 CO 0.10 0.59 0.01 0.27 0.00 0.00 0.00 175.10 176.08 3m82 s ILE 184 N -0.78 4.38 -0.05 2.22 -4.36 0.02 -0.22 121.20 122.41 3m82 s ILE 184 Ca 0.12 -0.20 -0.04 0.00 -0.26 0.00 0.00 60.65 60.27 3m82 s ILE 184 Cb -0.12 -2.89 0.02 0.00 1.25 0.00 0.00 42.46 40.72 3m82 s ILE 184 CO 0.03 0.55 0.13 0.00 0.24 0.00 0.00 174.94 175.88 3m82 s ALA 185 N -0.33 -0.31 -0.17 2.27 0.00 -0.10 -0.34 121.76 122.78 3m82 s ALA 185 Ca 0.07 0.41 -0.32 0.00 0.00 0.00 0.00 51.96 52.12 3m82 s ALA 185 Cb -0.12 -0.24 0.14 0.00 0.00 0.00 0.00 23.12 22.89 3m82 s ALA 185 CO 0.02 -0.07 1.14 0.20 0.00 0.00 0.00 175.76 177.05 3m82 s GLY 186 N 0.23 -0.25 -0.47 0.00 0.00 -0.86 -1.12 107.32 104.85 3m82 s GLY 186 Ca -0.01 1.82 0.04 0.00 0.00 0.00 0.00 44.72 46.57 3m82 s GLY 186 CO -0.01 0.71 1.28 0.61 0.00 0.00 0.00 173.10 175.69 3m82 n GLY 187 N 0.17 6.03 0.00 0.20 0.00 -1.26 -1.61 105.19 108.72 3m82 n GLY 187 Ca -0.03 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.29 3m82 n GLY 187 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3m82 n GLN 189 N -0.55 0.00 -0.14 1.61 7.27 -1.26 -3.15 117.38 121.16 3m82 n GLN 189 Ca 0.43 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.52 3m82 n GLN 189 Cb 0.67 0.00 0.32 0.00 2.41 0.00 0.00 30.24 33.64 3m82 n GLN 189 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3m82 h GLY 190 N 0.00 0.88 0.99 1.69 0.00 -1.79 -0.82 103.07 104.02 3m82 h GLY 190 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3m82 h GLY 190 CO 0.00 0.30 0.05 -1.33 0.00 0.00 0.00 176.54 175.57 3m82 h GLY 191 N 0.83 0.88 1.03 4.60 0.00 -1.49 -0.25 103.07 108.67 3m82 h GLY 191 Ca 0.24 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 3m82 h GLY 191 CO -0.06 0.56 -0.01 -1.33 0.00 0.00 0.00 176.54 175.70 3m82 h GLY 192 N 0.69 1.01 0.94 4.60 0.00 -1.45 -0.89 103.07 107.96 3m82 h GLY 192 Ca 0.14 -0.75 0.01 0.00 0.00 0.00 0.00 47.33 46.73 3m82 h GLY 192 CO 0.01 0.69 -0.02 -2.22 0.00 0.00 0.00 176.54 175.01 3m82 h ILE 193 N 0.80 0.95 -0.80 2.60 2.04 -1.13 -2.54 117.51 119.44 3m82 h ILE 193 Ca 0.15 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 3m82 h ILE 193 Cb 0.55 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3m82 h ILE 193 CO 0.03 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.71 3m82 h ALA 194 N 0.99 1.43 -0.49 1.87 0.00 -0.90 -1.42 119.26 120.74 3m82 h ALA 194 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3m82 h ALA 194 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3m82 h ALA 194 CO -0.03 0.53 0.14 1.25 0.00 0.00 0.00 179.25 181.14 3m82 h LEU 195 N 1.09 0.73 -0.56 0.00 5.85 -1.08 0.11 115.31 121.44 3m82 h LEU 195 Ca 0.29 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3m82 h LEU 195 Cb -0.12 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 3m82 h LEU 195 CO -0.06 0.75 0.36 0.00 -0.34 0.00 0.00 178.44 179.15 3m82 h ALA 196 N 1.00 0.72 -0.36 1.25 0.00 -0.98 -2.83 119.26 118.06 3m82 h ALA 196 Ca 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3m82 h ALA 196 Cb 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3m82 h ALA 196 CO -0.00 0.12 -0.03 0.28 0.00 0.00 0.00 179.25 179.62 3m82 h VAL 197 N 0.73 1.22 -0.05 0.00 2.07 -0.83 -1.70 116.25 117.69 3m82 h VAL 197 Ca 0.21 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.85 3m82 h VAL 197 Cb -0.05 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3m82 h VAL 197 CO -0.06 0.31 0.06 0.77 0.02 0.00 0.00 177.57 178.66 3m82 h SER 198 N 0.55 0.00 0.19 0.57 4.64 -0.53 0.17 113.55 119.14 3m82 h SER 198 Ca 0.11 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.09 3m82 h SER 198 Cb 0.40 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.43 3m82 h SER 198 CO 0.02 0.00 -2.12 0.00 -0.87 0.00 0.00 176.83 173.86 3m82 n ALA 199 N -2.35 1.44 -0.01 5.18 0.00 -0.91 -4.33 120.51 119.54 3m82 n ALA 199 Ca -0.02 -1.04 0.04 0.00 0.00 0.00 0.00 53.44 52.42 3m82 n ALA 199 Cb 0.15 -0.46 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 3m82 n ALA 199 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m82 n LEU 200 N -2.97 0.28 -4.83 0.00 4.77 -0.69 -4.89 117.00 108.67 3m82 n LEU 200 Ca -0.28 0.12 -0.35 0.00 -0.03 0.00 0.00 56.01 55.46 3m82 n LEU 200 Cb 1.09 0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 42.25 3m82 n LEU 200 CO 0.42 0.12 0.35 -0.55 -1.33 0.00 0.00 177.39 176.40 3m82 s SER 201 N -5.10 6.94 0.00 -1.43 0.15 0.01 -4.98 113.70 109.30 3m82 s SER 201 Ca -0.07 1.28 0.20 0.00 0.70 0.00 0.00 55.95 58.06 3m82 s SER 201 Cb 0.11 -2.37 -0.20 0.00 -1.71 0.00 0.00 66.02 61.85 3m82 s SER 201 CO 0.86 0.03 0.86 0.29 1.20 0.00 0.00 173.24 176.48 3m82 n LYS 202 N 0.61 0.46 0.01 5.44 4.76 -1.26 -4.55 118.16 123.62 3m82 n LYS 202 Ca -0.03 -0.07 0.08 0.00 -2.87 0.00 0.00 58.31 55.43 3m82 n LYS 202 Cb 0.52 -1.44 -0.13 0.00 -1.84 0.00 0.00 35.03 32.13 3m82 n LYS 202 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3m82 n LYS 203 N -1.37 0.65 -2.32 1.97 4.76 -1.26 -4.96 118.16 115.63 3m82 n LYS 203 Ca 0.04 -0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 54.98 3m82 n LYS 203 Cb 0.32 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 3m82 n LYS 203 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m82 s ALA 204 N -3.35 3.46 -0.03 7.82 0.00 -1.26 -4.74 121.76 123.65 3m82 s ALA 204 Ca -0.06 1.03 0.09 0.00 0.00 0.00 0.00 51.96 53.02 3m82 s ALA 204 Cb 0.12 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.68 3m82 s ALA 204 CO 0.87 -0.40 0.17 1.63 0.00 0.00 0.00 175.76 178.03 3m82 n LYS 205 N 1.86 0.89 -3.79 0.00 4.76 0.37 -4.96 118.16 117.28 3m82 n LYS 205 Ca 0.02 -0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.27 3m82 n LYS 205 Cb 0.44 -1.23 -0.09 0.00 -1.84 0.00 0.00 35.03 32.31 3m82 n LYS 205 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m82 s ALA 206 N -2.56 -0.63 -0.10 7.82 0.00 -1.16 -4.24 121.76 120.89 3m82 s ALA 206 Ca -0.04 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3m82 s ALA 206 Cb 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3m82 s ALA 206 CO 0.40 -0.29 -0.20 -1.17 0.00 0.00 0.00 175.76 174.51 3m82 s LEU 207 N -1.55 2.36 -0.24 0.00 2.96 -0.22 -0.80 118.68 121.19 3m82 s LEU 207 Ca -0.11 -0.44 -0.03 0.00 -0.22 0.00 0.00 54.13 53.33 3m82 s LEU 207 Cb -0.04 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.17 3m82 s LEU 207 CO 0.02 0.19 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.44 3m82 s LEU 208 N 0.16 3.10 -0.33 -0.68 1.43 0.54 -1.41 118.68 121.50 3m82 s LEU 208 Ca -0.11 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 3m82 s LEU 208 Cb -0.16 -1.71 0.10 0.00 0.03 0.00 0.00 46.19 44.45 3m82 s LEU 208 CO 0.06 -0.09 0.10 0.00 0.23 0.00 0.00 176.35 176.65 3m82 s ASP 210 N 1.40 5.81 -1.06 0.00 1.01 -0.63 -1.87 116.67 121.32 3m82 s ASP 210 Ca 0.11 0.26 -0.08 0.00 0.71 0.00 0.00 52.55 53.55 3m82 s ASP 210 Cb -0.18 -1.83 0.01 0.00 1.01 0.00 0.00 42.92 41.93 3m82 s ASP 210 CO -0.20 0.34 0.15 1.33 0.21 0.00 0.00 175.17 177.00 3m82 n VAL 211 N 2.40 -1.09 -1.86 -1.27 0.24 -0.57 -4.26 118.33 111.92 3m82 n VAL 211 Ca -0.19 -0.39 -0.41 0.00 -2.04 0.00 0.00 64.34 61.31 3m82 n VAL 211 Cb 0.54 -1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 31.89 3m82 n VAL 211 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3m82 s PRO 212 N -6.41 4.17 0.37 7.34 0.04 -1.26 -4.78 135.00 134.48 3m82 s PRO 212 Ca 0.11 2.48 0.07 0.00 0.04 0.00 0.00 61.00 63.70 3m82 s PRO 212 Cb -0.06 -3.04 -0.00 0.00 0.04 0.00 0.00 34.50 31.44 3m82 s PRO 212 CO 0.73 -0.54 0.52 0.12 0.04 0.00 0.00 177.00 177.87 3m82 s PHE 213 N -0.23 3.01 -0.62 0.56 5.36 -1.26 -4.65 117.98 120.14 3m82 s PHE 213 Ca 0.60 -0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 56.29 3m82 s PHE 213 Cb -0.46 -2.16 0.00 0.00 -0.34 0.00 0.00 43.02 40.07 3m82 s PHE 213 CO 0.49 -0.19 0.31 1.28 -1.46 0.00 0.00 175.22 175.66 3m82 n LEU 214 N -1.75 -2.15 -4.06 6.12 4.77 -1.26 -3.42 117.00 115.25 3m82 n LEU 214 Ca 0.03 -0.15 -0.22 0.00 -0.03 0.00 0.00 56.01 55.64 3m82 n LEU 214 Cb 0.58 -1.53 -0.16 0.00 -2.33 0.00 0.00 43.42 39.99 3m82 n LEU 214 CO 0.41 0.14 -0.46 0.00 -1.33 0.00 0.00 177.39 176.15 3m82 n HIS 216 N 3.15 -1.77 -0.32 0.00 -0.00 -1.26 -4.68 115.22 110.35 3m82 n HIS 216 Ca -0.17 0.64 0.12 0.00 0.46 0.00 0.00 57.72 58.77 3m82 n HIS 216 Cb 0.54 -3.70 0.30 0.00 -0.12 0.00 0.00 29.99 27.01 3m82 n HIS 216 CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 3m82 h PHE 217 N -1.88 0.80 -0.70 1.57 0.04 -1.95 -0.82 116.94 114.01 3m82 h PHE 217 Ca -0.64 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.10 3m82 h PHE 217 Cb 1.37 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 39.27 3m82 h PHE 217 CO 0.43 0.08 0.19 -0.09 -0.60 0.00 0.00 178.31 178.32 3m82 h ARG 218 N 0.55 1.10 -0.11 1.51 9.65 -1.99 -2.08 114.38 123.01 3m82 h ARG 218 Ca 0.55 -0.25 -0.08 0.00 -1.10 0.00 0.00 59.98 59.10 3m82 h ARG 218 Cb 0.95 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 3m82 h ARG 218 CO -0.45 0.96 -0.26 -0.09 2.80 0.00 0.00 179.97 182.93 3m82 h ARG 219 N 1.03 0.36 -0.70 0.20 9.65 -1.73 -3.15 114.38 120.05 3m82 h ARG 219 Ca 0.22 -0.25 0.14 0.00 -1.10 0.00 0.00 59.98 59.00 3m82 h ARG 219 Cb 0.33 0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 28.85 3m82 h ARG 219 CO -0.00 0.85 0.18 0.00 2.80 0.00 0.00 179.97 183.80 3m82 h ALA 220 N 0.51 0.89 0.00 2.80 0.00 -0.93 -1.77 119.26 120.76 3m82 h ALA 220 Ca -0.00 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3m82 h ALA 220 Cb 0.86 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3m82 h ALA 220 CO 0.06 -0.31 -0.38 0.28 0.00 0.00 0.00 179.25 178.90 3m82 h VAL 221 N 0.29 0.75 0.00 0.00 2.07 -1.46 -2.02 116.25 115.88 3m82 h VAL 221 Ca 0.38 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3m82 h VAL 221 Cb 0.62 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3m82 h VAL 221 CO -0.46 0.37 -0.46 0.06 0.02 0.00 0.00 177.57 177.10 3m82 h GLN 222 N 0.00 0.00 0.05 1.57 3.07 -1.41 -3.41 115.11 114.98 3m82 h GLN 222 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.38 3m82 h GLN 222 Cb 1.08 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.60 3m82 h GLN 222 CO 0.05 0.00 -2.00 -0.11 0.09 0.00 0.00 178.83 176.86 3m82 n LEU 223 N -2.68 2.43 -4.32 0.06 0.00 -0.70 -5.00 117.00 106.79 3m82 n LEU 223 Ca 0.03 0.20 -0.24 0.00 0.00 0.00 0.00 56.01 56.00 3m82 n LEU 223 Cb 0.51 -1.00 -0.12 0.00 0.00 0.00 0.00 43.42 42.81 3m82 n LEU 223 CO 0.36 0.70 -0.52 0.68 0.00 0.00 0.00 177.39 178.61 3m82 s VAL 224 N -2.50 1.85 -0.38 1.96 -7.23 -0.80 -5.03 120.40 108.27 3m82 s VAL 224 Ca -0.29 -1.67 0.13 0.00 -1.81 0.00 0.00 61.98 58.34 3m82 s VAL 224 Cb 0.08 -1.70 0.34 0.00 0.56 0.00 0.00 36.38 35.66 3m82 s VAL 224 CO 0.65 -0.09 1.26 -0.90 -0.31 0.00 0.00 175.10 175.72 3m82 n ASP 225 N 0.87 3.05 -4.86 4.85 5.75 -1.26 -4.68 116.55 120.27 3m82 n ASP 225 Ca -0.18 -2.55 -0.31 0.00 -0.01 0.00 0.00 54.79 51.74 3m82 n ASP 225 Cb 0.54 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 3m82 n ASP 225 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3m82 s THR 226 N -1.97 4.64 0.39 2.12 -4.23 -1.26 -4.71 115.64 110.61 3m82 s THR 226 Ca 0.28 0.99 -0.17 0.00 -1.18 0.00 0.00 61.69 61.61 3m82 s THR 226 Cb 0.21 -3.79 -0.09 0.00 1.34 0.00 0.00 72.50 70.16 3m82 s THR 226 CO 0.09 -0.89 0.84 -1.00 -0.54 0.00 0.00 174.62 173.12 3m82 s HIS 227 N -2.85 3.37 -0.94 3.99 3.76 -1.26 -1.05 115.29 120.30 3m82 s HIS 227 Ca 0.56 1.36 0.27 0.00 -0.15 0.00 0.00 55.06 57.10 3m82 s HIS 227 Cb -0.10 -2.66 0.82 0.00 1.11 0.00 0.00 32.58 31.74 3m82 s HIS 227 CO 0.42 -0.05 1.65 -0.35 -0.85 0.00 0.00 174.74 175.56 3m82 n PRO 228 N -0.68 0.05 -0.06 8.40 -0.05 -1.26 -4.88 135.00 136.51 3m82 n PRO 228 Ca 0.05 0.03 0.15 0.00 -0.05 0.00 0.00 63.50 63.67 3m82 n PRO 228 Cb 0.54 -1.54 0.56 0.00 -0.05 0.00 0.00 33.50 33.00 3m82 n PRO 228 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3m82 h TYR 229 N 0.00 0.30 -0.00 0.54 0.05 -1.86 -1.66 116.97 114.34 3m82 h TYR 229 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3m82 h TYR 229 Cb 0.54 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 3m82 h TYR 229 CO 0.00 0.13 0.03 0.00 -1.05 0.00 0.00 178.16 177.27 3m82 h ALA 230 N 1.71 1.04 -0.79 3.88 0.00 -1.37 -2.15 119.26 121.57 3m82 h ALA 230 Ca 0.28 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3m82 h ALA 230 Cb 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3m82 h ALA 230 CO -0.06 -0.03 0.37 0.93 0.00 0.00 0.00 179.25 180.46 3m82 h GLU 231 N 0.00 1.13 -0.09 0.00 5.08 -1.59 -1.06 114.58 118.06 3m82 h GLU 231 Ca 0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3m82 h GLU 231 Cb 0.06 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3m82 h GLU 231 CO -0.00 0.88 -0.04 0.82 -1.00 0.00 0.00 179.01 179.67 3m82 h ILE 232 N 1.12 1.32 -0.44 3.13 2.04 -1.57 -2.21 117.51 120.90 3m82 h ILE 232 Ca 0.27 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 65.15 3m82 h ILE 232 Cb 0.13 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 3m82 h ILE 232 CO -0.03 0.29 0.15 0.74 0.00 0.00 0.00 178.15 179.30 3m82 h THR 233 N -0.16 0.85 -0.74 -0.27 2.02 -1.52 -0.77 112.91 112.31 3m82 h THR 233 Ca 0.02 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3m82 h THR 233 Cb 0.48 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3m82 h THR 233 CO 0.01 0.06 0.40 0.78 0.37 0.00 0.00 175.52 177.14 3m82 h ASN 234 N 0.31 0.93 -0.45 4.18 2.35 -1.18 0.96 115.58 122.68 3m82 h ASN 234 Ca 0.21 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 3m82 h ASN 234 Cb 0.21 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 3m82 h ASN 234 CO -0.22 0.76 0.20 0.15 -1.65 0.00 0.00 177.43 176.67 3m82 h PHE 235 N 1.02 0.37 -0.32 1.19 3.04 -1.06 -3.03 116.94 118.16 3m82 h PHE 235 Ca 0.26 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.16 3m82 h PHE 235 Cb 0.04 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 3m82 h PHE 235 CO -0.00 0.17 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.29 3m82 h LEU 236 N 0.41 0.51 -1.54 0.59 3.38 -0.56 0.50 115.31 118.60 3m82 h LEU 236 Ca 0.20 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3m82 h LEU 236 Cb 0.13 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3m82 h LEU 236 CO -0.16 0.65 0.44 0.11 0.09 0.00 0.00 178.44 179.57 3m82 h LYS 237 N 0.49 0.51 0.00 1.13 1.57 -0.71 -3.28 116.57 116.29 3m82 h LYS 237 Ca 0.09 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 3m82 h LYS 237 Cb 0.48 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3m82 h LYS 237 CO 0.03 0.34 -1.12 2.41 -0.57 0.00 0.00 179.45 180.53 3m82 n THR 238 N -4.48 1.50 -2.44 -0.16 -1.04 -1.05 -4.60 114.28 102.01 3m82 n THR 238 Ca 0.11 0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 3m82 n THR 238 Cb 0.34 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 3m82 n THR 238 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3m82 n HIS 239 N -4.47 3.34 0.28 -1.42 8.25 0.14 -4.77 115.22 116.56 3m82 n HIS 239 Ca -0.26 -2.90 0.17 0.00 -0.26 0.00 0.00 57.72 54.47 3m82 n HIS 239 Cb 0.58 -2.01 0.70 0.00 1.12 0.00 0.00 29.99 30.39 3m82 n HIS 239 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m82 h ARG 240 N 6.02 0.00 -0.00 -0.41 3.08 -1.81 -1.92 114.38 119.34 3m82 h ARG 240 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3m82 h ARG 240 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3m82 h ARG 240 CO 1.56 0.01 -0.02 -0.40 -1.07 0.00 0.00 179.97 180.05 3m82 n ASP 241 N -3.11 0.20 -0.51 7.04 5.75 -1.26 -4.39 116.55 120.27 3m82 n ASP 241 Ca 0.00 -0.71 0.05 0.00 -0.01 0.00 0.00 54.79 54.12 3m82 n ASP 241 Cb 0.30 -0.10 0.12 0.00 -1.03 0.00 0.00 41.12 40.41 3m82 n ASP 241 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3m82 n LYS 242 N -0.99 2.71 0.00 0.11 4.76 -0.72 -4.76 118.16 119.28 3m82 n LYS 242 Ca 0.19 -1.88 -0.10 0.00 -2.87 0.00 0.00 58.31 53.64 3m82 n LYS 242 Cb 0.20 -1.22 -0.05 0.00 -1.84 0.00 0.00 35.03 32.12 3m82 n LYS 242 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3m82 h GLU 243 N 1.66 0.00 -0.31 1.97 4.81 -1.77 -0.70 114.58 120.24 3m82 h GLU 243 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3m82 h GLU 243 Cb 0.67 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3m82 h GLU 243 CO 0.00 0.00 0.13 1.49 -0.73 0.00 0.00 179.01 179.90 3m82 h GLU 244 N 0.00 0.46 -0.64 1.92 4.81 -1.95 -2.61 114.58 116.57 3m82 h GLU 244 Ca 0.04 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3m82 h GLU 244 Cb 0.06 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3m82 h GLU 244 CO -0.09 0.45 0.39 0.82 -0.73 0.00 0.00 179.01 179.86 3m82 h ILE 245 N 0.36 1.08 -0.29 2.32 2.04 -1.85 -1.12 117.51 120.04 3m82 h ILE 245 Ca 0.10 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3m82 h ILE 245 Cb 0.16 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3m82 h ILE 245 CO -0.01 0.14 0.15 0.58 0.00 0.00 0.00 178.15 179.01 3m82 h VAL 246 N 0.78 1.14 0.00 1.67 2.07 -0.95 -1.06 116.25 119.89 3m82 h VAL 246 Ca 0.26 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 3m82 h VAL 246 Cb 0.02 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3m82 h VAL 246 CO -0.10 0.14 -0.52 -0.26 0.02 0.00 0.00 177.57 176.85 3m82 h PHE 247 N 0.35 0.00 0.07 1.57 0.04 -1.36 -1.53 116.94 116.08 3m82 h PHE 247 Ca 0.10 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 3m82 h PHE 247 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3m82 h PHE 247 CO -0.03 0.52 -0.03 -0.09 -0.60 0.00 0.00 178.31 178.08 3m82 h ARG 248 N 0.00 -0.09 -0.22 1.51 2.43 -0.97 -2.21 114.38 114.83 3m82 h ARG 248 Ca -0.01 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3m82 h ARG 248 Cb 1.10 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 3m82 h ARG 248 CO 0.07 0.09 -0.08 1.15 -1.51 0.00 0.00 179.97 179.69 3m82 h THR 249 N -0.25 0.73 0.00 0.20 2.02 -1.03 -2.83 112.91 111.75 3m82 h THR 249 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3m82 h THR 249 Cb 0.22 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3m82 h THR 249 CO 0.02 0.00 -0.05 -0.07 0.37 0.00 0.00 175.52 175.79 3m82 h LEU 250 N -0.03 0.00 -1.89 2.58 3.38 -1.22 -2.52 115.31 115.61 3m82 h LEU 250 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3m82 h LEU 250 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3m82 h LEU 250 CO -0.25 0.05 0.08 0.77 0.09 0.00 0.00 178.44 179.18 3m82 h SER 251 N 0.00 0.13 0.89 -0.43 4.64 -1.13 -1.70 113.55 115.95 3m82 h SER 251 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m82 h SER 251 Cb 0.10 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3m82 h SER 251 CO 0.01 0.09 0.00 -1.22 -0.87 0.00 0.00 176.83 174.84 3m82 n TYR 252 N -4.52 0.45 -0.08 4.77 4.02 -0.95 -3.51 117.16 117.35 3m82 n TYR 252 Ca -0.01 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 3m82 n TYR 252 Cb 0.09 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 38.65 3m82 n TYR 252 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3m82 n PHE 253 N -1.89 0.00 -2.66 -0.72 3.72 -0.67 -5.03 117.46 110.21 3m82 n PHE 253 Ca 0.04 -0.42 -0.43 0.00 -0.05 0.00 0.00 57.45 56.59 3m82 n PHE 253 Cb 0.28 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 3m82 n PHE 253 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3m82 s ASP 254 N -0.85 7.09 0.56 4.37 -1.08 -1.01 -4.86 116.67 120.88 3m82 s ASP 254 Ca 0.00 1.37 0.25 0.00 -0.52 0.00 0.00 52.55 53.65 3m82 s ASP 254 Cb 0.00 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.41 3m82 s ASP 254 CO 0.00 -0.68 2.06 1.23 0.52 0.00 0.00 175.17 178.30 3m82 h GLY 255 N 9.48 0.00 1.01 2.66 0.00 -1.39 -0.79 103.07 114.04 3m82 h GLY 255 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3m82 h GLY 255 CO 0.98 0.00 0.36 -2.08 0.00 0.00 0.00 176.54 175.80 3m82 h VAL 256 N 0.00 1.23 -0.20 4.60 2.07 -1.90 0.17 116.25 122.22 3m82 h VAL 256 Ca 0.14 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 3m82 h VAL 256 Cb 0.65 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3m82 h VAL 256 CO -0.00 0.27 -0.44 0.78 0.02 0.00 0.00 177.57 178.20 3m82 h ASN 257 N 1.01 0.51 -0.30 0.57 2.35 -1.49 -2.72 115.58 115.52 3m82 h ASN 257 Ca 0.25 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 3m82 h ASN 257 Cb 0.10 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3m82 h ASN 257 CO -0.03 0.89 -0.41 -0.26 -1.65 0.00 0.00 177.43 175.97 3m82 h PHE 258 N 0.39 0.98 -0.71 1.19 0.04 -1.40 -3.27 116.94 114.16 3m82 h PHE 258 Ca 0.03 -0.32 0.12 0.00 2.80 0.00 0.00 57.97 60.59 3m82 h PHE 258 Cb 0.93 -0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.80 3m82 h PHE 258 CO 0.03 1.12 0.30 0.00 -0.60 0.00 0.00 178.31 179.17 3m82 h ALA 259 N 0.70 0.98 -0.02 2.45 0.00 -0.56 -1.64 119.26 121.17 3m82 h ALA 259 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3m82 h ALA 259 Cb 1.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3m82 h ALA 259 CO 0.10 -0.15 0.10 0.00 0.00 0.00 0.00 179.25 179.30 3m82 h ALA 260 N 1.48 1.20 0.00 0.00 0.00 -1.52 -2.11 119.26 118.30 3m82 h ALA 260 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3m82 h ALA 260 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3m82 h ALA 260 CO -0.34 -0.11 -0.72 0.54 0.00 0.00 0.00 179.25 178.62 3m82 n ARG 261 N -3.16 2.35 -2.78 0.00 1.74 -0.67 -4.61 116.66 109.54 3m82 n ARG 261 Ca -0.02 -0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.64 3m82 n ARG 261 Cb 0.17 -1.16 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 3m82 n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m82 s ALA 262 N -2.34 3.33 0.00 7.54 0.00 -0.89 -4.81 121.76 124.59 3m82 s ALA 262 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3m82 s ALA 262 Cb 0.10 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3m82 s ALA 262 CO 0.56 0.15 0.00 1.63 0.00 0.00 0.00 175.76 178.10 3m82 n LYS 263 N 1.91 3.14 -2.24 0.00 4.76 -1.26 -1.50 118.16 122.96 3m82 n LYS 263 Ca -0.01 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.10 3m82 n LYS 263 Cb 0.48 -0.76 -0.01 0.00 -1.84 0.00 0.00 35.03 32.90 3m82 n LYS 263 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3m82 s ILE 264 N -1.50 4.13 0.48 -0.18 -4.36 -1.26 -4.23 121.20 114.27 3m82 s ILE 264 Ca 0.00 1.04 -0.24 0.00 -0.26 0.00 0.00 60.65 61.19 3m82 s ILE 264 Cb 0.00 -3.54 -0.07 0.00 1.25 0.00 0.00 42.46 40.11 3m82 s ILE 264 CO 0.00 -0.56 1.34 -2.84 0.24 0.00 0.00 174.94 173.12 3m82 s PRO 265 N -4.00 3.55 0.00 0.37 0.02 -1.26 -4.22 135.00 129.46 3m82 s PRO 265 Ca 0.62 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.85 3m82 s PRO 265 Cb -0.13 -2.49 -0.00 0.00 0.02 0.00 0.00 34.50 31.89 3m82 s PRO 265 CO 0.33 -0.85 -0.02 0.00 -0.33 0.00 0.00 177.00 176.13 3m82 s ALA 266 N -1.30 0.15 -0.23 -1.55 0.00 -0.23 -1.06 121.76 117.54 3m82 s ALA 266 Ca 0.64 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 3m82 s ALA 266 Cb -0.39 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3m82 s ALA 266 CO 0.49 0.01 -0.07 -1.17 0.00 0.00 0.00 175.76 175.02 3m82 s LEU 267 N -0.22 2.95 0.31 0.00 2.96 -0.50 -1.63 118.68 122.54 3m82 s LEU 267 Ca -0.01 -0.67 0.04 0.00 -0.22 0.00 0.00 54.13 53.26 3m82 s LEU 267 Cb -0.02 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3m82 s LEU 267 CO -0.00 -0.07 0.46 -0.36 -1.32 0.00 0.00 176.35 175.05 3m82 s PHE 268 N 1.38 3.39 0.05 5.38 0.40 0.57 -1.16 117.98 127.99 3m82 s PHE 268 Ca 0.03 0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 3m82 s PHE 268 Cb -0.15 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 3m82 s PHE 268 CO -0.05 0.20 -0.06 -1.54 0.70 0.00 0.00 175.22 174.47 3m82 s SER 269 N -4.05 0.77 -0.10 1.36 1.04 -0.78 -1.25 113.70 110.69 3m82 s SER 269 Ca 0.39 -0.73 -0.10 0.00 0.48 0.00 0.00 55.95 55.99 3m82 s SER 269 Cb -0.09 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.14 3m82 s SER 269 CO 0.32 -0.35 0.28 0.54 0.98 0.00 0.00 173.24 175.01 3m82 s VAL 270 N -2.38 0.00 -0.21 5.02 0.11 -0.75 -1.52 120.40 120.67 3m82 s VAL 270 Ca -0.03 -0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.93 3m82 s VAL 270 Cb -0.03 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 3m82 s VAL 270 CO -0.03 -0.02 0.04 -0.83 -3.33 0.00 0.00 175.10 170.93 3m82 s GLY 271 N 0.06 1.77 0.37 6.54 0.00 -1.26 -1.16 107.32 113.65 3m82 s GLY 271 Ca -0.01 -0.98 0.28 0.00 0.00 0.00 0.00 44.72 44.01 3m82 s GLY 271 CO 0.01 0.29 1.82 1.41 0.00 0.00 0.00 173.10 176.62 3m82 h LEU 272 N 7.56 0.00 -3.20 0.66 3.38 -1.40 -2.58 115.31 119.72 3m82 h LEU 272 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3m82 h LEU 272 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3m82 h LEU 272 CO 0.62 0.00 0.00 0.23 0.09 0.00 0.00 178.44 179.38 3m82 n MET 273 N -2.59 3.36 -2.20 1.13 2.81 -0.65 -4.59 117.12 114.40 3m82 n MET 273 Ca 0.02 -2.74 -0.43 0.00 -1.81 0.00 0.00 57.70 52.74 3m82 n MET 273 Cb 0.28 -1.80 -0.02 0.00 -0.71 0.00 0.00 33.22 30.97 3m82 n MET 273 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3m82 s ASP 274 N -1.37 6.41 0.00 7.83 -1.08 -0.97 -4.38 116.67 123.10 3m82 s ASP 274 Ca 0.42 1.44 0.18 0.00 -0.52 0.00 0.00 52.55 54.07 3m82 s ASP 274 Cb 0.30 -2.53 0.39 0.00 -1.46 0.00 0.00 42.92 39.62 3m82 s ASP 274 CO 0.15 -1.26 1.32 -0.46 0.52 0.00 0.00 175.17 175.43 3m82 n ASN 275 N 8.41 3.23 -0.11 -0.34 6.94 -1.26 -3.63 115.26 128.50 3m82 n ASN 275 Ca 0.18 -1.93 -0.21 0.00 -0.02 0.00 0.00 54.58 52.60 3m82 n ASN 275 Cb 0.46 -0.26 -0.09 0.00 -2.36 0.00 0.00 39.78 37.52 3m82 n ASN 275 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3m82 n ILE 276 N 1.15 1.52 -3.94 1.53 2.08 -1.26 -4.58 119.36 115.86 3m82 n ILE 276 Ca 0.17 -0.08 -0.30 0.00 0.56 0.00 0.00 62.75 63.09 3m82 n ILE 276 Cb 0.52 -2.06 -0.14 0.00 -0.75 0.00 0.00 39.64 37.21 3m82 n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m82 s PRO 278 N -0.34 3.32 0.37 0.00 0.02 -1.24 -4.73 135.00 132.39 3m82 s PRO 278 Ca 0.17 2.17 0.12 0.00 0.02 0.00 0.00 61.00 63.49 3m82 s PRO 278 Cb -0.25 -2.34 0.93 0.00 0.02 0.00 0.00 34.50 32.86 3m82 s PRO 278 CO -0.01 -1.03 1.82 -1.35 -0.33 0.00 0.00 177.00 176.10 3m82 h PRO 279 N 1.68 0.56 -0.14 5.54 0.11 -1.77 -0.68 132.00 137.30 3m82 h PRO 279 Ca -0.51 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 3m82 h PRO 279 Cb 1.29 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3m82 h PRO 279 CO 0.58 0.37 -0.17 0.66 -0.21 0.00 0.00 178.00 179.24 3m82 h SER 280 N 0.58 0.21 -0.06 -2.05 4.64 -1.93 0.31 113.55 115.24 3m82 h SER 280 Ca 0.52 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 61.58 3m82 h SER 280 Cb 1.06 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3m82 h SER 280 CO -0.27 0.40 -0.76 0.71 -0.87 0.00 0.00 176.83 176.04 3m82 h THR 281 N 0.21 1.30 -0.16 2.95 1.35 -1.46 -1.21 112.91 115.89 3m82 h THR 281 Ca 0.04 -2.00 -0.05 0.00 -0.55 0.00 0.00 66.41 63.85 3m82 h THR 281 Cb 0.42 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3m82 h THR 281 CO 0.03 0.63 -0.10 0.58 -0.25 0.00 0.00 175.52 176.40 3m82 h VAL 282 N 0.49 1.32 -0.45 6.82 2.07 -1.40 -2.93 116.25 122.18 3m82 h VAL 282 Ca -0.05 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.20 3m82 h VAL 282 Cb 1.38 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 3m82 h VAL 282 CO 0.15 0.35 -0.07 -0.26 0.02 0.00 0.00 177.57 177.77 3m82 h PHE 283 N 0.01 0.85 -0.43 1.57 0.04 -0.98 0.39 116.94 118.39 3m82 h PHE 283 Ca 0.03 -0.14 0.07 0.00 2.80 0.00 0.00 57.97 60.73 3m82 h PHE 283 Cb 0.60 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.46 3m82 h PHE 283 CO 0.07 0.82 0.07 0.00 -0.60 0.00 0.00 178.31 178.67 3m82 h ALA 284 N 1.21 0.45 -0.08 2.45 0.00 -1.24 0.13 119.26 122.18 3m82 h ALA 284 Ca 0.13 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3m82 h ALA 284 Cb 0.53 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3m82 h ALA 284 CO 0.03 -0.34 0.03 0.00 0.00 0.00 0.00 179.25 178.98 3m82 h ALA 285 N 1.34 0.10 -0.31 0.00 0.00 -1.30 -2.72 119.26 116.37 3m82 h ALA 285 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3m82 h ALA 285 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3m82 h ALA 285 CO -0.29 -0.31 0.18 -0.92 0.00 0.00 0.00 179.25 177.91 3m82 h TYR 286 N -0.03 0.35 -0.18 0.00 3.20 -0.66 -1.83 116.97 117.82 3m82 h TYR 286 Ca 0.03 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3m82 h TYR 286 Cb 0.16 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3m82 h TYR 286 CO -0.02 0.21 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.54 3m82 h ASN 287 N 0.38 0.33 1.71 -2.11 2.35 -0.76 -2.16 115.58 115.32 3m82 h ASN 287 Ca 0.12 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3m82 h ASN 287 Cb -0.01 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3m82 h ASN 287 CO -0.05 0.59 0.00 1.88 -1.65 0.00 0.00 177.43 178.20 3m82 h TYR 288 N 0.30 0.00 -2.02 1.19 0.05 -1.38 -3.46 116.97 111.65 3m82 h TYR 288 Ca 0.05 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.20 3m82 h TYR 288 Cb 0.62 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.38 3m82 h TYR 288 CO 0.01 0.00 0.98 0.98 -1.05 0.00 0.00 178.16 179.09 3m82 n TYR 289 N -2.70 2.25 1.13 4.88 9.36 -0.70 -3.51 117.16 127.87 3m82 n TYR 289 Ca 0.05 0.14 0.12 0.00 3.32 0.00 0.00 57.90 61.53 3m82 n TYR 289 Cb 0.47 -2.60 0.20 0.00 -0.63 0.00 0.00 39.34 36.78 3m82 n TYR 289 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3m82 n ALA 290 N 5.61 3.40 -1.99 2.98 0.00 -0.84 -4.91 120.51 124.75 3m82 n ALA 290 Ca 0.22 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 3m82 n ALA 290 Cb 0.27 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.78 3m82 n ALA 290 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m82 s GLY 291 N -2.57 1.82 0.26 0.00 0.00 -0.56 -4.73 107.32 101.54 3m82 s GLY 291 Ca 0.20 -1.62 -0.31 0.00 0.00 0.00 0.00 44.72 42.99 3m82 s GLY 291 CO 0.58 -1.26 1.43 -1.05 0.00 0.00 0.00 173.10 172.79 3m82 n PRO 292 N -2.34 2.19 -3.73 2.90 -0.02 -1.26 -4.87 135.00 127.87 3m82 n PRO 292 Ca 0.11 0.78 -0.14 0.00 -2.02 0.00 0.00 63.50 62.23 3m82 n PRO 292 Cb 0.60 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 3m82 n PRO 292 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3m82 s LYS 293 N -0.62 0.70 0.07 -0.52 -2.85 -1.26 -1.06 119.74 114.19 3m82 s LYS 293 Ca 0.66 -0.07 0.02 0.00 -1.00 0.00 0.00 55.97 55.57 3m82 s LYS 293 Cb -0.61 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.45 3m82 s LYS 293 CO 0.51 -0.19 -0.07 -1.21 0.10 0.00 0.00 175.35 174.49 3m82 s GLU 294 N -1.18 0.66 -0.04 1.78 2.02 -0.65 -4.98 118.70 116.31 3m82 s GLU 294 Ca -0.12 -1.02 0.02 0.00 0.02 0.00 0.00 54.97 53.87 3m82 s GLU 294 Cb -0.04 -0.22 0.01 0.00 0.10 0.00 0.00 34.13 33.97 3m82 s GLU 294 CO 0.05 0.01 -0.10 -1.50 0.02 0.00 0.00 175.26 173.74 3m82 s ILE 295 N -2.44 0.91 -0.21 -1.63 2.07 -1.26 -0.31 121.20 118.32 3m82 s ILE 295 Ca -0.00 -0.39 -0.12 0.00 -1.41 0.00 0.00 60.65 58.73 3m82 s ILE 295 Cb -0.03 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 3m82 s ILE 295 CO -0.02 0.29 0.23 -0.13 -1.91 0.00 0.00 174.94 173.40 3m82 s ARG 296 N 0.45 4.16 -0.17 3.50 1.81 -0.38 -4.97 118.95 123.35 3m82 s ARG 296 Ca -0.08 -0.08 -0.02 0.00 -1.72 0.00 0.00 55.73 53.83 3m82 s ARG 296 Cb -0.12 -3.49 -0.01 0.00 -0.45 0.00 0.00 34.95 30.87 3m82 s ARG 296 CO 0.02 0.13 -0.08 0.42 -0.68 0.00 0.00 175.30 175.10 3m82 s ILE 297 N 0.85 3.29 -0.46 1.52 1.01 -1.26 -1.82 121.20 124.32 3m82 s ILE 297 Ca 0.12 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.24 3m82 s ILE 297 Cb -0.13 -2.43 0.12 0.00 0.01 0.00 0.00 42.46 40.03 3m82 s ILE 297 CO 0.04 0.48 0.20 -0.31 0.00 0.00 0.00 174.94 175.36 3m82 s TYR 298 N 0.78 3.43 0.46 3.97 2.02 -0.31 -5.00 117.35 122.71 3m82 s TYR 298 Ca -0.03 -3.01 0.13 0.00 -0.37 0.00 0.00 57.07 53.78 3m82 s TYR 298 Cb -0.15 -2.93 1.06 0.00 -0.40 0.00 0.00 41.96 39.54 3m82 s TYR 298 CO 0.01 -0.84 2.06 -1.35 -1.57 0.00 0.00 175.55 173.87 3m82 h PRO 299 N 7.04 0.30 -0.13 -1.71 0.11 -1.96 -2.17 132.00 133.49 3m82 h PRO 299 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3m82 h PRO 299 Cb 0.95 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3m82 h PRO 299 CO 0.64 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 179.29 3m82 n TYR 300 N -4.49 0.15 -3.70 0.65 4.01 -1.26 -4.13 117.16 108.40 3m82 n TYR 300 Ca 0.03 -0.13 -0.33 0.00 -0.16 0.00 0.00 57.90 57.32 3m82 n TYR 300 Cb 0.18 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 3m82 n TYR 300 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3m82 s ASN 301 N -1.16 6.51 0.00 7.72 -0.87 -1.15 -4.84 114.94 121.15 3m82 s ASN 301 Ca 0.20 0.59 0.00 0.00 -1.57 0.00 0.00 52.86 52.09 3m82 s ASN 301 Cb 0.13 -2.10 0.00 0.00 -0.02 0.00 0.00 41.25 39.26 3m82 s ASN 301 CO 0.19 0.13 0.00 0.59 -2.57 0.00 0.00 177.10 175.44 3m82 n ASN 302 N 0.51 0.00 0.20 -1.22 4.13 -1.26 -1.63 115.26 115.99 3m82 n ASN 302 Ca -0.06 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.35 3m82 n ASN 302 Cb 0.52 0.00 0.61 0.00 -1.54 0.00 0.00 39.78 39.37 3m82 n ASN 302 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 3m82 h HIS 303 N 0.00 0.00 0.00 3.10 -0.00 -1.92 -1.98 115.15 114.35 3m82 h HIS 303 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3m82 h HIS 303 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3m82 h HIS 303 CO 0.00 0.00 -0.00 1.05 -0.00 0.00 0.00 177.93 178.98 3m82 h GLU 304 N 0.00 0.00 0.00 5.26 9.09 -1.99 -3.48 114.58 123.46 3m82 h GLU 304 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m82 h GLU 304 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3m82 h GLU 304 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 3m82 n GLY 305 N -1.27 2.60 0.11 1.06 0.00 -0.75 -2.55 105.19 104.41 3m82 n GLY 305 Ca -0.03 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.73 3m82 n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m82 n GLY 306 N 0.00 -0.98 7.00 -0.02 0.00 -1.26 -4.80 105.19 105.13 3m82 n GLY 306 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3m82 n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m82 n GLY 307 N 1.30 2.91 0.22 -0.02 0.00 -1.05 -1.93 105.19 106.62 3m82 n GLY 307 Ca 0.14 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3m82 n GLY 307 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m82 h SER 308 N 1.70 0.00 -0.66 1.61 0.02 -1.95 -2.33 113.55 111.95 3m82 h SER 308 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m82 h SER 308 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3m82 h SER 308 CO 0.00 0.26 0.42 -0.26 -1.14 0.00 0.00 176.83 176.11 3m82 h PHE 309 N 0.00 0.84 -0.26 3.45 -1.00 -1.81 -2.66 116.94 115.50 3m82 h PHE 309 Ca -0.00 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.69 3m82 h PHE 309 Cb 0.65 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 3m82 h PHE 309 CO 0.00 0.55 -0.27 0.37 -1.61 0.00 0.00 178.31 177.35 3m82 h GLN 310 N 0.89 0.52 -0.64 1.51 5.75 -1.02 -2.56 115.11 119.56 3m82 h GLN 310 Ca 0.24 -0.21 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3m82 h GLN 310 Cb -0.07 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 3m82 h GLN 310 CO -0.05 0.74 0.39 0.00 -2.65 0.00 0.00 178.83 177.27 3m82 h ALA 311 N 1.26 0.84 -0.50 3.38 0.00 -1.40 0.25 119.26 123.10 3m82 h ALA 311 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3m82 h ALA 311 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3m82 h ALA 311 CO 0.05 0.13 0.28 0.28 0.00 0.00 0.00 179.25 179.99 3m82 h VAL 312 N 0.76 1.17 -0.95 0.00 2.07 -1.34 -2.13 116.25 115.83 3m82 h VAL 312 Ca 0.26 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.42 3m82 h VAL 312 Cb 0.05 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3m82 h VAL 312 CO -0.12 0.18 0.61 -0.33 0.02 0.00 0.00 177.57 177.93 3m82 h GLU 313 N 0.66 1.09 -0.26 1.57 4.39 -0.91 -2.15 114.58 118.97 3m82 h GLU 313 Ca 0.18 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 3m82 h GLU 313 Cb 0.04 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 3m82 h GLU 313 CO -0.03 0.72 -0.04 1.96 -1.16 0.00 0.00 179.01 180.47 3m82 h GLN 314 N 1.12 0.49 -0.34 2.33 4.20 -0.72 -0.55 115.11 121.64 3m82 h GLN 314 Ca 0.41 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.96 3m82 h GLN 314 Cb 0.14 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3m82 h GLN 314 CO -0.16 0.69 0.18 0.28 -0.67 0.00 0.00 178.83 179.15 3m82 h VAL 315 N 0.25 1.01 -0.68 -0.54 2.07 -1.22 -2.08 116.25 115.06 3m82 h VAL 315 Ca 0.07 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3m82 h VAL 315 Cb 0.49 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3m82 h VAL 315 CO 0.02 0.07 0.15 0.11 0.02 0.00 0.00 177.57 177.94 3m82 h LYS 316 N 0.38 1.09 -0.26 1.57 1.57 -1.35 -2.37 116.57 117.20 3m82 h LYS 316 Ca 0.14 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3m82 h LYS 316 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3m82 h LYS 316 CO -0.08 0.97 0.17 0.35 -0.57 0.00 0.00 179.45 180.29 3m82 h PHE 317 N 1.03 0.32 -0.23 -1.35 3.57 -0.91 -2.57 116.94 116.81 3m82 h PHE 317 Ca 0.21 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.53 3m82 h PHE 317 Cb 0.38 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3m82 h PHE 317 CO 0.03 0.21 -0.61 -0.07 -2.23 0.00 0.00 178.31 175.64 3m82 h LEU 318 N 0.34 0.89 -0.23 0.59 3.38 -1.37 -1.09 115.31 117.82 3m82 h LEU 318 Ca 0.09 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.59 3m82 h LEU 318 Cb -0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3m82 h LEU 318 CO -0.02 1.29 0.06 0.50 0.09 0.00 0.00 178.44 180.36 3m82 h LYS 319 N 0.59 0.15 -0.43 1.13 3.64 -1.40 -1.56 116.57 118.69 3m82 h LYS 319 Ca -0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3m82 h LYS 319 Cb 1.21 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3m82 h LYS 319 CO 0.13 0.10 0.07 -0.22 -2.27 0.00 0.00 179.45 177.26 3m82 h LYS 320 N 0.16 0.72 -0.44 1.90 3.64 -1.44 -2.70 116.57 118.41 3m82 h LYS 320 Ca 0.10 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3m82 h LYS 320 Cb 0.08 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3m82 h LYS 320 CO -0.12 0.75 0.24 1.25 -2.27 0.00 0.00 179.45 179.30 3m82 h LEU 321 N 0.58 0.37 -0.86 5.20 5.85 -1.00 -3.07 115.31 122.38 3m82 h LEU 321 Ca 0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3m82 h LEU 321 Cb 0.38 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3m82 h LEU 321 CO 0.01 0.27 0.00 0.49 -0.34 0.00 0.00 178.44 178.87 3m82 n PHE 322 N -4.87 0.01 1.97 1.25 3.72 -0.60 -5.09 117.46 113.85 3m82 n PHE 322 Ca 0.02 -0.01 0.16 0.00 -0.05 0.00 0.00 57.45 57.58 3m82 n PHE 322 Cb 0.08 0.00 0.93 0.00 -0.94 0.00 0.00 39.48 39.55 3m82 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10