#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 0.01 -3.54 1.38 -1.74 -1.26 -4.98 117.46 107.33 3m82 n PHE 4 Ca 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.84 3m82 n PHE 4 Cb 0.00 -0.13 0.00 0.00 1.52 0.00 0.00 39.48 40.87 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 -1.52 1.28 -4.72 5.98 -0.08 -1.26 -5.08 116.55 111.14 3m82 n ASP 5 Ca 0.05 -1.37 -0.41 0.00 -1.51 0.00 0.00 54.79 51.55 3m82 n ASP 5 Cb 0.34 -0.01 0.01 0.00 2.34 0.00 0.00 41.12 43.80 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 4.41 -4.57 -2.67 4.77 -1.26 -4.95 117.00 112.73 3m82 n LEU 6 Ca -0.00 1.12 -0.37 0.00 -0.03 0.00 0.00 56.01 56.73 3m82 n LEU 6 Cb 0.12 -1.54 0.06 0.00 -2.33 0.00 0.00 43.42 39.73 3m82 n LEU 6 CO 0.07 -0.45 0.38 -2.65 -1.33 0.00 0.00 177.39 173.42 3m82 n PRO 7 N -0.01 0.67 -0.36 3.23 -0.02 -1.26 -4.60 135.00 132.66 3m82 n PRO 7 Ca 0.06 0.27 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 3m82 n PRO 7 Cb 0.40 -2.04 0.23 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.20 0.92 -1.18 2.45 5.85 -1.99 -0.18 115.31 121.38 3m82 h LEU 8 Ca -0.47 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3m82 h LEU 8 Cb 1.37 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 3m82 h LEU 8 CO 0.48 0.49 0.56 -0.33 -0.34 0.00 0.00 178.44 179.31 3m82 h GLU 9 N 0.99 1.09 -0.06 1.25 3.07 -2.00 -1.64 114.58 117.29 3m82 h GLU 9 Ca 0.49 -0.07 -0.21 0.00 -0.50 0.00 0.00 59.36 59.08 3m82 h GLU 9 Cb 0.47 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3m82 h GLU 9 CO -0.26 0.72 -0.77 0.93 -1.40 0.00 0.00 179.01 178.23 3m82 h GLU 10 N 1.12 0.63 -0.83 2.33 5.08 -1.53 -3.27 114.58 118.12 3m82 h GLU 10 Ca 0.32 -0.60 0.13 0.00 -1.00 0.00 0.00 59.36 58.21 3m82 h GLU 10 Cb -0.09 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.22 3m82 h GLU 10 CO -0.08 1.21 0.43 -0.07 -1.00 0.00 0.00 179.01 179.50 3m82 h LEU 11 N 0.28 0.54 -0.40 1.33 3.38 -0.83 -0.91 115.31 118.69 3m82 h LEU 11 Ca -0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m82 h LEU 11 Cb 1.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3m82 h LEU 11 CO 0.15 0.25 0.00 0.29 0.09 0.00 0.00 178.44 179.22 3m82 n LYS 12 N -4.85 0.12 -0.01 1.13 5.02 -0.64 -2.14 118.16 116.79 3m82 n LYS 12 Ca 0.16 0.34 0.04 0.00 -2.02 0.00 0.00 58.31 56.83 3m82 n LYS 12 Cb 0.39 -1.72 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 3m82 n LYS 12 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m82 n LYS 13 N -1.95 0.32 -2.25 1.97 5.02 -0.81 -5.02 118.16 115.44 3m82 n LYS 13 Ca 0.03 -1.03 -0.43 0.00 -2.02 0.00 0.00 58.31 54.86 3m82 n LYS 13 Cb 0.22 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.64 2.30 -0.41 2.13 5.04 -0.41 -4.89 117.35 120.45 3m82 s TYR 14 Ca 0.09 0.68 0.08 0.00 -2.44 0.00 0.00 57.07 55.48 3m82 s TYR 14 Cb 0.06 -4.11 0.25 0.00 0.35 0.00 0.00 41.96 38.51 3m82 s TYR 14 CO 0.09 -2.30 0.55 0.54 -1.34 0.00 0.00 175.55 173.09 3m82 n ARG 15 N 7.86 0.89 -1.37 4.97 1.74 -1.26 -4.37 116.66 125.12 3m82 n ARG 15 Ca 0.18 -3.36 -0.34 0.00 -0.77 0.00 0.00 57.85 53.55 3m82 n ARG 15 Cb 0.47 -1.32 0.10 0.00 -1.02 0.00 0.00 32.46 30.69 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 -1.34 2.04 0.12 5.56 0.04 -1.26 -4.89 135.00 135.27 3m82 s PRO 16 Ca 0.36 1.77 -0.32 0.00 0.04 0.00 0.00 61.00 62.85 3m82 s PRO 16 Cb 0.17 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.78 3m82 s PRO 16 CO -0.10 -1.91 1.80 -1.91 0.04 0.00 0.00 177.00 174.92 3m82 n GLU 17 N -2.82 2.68 -2.72 4.56 2.13 -1.26 -4.96 120.64 118.25 3m82 n GLU 17 Ca 0.14 0.97 -0.37 0.00 0.66 0.00 0.00 57.16 58.56 3m82 n GLU 17 Cb 0.50 -2.85 -0.06 0.00 0.27 0.00 0.00 31.44 29.31 3m82 n GLU 17 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3m82 s ARG 18 N 2.46 4.50 -0.15 5.31 0.52 -1.26 -5.06 118.95 125.28 3m82 s ARG 18 Ca 0.82 1.39 0.02 0.00 -0.52 0.00 0.00 55.73 57.43 3m82 s ARG 18 Cb -0.52 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.20 3m82 s ARG 18 CO 0.38 0.19 -0.20 -0.47 0.02 0.00 0.00 175.30 175.23 3m82 s TYR 19 N -1.60 2.54 0.07 -0.53 5.04 -1.26 -5.12 117.35 116.49 3m82 s TYR 19 Ca 0.51 -1.35 -0.17 0.00 -2.44 0.00 0.00 57.07 53.62 3m82 s TYR 19 Cb -0.20 -1.76 0.04 0.00 0.35 0.00 0.00 41.96 40.39 3m82 s TYR 19 CO 0.25 -0.65 0.41 -1.83 -1.34 0.00 0.00 175.55 172.39 3m82 s GLU 20 N 1.04 0.98 0.70 4.97 -1.05 -1.26 -4.84 118.70 119.23 3m82 s GLU 20 Ca -0.02 -0.49 -0.11 0.00 -0.15 0.00 0.00 54.97 54.20 3m82 s GLU 20 Cb -0.14 0.43 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 3m82 s GLU 20 CO -0.06 -0.35 1.06 -1.21 0.95 0.00 0.00 175.26 175.65 3m82 s GLU 21 N -2.97 2.93 0.49 -4.83 0.41 -1.26 -4.97 118.70 108.50 3m82 s GLU 21 Ca -0.02 0.84 0.27 0.00 -0.41 0.00 0.00 54.97 55.65 3m82 s GLU 21 Cb 0.00 -2.00 1.17 0.00 -1.78 0.00 0.00 34.13 31.52 3m82 s GLU 21 CO -0.06 -1.07 1.93 0.87 -0.49 0.00 0.00 175.26 176.44 3m82 h LYS 22 N -0.69 0.00 -0.73 1.61 1.57 -2.04 -2.80 116.57 113.50 3m82 h LYS 22 Ca -0.44 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.21 3m82 h LYS 22 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.45 3m82 h LYS 22 CO 0.58 0.15 0.17 -0.40 -0.57 0.00 0.00 179.45 179.39 3m82 n ASP 23 N -3.38 4.87 -0.07 0.86 5.75 -1.26 -4.66 116.55 118.66 3m82 n ASP 23 Ca -0.00 -3.02 -0.09 0.00 -0.01 0.00 0.00 54.79 51.67 3m82 n ASP 23 Cb 0.35 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 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 2.88 -0.92 -0.41 2.11 3.04 -1.88 1.00 116.94 122.76 3m82 h PHE 24 Ca 0.16 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 62.08 3m82 h PHE 24 Cb 2.09 0.45 -0.01 0.00 2.56 0.00 0.00 35.95 41.03 3m82 h PHE 24 CO 1.13 -0.39 -0.07 -0.44 -2.02 0.00 0.00 178.31 176.51 3m82 h ASP 25 N -0.32 0.77 -0.23 0.41 3.32 -1.87 -2.74 116.42 115.76 3m82 h ASP 25 Ca 0.14 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.87 3m82 h ASP 25 Cb 0.54 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3m82 h ASP 25 CO -0.46 0.94 0.01 -0.08 -1.72 0.00 0.00 179.24 177.93 3m82 h GLU 26 N 0.58 0.09 -0.63 3.56 4.81 -1.85 -0.64 114.58 120.49 3m82 h GLU 26 Ca 0.11 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.46 3m82 h GLU 26 Cb 0.59 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.85 3m82 h GLU 26 CO 0.03 0.06 0.12 0.35 -0.73 0.00 0.00 179.01 178.85 3m82 h PHE 27 N 0.09 0.19 -0.05 0.92 3.57 -0.68 -0.49 116.94 120.49 3m82 h PHE 27 Ca 0.11 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.42 3m82 h PHE 27 Cb 0.13 0.01 0.01 0.00 2.79 0.00 0.00 35.95 38.89 3m82 h PHE 27 CO -0.18 -0.06 -0.89 -1.49 -2.23 0.00 0.00 178.31 173.46 3m82 h TRP 28 N 0.25 0.82 -0.19 0.41 4.06 -1.27 -1.86 115.95 118.18 3m82 h TRP 28 Ca 0.34 -0.41 0.01 0.00 2.06 0.00 0.00 58.89 60.89 3m82 h TRP 28 Cb 0.53 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.57 3m82 h TRP 28 CO -0.27 1.23 0.09 0.93 -3.56 0.00 0.00 178.44 176.86 3m82 h GLU 29 N 0.36 0.18 -0.64 0.49 5.08 -0.75 -0.65 114.58 118.65 3m82 h GLU 29 Ca -0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3m82 h GLU 29 Cb 1.52 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.70 3m82 h GLU 29 CO 0.17 0.12 0.33 0.93 -1.00 0.00 0.00 179.01 179.56 3m82 h GLU 30 N 0.19 0.91 -0.28 2.33 5.08 -1.14 -0.32 114.58 121.34 3m82 h GLU 30 Ca 0.08 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3m82 h GLU 30 Cb 0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3m82 h GLU 30 CO -0.06 0.70 0.17 1.15 -1.00 0.00 0.00 179.01 179.97 3m82 h THR 31 N 0.88 1.11 -0.20 1.13 2.02 -1.09 -0.90 112.91 115.86 3m82 h THR 31 Ca 0.22 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 3m82 h THR 31 Cb 0.08 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3m82 h THR 31 CO -0.03 0.11 -0.07 -0.07 0.37 0.00 0.00 175.52 175.82 3m82 h LEU 32 N 0.35 0.41 -0.30 2.58 3.38 -1.02 -2.67 115.31 118.04 3m82 h LEU 32 Ca 0.10 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.71 3m82 h LEU 32 Cb 0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3m82 h LEU 32 CO -0.02 0.71 0.10 0.00 0.09 0.00 0.00 178.44 179.32 3m82 h ALA 33 N 0.71 0.35 -0.80 1.53 0.00 -0.95 0.03 119.26 120.13 3m82 h ALA 33 Ca 0.05 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3m82 h ALA 33 Cb 0.54 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3m82 h ALA 33 CO 0.02 -0.30 0.49 0.93 0.00 0.00 0.00 179.25 180.40 3m82 h GLU 34 N 0.24 0.88 0.00 0.00 5.08 -1.17 -2.66 114.58 116.96 3m82 h GLU 34 Ca 0.14 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3m82 h GLU 34 Cb 0.11 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3m82 h GLU 34 CO -0.14 0.59 -0.59 0.77 -1.00 0.00 0.00 179.01 178.63 3m82 h SER 35 N 0.91 0.00 0.83 1.42 0.02 -1.04 -3.06 113.55 112.63 3m82 h SER 35 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3m82 h SER 35 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3m82 h SER 35 CO -0.16 0.59 0.00 -0.33 -1.14 0.00 0.00 176.83 175.79 3m82 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 -0.65 -2.89 114.58 119.58 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 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3m82 h GLU 36 CO 0.08 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 3m82 n LYS 37 N -2.36 0.14 -3.89 2.33 5.02 -1.15 -4.62 118.16 113.63 3m82 n LYS 37 Ca 0.02 0.32 -0.36 0.00 -2.02 0.00 0.00 58.31 56.27 3m82 n LYS 37 Cb 0.26 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 3m82 n LYS 37 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3m82 s PHE 38 N -3.18 3.58 0.29 2.13 0.40 -1.09 -5.07 117.98 115.04 3m82 s PHE 38 Ca 0.07 0.48 -0.29 0.00 -0.60 0.00 0.00 56.93 56.58 3m82 s PHE 38 Cb 0.10 -1.91 -0.10 0.00 0.51 0.00 0.00 43.02 41.63 3m82 s PHE 38 CO 0.39 0.71 1.35 -1.25 0.70 0.00 0.00 175.22 177.13 3m82 s PRO 39 N -1.32 4.33 0.25 0.24 0.04 -1.26 -4.91 135.00 132.37 3m82 s PRO 39 Ca 0.19 2.23 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 3m82 s PRO 39 Cb -0.12 -3.10 0.47 0.00 0.04 0.00 0.00 34.50 31.79 3m82 s PRO 39 CO 0.09 -0.28 1.78 1.25 0.04 0.00 0.00 177.00 179.88 3m82 h LEU 40 N 4.16 0.60 -3.74 -3.56 5.85 -1.91 -3.42 115.31 113.29 3m82 h LEU 40 Ca -0.47 0.07 -0.55 0.00 0.84 0.00 0.00 57.88 57.76 3m82 h LEU 40 Cb 1.22 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.23 3m82 h LEU 40 CO 0.71 0.30 -0.99 -0.67 -0.34 0.00 0.00 178.44 177.44 3m82 n ASP 41 N -4.81 -4.51 -4.75 1.25 4.64 -1.26 -1.06 116.55 106.06 3m82 n ASP 41 Ca 0.15 -1.22 -0.41 0.00 -1.38 0.00 0.00 54.79 51.94 3m82 n ASP 41 Cb 0.36 -2.15 -0.04 0.00 -1.04 0.00 0.00 41.12 38.25 3m82 n ASP 41 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3m82 s PRO 42 N -6.99 4.55 -0.10 -0.67 0.04 -1.26 -4.50 135.00 126.07 3m82 s PRO 42 Ca 0.48 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.38 3m82 s PRO 42 Cb -0.24 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.10 3m82 s PRO 42 CO 0.94 0.03 -0.08 0.08 0.04 0.00 0.00 177.00 178.01 3m82 s VAL 43 N -0.52 0.99 -0.23 -0.36 1.01 0.05 -5.01 120.40 116.33 3m82 s VAL 43 Ca 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 3m82 s VAL 43 Cb -0.32 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.09 3m82 s VAL 43 CO 0.39 0.35 -0.10 -0.36 0.00 0.00 0.00 175.10 175.38 3m82 s PHE 44 N 1.42 2.99 -0.22 5.22 0.08 -1.26 -1.84 117.98 124.37 3m82 s PHE 44 Ca -0.01 -1.52 0.01 0.00 0.12 0.00 0.00 56.93 55.53 3m82 s PHE 44 Cb -0.13 -2.02 0.05 0.00 -0.57 0.00 0.00 43.02 40.34 3m82 s PHE 44 CO -0.05 -0.73 -0.10 -2.00 -0.10 0.00 0.00 175.22 172.24 3m82 s GLU 45 N 1.33 2.08 0.27 0.44 2.12 -0.34 -4.94 118.70 119.66 3m82 s GLU 45 Ca 0.02 -0.97 -0.30 0.00 0.36 0.00 0.00 54.97 54.08 3m82 s GLU 45 Cb -0.15 -2.56 -0.11 0.00 0.26 0.00 0.00 34.13 31.57 3m82 s GLU 45 CO -0.07 -0.47 1.50 0.50 -0.54 0.00 0.00 175.26 176.18 3m82 s ARG 46 N 1.32 4.21 0.08 4.30 6.06 -1.26 -0.28 118.95 133.39 3m82 s ARG 46 Ca -0.03 2.41 0.04 0.00 -2.50 0.00 0.00 55.73 55.65 3m82 s ARG 46 Cb -0.17 -3.07 -0.04 0.00 0.06 0.00 0.00 34.95 31.73 3m82 s ARG 46 CO -0.08 -0.50 0.02 -1.64 -2.50 0.00 0.00 175.30 170.61 3m82 s MET 47 N -0.50 2.64 0.09 5.12 -1.94 -0.54 -4.87 119.30 119.29 3m82 s MET 47 Ca 0.60 -0.79 -0.31 0.00 -1.71 0.00 0.00 55.69 53.49 3m82 s MET 47 Cb -0.44 -2.59 -0.06 0.00 2.01 0.00 0.00 34.83 33.74 3m82 s MET 47 CO 0.46 0.55 1.25 -1.21 -0.01 0.00 0.00 175.02 176.06 3m82 s GLU 48 N -2.29 4.41 0.07 2.03 2.02 -1.26 -4.75 118.70 118.93 3m82 s GLU 48 Ca 0.26 1.86 -0.17 0.00 0.02 0.00 0.00 54.97 56.94 3m82 s GLU 48 Cb -0.12 -3.31 0.03 0.00 0.10 0.00 0.00 34.13 30.84 3m82 s GLU 48 CO 0.19 -0.29 0.40 0.45 0.02 0.00 0.00 175.26 176.03 3m82 s SER 49 N 0.98 -0.25 0.00 -0.19 0.15 -1.26 -5.02 113.70 108.11 3m82 s SER 49 Ca 0.60 -0.13 0.27 0.00 0.70 0.00 0.00 55.95 57.39 3m82 s SER 49 Cb -0.32 0.44 0.97 0.00 -1.71 0.00 0.00 66.02 65.40 3m82 s SER 49 CO 0.30 -0.73 1.72 1.41 1.20 0.00 0.00 173.24 177.14 3m82 n HIS 50 N 0.24 0.00 -1.74 3.44 8.25 -1.26 -4.92 115.22 119.23 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 0.61 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 3m82 n HIS 50 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m82 n LEU 51 N -1.24 4.20 -0.02 2.41 4.77 -1.26 -4.94 117.00 120.92 3m82 n LEU 51 Ca 0.10 1.15 -0.01 0.00 -0.03 0.00 0.00 56.01 57.22 3m82 n LEU 51 Cb 0.32 -1.57 -0.06 0.00 -2.33 0.00 0.00 43.42 39.78 3m82 n LEU 51 CO 0.28 0.05 -0.69 0.29 -1.33 0.00 0.00 177.39 176.00 3m82 n LYS 52 N 1.98 1.98 0.00 3.23 4.76 -1.26 -4.65 118.16 124.20 3m82 n LYS 52 Ca 0.08 -0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.61 3m82 n LYS 52 Cb 0.36 -1.18 0.02 0.00 -1.84 0.00 0.00 35.03 32.39 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 -2.10 0.00 -4.16 -0.18 -2.24 -1.26 -4.93 114.28 99.40 3m82 n THR 53 Ca -0.08 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 3m82 n THR 53 Cb 0.56 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.72 0.57 -0.15 2.28 1.01 -1.26 -0.79 120.40 119.33 3m82 s VAL 54 Ca 0.15 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 3m82 s VAL 54 Cb 0.17 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3m82 s VAL 54 CO 0.69 -0.08 0.27 -1.61 0.00 0.00 0.00 175.10 174.37 3m82 s GLU 55 N -0.81 4.16 -0.09 2.72 2.02 0.96 -4.82 118.70 122.85 3m82 s GLU 55 Ca -0.02 0.06 -0.00 0.00 0.02 0.00 0.00 54.97 55.02 3m82 s GLU 55 Cb -0.06 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 3m82 s GLU 55 CO 0.00 0.32 -0.06 0.00 0.02 0.00 0.00 175.26 175.54 3m82 s ALA 56 N 0.23 3.00 -0.01 5.21 0.00 -1.26 -0.86 121.76 128.07 3m82 s ALA 56 Ca 0.16 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.31 3m82 s ALA 56 Cb -0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 3m82 s ALA 56 CO 0.04 0.50 -0.21 0.71 0.00 0.00 0.00 175.76 176.80 3m82 s TYR 57 N -0.58 1.87 -0.11 0.00 1.51 0.10 -1.46 117.35 118.67 3m82 s TYR 57 Ca 0.09 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.50 3m82 s TYR 57 Cb -0.12 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 3m82 s TYR 57 CO 0.02 -0.01 1.12 0.34 -1.11 0.00 0.00 175.55 175.91 3m82 s ASP 58 N -0.61 7.11 -0.02 2.29 -1.08 0.61 -1.51 116.67 123.46 3m82 s ASP 58 Ca 0.08 1.65 0.00 0.00 -0.52 0.00 0.00 52.55 53.76 3m82 s ASP 58 Cb -0.08 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 3m82 s ASP 58 CO -0.00 -0.57 0.03 -0.69 0.52 0.00 0.00 175.17 174.46 3m82 s VAL 59 N 2.42 4.39 -0.01 1.11 1.01 -0.60 -1.20 120.40 127.52 3m82 s VAL 59 Ca 0.52 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.05 3m82 s VAL 59 Cb -0.21 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.23 3m82 s VAL 59 CO 0.18 0.42 -0.02 -0.89 0.00 0.00 0.00 175.10 174.79 3m82 s THR 60 N -1.07 0.17 0.15 3.92 2.01 -0.77 -1.91 115.64 118.14 3m82 s THR 60 Ca 0.19 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.04 3m82 s THR 60 Cb -0.12 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.21 3m82 s THR 60 CO 0.09 0.08 0.31 0.72 -0.69 0.00 0.00 174.62 175.13 3m82 s PHE 61 N 0.24 0.19 -0.23 4.92 -0.71 -0.78 -0.77 117.98 120.84 3m82 s PHE 61 Ca -0.02 -0.56 -0.17 0.00 -1.04 0.00 0.00 56.93 55.13 3m82 s PHE 61 Cb -0.04 0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 3m82 s PHE 61 CO -0.01 -0.70 0.48 -1.12 -1.34 0.00 0.00 175.22 172.53 3m82 s SER 62 N -2.91 6.47 0.00 1.98 0.01 -0.22 -0.63 113.70 118.40 3m82 s SER 62 Ca 0.11 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.93 3m82 s SER 62 Cb 0.03 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.99 3m82 s SER 62 CO -0.05 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.02 3m82 n GLY 63 N 4.13 0.46 3.70 3.44 0.00 0.39 -4.78 105.19 112.53 3m82 n GLY 63 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 2.93 2.62 -1.62 1.61 5.04 -1.26 -3.51 117.35 123.16 3m82 s TYR 64 Ca 0.00 0.45 -0.10 0.00 -2.44 0.00 0.00 57.07 54.98 3m82 s TYR 64 Cb 0.00 -3.92 0.09 0.00 0.35 0.00 0.00 41.96 38.48 3m82 s TYR 64 CO 0.00 -3.60 0.44 0.54 -1.34 0.00 0.00 175.55 171.59 3m82 n ARG 65 N 5.18 -2.15 -0.98 4.97 1.74 -1.26 -1.25 116.66 122.92 3m82 n ARG 65 Ca 0.15 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3m82 n ARG 65 Cb 0.40 -4.46 0.00 0.00 -1.02 0.00 0.00 32.46 27.38 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 -1.82 0.47 3.74 -0.13 0.00 -1.23 -4.99 105.19 101.23 3m82 n GLY 66 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.40 4.68 -0.26 1.61 -0.21 -0.38 -4.70 119.66 119.98 3m82 s GLN 67 Ca 0.00 1.61 -0.22 0.00 0.02 0.00 0.00 55.36 56.78 3m82 s GLN 67 Cb 0.00 -3.30 -0.01 0.00 1.00 0.00 0.00 33.01 30.70 3m82 s GLN 67 CO 0.00 0.21 0.70 1.03 -2.12 0.00 0.00 175.29 175.11 3m82 s ARG 68 N -0.53 4.08 -0.11 2.91 1.81 -1.26 -0.46 118.95 125.40 3m82 s ARG 68 Ca 0.47 0.62 -0.01 0.00 -1.72 0.00 0.00 55.73 55.08 3m82 s ARG 68 Cb -0.27 -3.67 -0.03 0.00 -0.45 0.00 0.00 34.95 30.53 3m82 s ARG 68 CO 0.34 -0.49 -0.06 0.42 -0.68 0.00 0.00 175.30 174.82 3m82 s ILE 69 N 2.65 3.71 0.57 1.52 -1.09 0.20 -4.85 121.20 123.91 3m82 s ILE 69 Ca 0.29 -0.45 -0.06 0.00 -2.23 0.00 0.00 60.65 58.20 3m82 s ILE 69 Cb -0.15 -2.56 -0.00 0.00 -1.58 0.00 0.00 42.46 38.16 3m82 s ILE 69 CO 0.09 0.55 0.88 -0.54 -1.23 0.00 0.00 174.94 174.70 3m82 s LYS 70 N -0.25 3.08 0.23 2.79 -0.14 -1.26 -1.86 119.74 122.33 3m82 s LYS 70 Ca 0.03 0.07 -0.18 0.00 -1.36 0.00 0.00 55.97 54.54 3m82 s LYS 70 Cb -0.13 -2.28 0.06 0.00 -1.68 0.00 0.00 37.83 33.80 3m82 s LYS 70 CO 0.03 -0.59 0.88 0.41 -0.76 0.00 0.00 175.35 175.31 3m82 n GLY 71 N -2.53 0.79 3.31 -3.33 0.00 -0.80 -1.80 105.19 100.83 3m82 n GLY 71 Ca 0.04 -1.17 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.52 1.98 -0.13 1.61 0.23 -0.64 -1.55 118.94 117.91 3m82 s TRP 72 Ca 0.19 -0.40 0.00 0.00 -2.03 0.00 0.00 56.10 53.86 3m82 s TRP 72 Cb -0.03 -1.10 0.02 0.00 0.03 0.00 0.00 33.47 32.39 3m82 s TRP 72 CO 0.07 0.22 -0.12 -1.17 0.96 0.00 0.00 176.95 176.91 3m82 s LEU 73 N -1.80 1.54 -0.25 2.99 2.96 -0.57 -0.79 118.68 122.76 3m82 s LEU 73 Ca 0.09 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3m82 s LEU 73 Cb -0.10 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.55 3m82 s LEU 73 CO 0.04 -0.06 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.24 3m82 s LEU 74 N 1.43 3.23 -0.27 -0.68 1.43 -0.00 -0.73 118.68 123.10 3m82 s LEU 74 Ca 0.02 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 3m82 s LEU 74 Cb -0.13 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3m82 s LEU 74 CO -0.08 -0.10 0.03 -0.69 0.23 0.00 0.00 176.35 175.75 3m82 s VAL 75 N 1.43 3.72 0.35 -1.59 1.01 -0.04 -1.08 120.40 124.20 3m82 s VAL 75 Ca 0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 3m82 s VAL 75 Cb -0.16 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 3m82 s VAL 75 CO -0.02 0.18 1.18 -2.16 0.00 0.00 0.00 175.10 174.29 3m82 s PRO 76 N 1.48 4.27 -0.95 2.72 0.04 -1.26 -0.03 135.00 141.28 3m82 s PRO 76 Ca 0.03 1.92 -0.24 0.00 0.04 0.00 0.00 61.00 62.75 3m82 s PRO 76 Cb -0.16 -2.90 0.03 0.00 0.04 0.00 0.00 34.50 31.51 3m82 s PRO 76 CO 0.00 -0.15 1.53 0.15 0.04 0.00 0.00 177.00 178.57 3m82 s LYS 77 N -1.97 3.31 0.05 4.56 1.02 0.03 -4.86 119.74 121.89 3m82 s LYS 77 Ca 0.52 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.76 3m82 s LYS 77 Cb -0.33 -5.12 -0.02 0.00 -0.52 0.00 0.00 37.83 31.84 3m82 s LYS 77 CO 0.43 -2.43 -0.12 -0.51 -0.92 0.00 0.00 175.35 171.80 3m82 s LEU 78 N 6.16 2.23 0.20 3.17 1.43 -1.26 -5.01 118.68 125.60 3m82 s LEU 78 Ca 0.50 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 3m82 s LEU 78 Cb -0.03 -0.41 0.25 0.00 0.03 0.00 0.00 46.19 46.03 3m82 s LEU 78 CO -0.04 -0.09 1.66 -0.33 0.23 0.00 0.00 176.35 177.78 3m82 h GLU 79 N 4.58 0.08 -6.30 1.70 5.08 -2.04 -3.44 114.58 114.24 3m82 h GLU 79 Ca -0.38 -0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.31 3m82 h GLU 79 Cb 1.19 -0.02 0.06 0.00 0.50 0.00 0.00 28.75 30.48 3m82 h GLU 79 CO 0.42 0.05 0.47 -1.91 -1.00 0.00 0.00 179.01 177.04 3m82 n GLU 80 N -5.31 1.25 0.12 2.33 2.13 -1.26 -4.88 120.64 115.02 3m82 n GLU 80 Ca 0.07 0.45 0.01 0.00 0.66 0.00 0.00 57.16 58.35 3m82 n GLU 80 Cb 0.32 -2.09 -0.00 0.00 0.27 0.00 0.00 31.44 29.94 3m82 n GLU 80 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3m82 h GLU 81 N 4.58 0.00 -4.54 5.31 3.07 -1.93 -3.42 114.58 117.64 3m82 h GLU 81 Ca -0.47 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 57.85 3m82 h GLU 81 Cb 1.33 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 28.89 3m82 h GLU 81 CO 0.78 0.56 -0.82 0.15 -1.40 0.00 0.00 179.01 178.29 3m82 s LYS 82 N -2.92 1.82 0.19 2.33 -0.14 -1.26 -4.55 119.74 115.21 3m82 s LYS 82 Ca 0.03 -0.42 0.11 0.00 -1.36 0.00 0.00 55.97 54.33 3m82 s LYS 82 Cb 0.08 -1.60 -0.04 0.00 -1.68 0.00 0.00 37.83 34.59 3m82 s LYS 82 CO 0.76 -0.07 -0.20 -0.51 -0.76 0.00 0.00 175.35 174.57 3m82 s LEU 83 N 1.00 2.59 0.71 3.17 1.43 1.00 -4.74 118.68 123.84 3m82 s LEU 83 Ca -0.08 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 3m82 s LEU 83 Cb -0.15 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.78 3m82 s LEU 83 CO -0.01 0.12 1.07 -2.16 0.23 0.00 0.00 176.35 175.60 3m82 s PRO 84 N -2.70 2.70 -0.02 1.29 0.04 -1.26 -0.15 135.00 134.90 3m82 s PRO 84 Ca 0.22 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.35 3m82 s PRO 84 Cb -0.08 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3m82 s PRO 84 CO 0.11 -1.29 -0.06 0.00 0.04 0.00 0.00 177.00 175.81 3m82 s VAL 86 N 0.27 3.88 -0.38 0.00 1.01 0.48 -0.20 120.40 125.46 3m82 s VAL 86 Ca -0.03 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 3m82 s VAL 86 Cb -0.07 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.55 3m82 s VAL 86 CO -0.00 0.41 0.55 -0.69 0.00 0.00 0.00 175.10 175.38 3m82 s VAL 87 N 1.17 4.96 -0.24 2.92 1.01 0.10 -1.02 120.40 129.31 3m82 s VAL 87 Ca 0.03 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 3m82 s VAL 87 Cb -0.14 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3m82 s VAL 87 CO 0.01 -0.36 0.09 -1.58 0.00 0.00 0.00 175.10 173.26 3m82 s GLN 88 N 2.51 3.79 0.16 2.72 2.00 0.11 -0.81 119.66 130.14 3m82 s GLN 88 Ca 0.20 -0.42 0.04 0.00 -2.00 0.00 0.00 55.36 53.17 3m82 s GLN 88 Cb -0.15 -3.35 -0.04 0.00 0.80 0.00 0.00 33.01 30.27 3m82 s GLN 88 CO 0.15 -0.07 0.25 0.71 -0.50 0.00 0.00 175.29 175.83 3m82 s TYR 89 N 1.32 3.38 0.07 1.67 2.02 -0.33 -1.79 117.35 123.71 3m82 s TYR 89 Ca 0.05 0.06 0.06 0.00 -0.37 0.00 0.00 57.07 56.88 3m82 s TYR 89 Cb -0.15 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.77 3m82 s TYR 89 CO 0.04 0.51 -0.12 0.42 -1.57 0.00 0.00 175.55 174.84 3m82 s ILE 90 N -1.78 3.25 0.87 2.71 1.01 -1.26 -4.51 121.20 121.49 3m82 s ILE 90 Ca 0.33 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 3m82 s ILE 90 Cb -0.10 -2.47 0.12 0.00 0.01 0.00 0.00 42.46 40.01 3m82 s ILE 90 CO 0.27 0.21 1.13 -0.83 0.00 0.00 0.00 174.94 175.73 3m82 s GLY 91 N -1.88 1.59 0.27 6.18 0.00 -1.26 -3.14 107.32 109.07 3m82 s GLY 91 Ca 0.19 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.13 3m82 s GLY 91 CO 0.10 0.04 1.34 2.98 0.00 0.00 0.00 173.10 177.57 3m82 n TYR 92 N -3.63 2.12 -1.05 1.90 9.36 -1.26 -1.58 117.16 123.01 3m82 n TYR 92 Ca 0.07 0.49 -0.02 0.00 3.32 0.00 0.00 57.90 61.76 3m82 n TYR 92 Cb 0.59 -2.43 -0.01 0.00 -0.63 0.00 0.00 39.34 36.86 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 1.71 -4.88 -4.97 2.98 3.02 -1.26 -4.82 115.26 107.04 3m82 n ASN 93 Ca 0.10 0.04 -0.19 0.00 -0.03 0.00 0.00 54.58 54.50 3m82 n ASN 93 Cb 0.33 -2.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 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 -2.11 2.00 0.05 7.41 0.00 -0.62 -0.75 107.32 113.30 3m82 s GLY 94 Ca 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 44.72 42.93 3m82 s GLY 94 CO 0.00 -1.61 0.07 0.61 0.00 0.00 0.00 173.10 172.18 3m82 n GLY 95 N -1.81 2.82 0.14 0.20 0.00 -0.64 -1.61 105.19 104.29 3m82 n GLY 95 Ca 0.07 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.86 3m82 n GLY 95 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3m82 n ARG 96 N -0.08 0.20 0.00 1.61 1.85 -1.14 -4.68 116.66 114.42 3m82 n ARG 96 Ca -0.00 0.46 0.00 0.00 -1.00 0.00 0.00 57.85 57.31 3m82 n ARG 96 Cb 0.08 -1.90 0.00 0.00 -1.05 0.00 0.00 32.46 29.59 3m82 n ARG 96 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m82 n GLY 97 N -0.16 2.72 3.81 2.89 0.00 0.23 -4.64 105.19 110.03 3m82 n GLY 97 Ca 0.02 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 3.14 0.39 1.61 0.08 -1.26 -4.97 117.98 116.98 3m82 s PHE 98 Ca 0.00 -0.04 0.14 0.00 0.12 0.00 0.00 56.93 57.15 3m82 s PHE 98 Cb 0.00 -1.49 0.97 0.00 -0.57 0.00 0.00 43.02 41.93 3m82 s PHE 98 CO 0.00 0.52 1.86 -1.35 -0.10 0.00 0.00 175.22 176.15 3m82 h PRO 99 N 2.21 0.51 0.00 0.24 0.11 -1.99 -1.18 132.00 131.90 3m82 h PRO 99 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m82 h PRO 99 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3m82 h PRO 99 CO 0.63 0.34 0.00 -2.39 -0.21 0.00 0.00 178.00 176.37 3m82 n HIS 100 N -4.54 0.00 1.76 0.65 1.44 -1.26 -2.69 115.22 110.58 3m82 n HIS 100 Ca 0.18 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 56.05 3m82 n HIS 100 Cb 0.59 -0.19 0.87 0.00 0.12 0.00 0.00 29.99 31.38 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 -1.19 0.00 -2.64 4.39 8.00 -0.44 -4.24 116.55 120.43 3m82 n ASP 101 Ca 0.11 -0.65 -0.09 0.00 0.71 0.00 0.00 54.79 54.87 3m82 n ASP 101 Cb 0.12 -0.12 0.03 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.12 1.64 1.22 1.24 7.02 -1.10 -4.91 117.44 121.44 3m82 n TRP 102 Ca 0.20 -2.47 0.13 0.00 -1.02 0.00 0.00 57.50 54.34 3m82 n TRP 102 Cb 0.16 -0.28 0.46 0.00 -2.42 0.00 0.00 31.31 29.24 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 -0.42 0.58 0.45 -0.99 4.77 -1.26 -4.38 117.00 115.76 3m82 n LEU 103 Ca 0.16 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.92 3m82 n LEU 103 Cb 0.81 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 3m82 n LEU 103 CO 0.21 0.12 0.53 0.15 -1.33 0.00 0.00 177.39 177.07 3m82 h PHE 104 N 0.56 -1.28 -0.34 -1.77 3.57 -1.95 -2.22 116.94 113.51 3m82 h PHE 104 Ca 0.00 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3m82 h PHE 104 Cb 0.45 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3m82 h PHE 104 CO 0.00 -0.73 -0.08 -1.49 -2.23 0.00 0.00 178.31 173.78 3m82 h TRP 105 N -1.22 0.74 -0.71 0.41 4.06 -1.88 -2.51 115.95 114.84 3m82 h TRP 105 Ca -0.11 -0.16 0.15 0.00 2.06 0.00 0.00 58.89 60.83 3m82 h TRP 105 Cb 0.96 -0.18 -0.10 0.00 -1.00 0.00 0.00 29.16 28.84 3m82 h TRP 105 CO -0.08 0.82 0.21 -1.35 -3.56 0.00 0.00 178.44 174.48 3m82 h PRO 106 N 0.45 0.31 0.00 0.49 0.11 -1.52 0.30 132.00 132.14 3m82 h PRO 106 Ca 0.09 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3m82 h PRO 106 Cb 0.58 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 3m82 h PRO 106 CO 0.03 0.21 -0.06 0.77 -0.21 0.00 0.00 178.00 178.73 3m82 h SER 107 N 0.32 0.00 -0.29 -2.05 0.02 -1.06 -0.62 113.55 109.87 3m82 h SER 107 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3m82 h SER 107 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3m82 h SER 107 CO -0.46 0.06 0.00 0.23 -1.14 0.00 0.00 176.83 175.53 3m82 n MET 108 N -4.00 1.77 -0.69 3.45 2.81 -0.78 -4.92 117.12 114.76 3m82 n MET 108 Ca -0.03 -1.18 0.00 0.00 -1.81 0.00 0.00 57.70 54.68 3m82 n MET 108 Cb 0.15 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.07 0.58 3.52 3.03 0.00 -0.24 -5.07 105.19 108.09 3m82 n GLY 109 Ca 0.13 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 2.91 0.43 1.61 1.51 0.03 -4.43 117.35 117.40 3m82 s TYR 110 Ca 0.00 -0.16 -0.26 0.00 -1.01 0.00 0.00 57.07 55.65 3m82 s TYR 110 Cb 0.00 -1.77 -0.08 0.00 -0.11 0.00 0.00 41.96 40.00 3m82 s TYR 110 CO 0.00 0.17 1.35 0.42 -1.11 0.00 0.00 175.55 176.38 3m82 s ILE 111 N -0.41 2.40 -0.12 2.71 1.01 0.39 -2.09 121.20 125.08 3m82 s ILE 111 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.06 3m82 s ILE 111 Cb -0.12 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.16 3m82 s ILE 111 CO 0.02 0.05 -0.12 0.00 0.00 0.00 0.00 174.94 174.90 3m82 s PHE 113 N 1.46 3.25 -0.34 0.00 2.19 -0.18 -0.82 117.98 123.54 3m82 s PHE 113 Ca 0.02 -0.83 -0.17 0.00 0.33 0.00 0.00 56.93 56.29 3m82 s PHE 113 Cb -0.13 -2.65 -0.01 0.00 -1.31 0.00 0.00 43.02 38.92 3m82 s PHE 113 CO -0.08 -0.66 0.47 0.08 1.83 0.00 0.00 175.22 176.86 3m82 s VAL 114 N 1.62 5.06 -0.26 3.12 1.01 0.03 0.06 120.40 131.03 3m82 s VAL 114 Ca 0.04 0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.12 3m82 s VAL 114 Cb -0.20 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3m82 s VAL 114 CO 0.08 -0.15 0.60 -0.32 0.00 0.00 0.00 175.10 175.31 3m82 s MET 115 N 2.28 4.09 0.47 2.72 1.75 -0.74 -1.62 119.30 128.24 3m82 s MET 115 Ca 0.17 0.48 -0.24 0.00 -1.25 0.00 0.00 55.69 54.85 3m82 s MET 115 Cb -0.16 -3.65 -0.07 0.00 2.84 0.00 0.00 34.83 33.79 3m82 s MET 115 CO 0.12 -0.41 1.29 0.34 -0.65 0.00 0.00 175.02 175.71 3m82 s ASP 116 N 1.50 5.93 -0.41 1.11 2.15 -0.75 -4.42 116.67 121.78 3m82 s ASP 116 Ca 0.25 2.60 -0.15 0.00 0.43 0.00 0.00 52.55 55.68 3m82 s ASP 116 Cb -0.15 -2.63 0.02 0.00 -0.30 0.00 0.00 42.92 39.86 3m82 s ASP 116 CO 0.09 -1.11 0.30 -0.89 -0.17 0.00 0.00 175.17 173.39 3m82 s THR 117 N -1.35 5.26 -0.35 1.71 2.01 -1.26 -4.79 115.64 116.86 3m82 s THR 117 Ca 0.63 -0.63 -0.43 0.00 0.31 0.00 0.00 61.69 61.57 3m82 s THR 117 Cb -0.36 -3.92 -0.18 0.00 0.01 0.00 0.00 72.50 68.05 3m82 s THR 117 CO 0.45 -0.29 1.66 -2.11 -0.69 0.00 0.00 174.62 173.63 3m82 n ARG 118 N 5.16 0.65 -0.06 4.92 1.85 -1.26 -2.53 116.66 125.39 3m82 n ARG 118 Ca -0.11 0.24 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 3m82 n ARG 118 Cb 0.47 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 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 3.99 1.93 0.00 2.89 0.00 0.94 -4.54 105.19 110.40 3m82 n GLY 119 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.58 1.61 6.02 -1.05 -4.88 117.38 114.49 3m82 n GLN 120 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.81 3m82 n GLN 120 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 -0.50 0.00 1.08 0.00 -0.64 -4.72 105.19 105.41 3m82 n GLY 121 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.01 0.00 -0.09 1.61 7.64 -1.16 -0.99 113.62 118.62 3m82 n SER 122 Ca -0.17 -1.00 -0.17 0.00 1.01 0.00 0.00 58.87 58.54 3m82 n SER 122 Cb 0.63 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.36 0.00 0.23 0.00 0.07 -4.93 105.19 100.20 3m82 n GLY 123 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.03 0.00 -3.70 1.61 4.27 -1.09 -5.04 117.44 109.47 3m82 n TRP 124 Ca -0.31 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.19 3m82 n TRP 124 Cb 0.66 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.50 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 -0.75 -0.06 0.45 5.67 2.96 -1.26 -5.03 118.68 120.66 3m82 s LEU 125 Ca 0.00 0.94 -0.24 0.00 -0.22 0.00 0.00 54.13 54.60 3m82 s LEU 125 Cb 0.00 1.46 -0.09 0.00 0.50 0.00 0.00 46.19 48.06 3m82 s LEU 125 CO 0.00 -0.19 1.21 1.17 -1.32 0.00 0.00 176.35 177.23 3m82 n LYS 126 N 3.93 1.72 -4.27 1.98 4.81 -1.25 -1.62 118.16 123.47 3m82 n LYS 126 Ca -0.21 0.62 -0.15 0.00 -0.87 0.00 0.00 58.31 57.70 3m82 n LYS 126 Cb 0.56 -2.33 -0.10 0.00 0.02 0.00 0.00 35.03 33.18 3m82 n LYS 126 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3m82 s GLY 127 N -0.67 1.32 0.00 3.14 0.00 -0.16 -0.60 107.32 110.35 3m82 s GLY 127 Ca 0.64 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3m82 s GLY 127 CO 0.56 -1.57 0.46 1.22 0.00 0.00 0.00 173.10 173.77 3m82 n ASP 128 N -0.29 0.79 -4.43 1.64 8.00 -1.26 -4.87 116.55 116.12 3m82 n ASP 128 Ca -0.06 -1.20 -0.35 0.00 0.71 0.00 0.00 54.79 53.89 3m82 n ASP 128 Cb 0.63 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.20 3.85 0.71 -3.53 2.01 -1.26 -4.91 115.64 112.31 3m82 s THR 129 Ca 0.00 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 3m82 s THR 129 Cb 0.00 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.80 3m82 s THR 129 CO 0.00 0.43 1.07 -2.16 -0.69 0.00 0.00 174.62 173.28 3m82 s PRO 130 N 0.99 2.79 0.40 4.92 0.04 -1.26 -0.04 135.00 142.84 3m82 s PRO 130 Ca 0.01 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 3m82 s PRO 130 Cb -0.14 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3m82 s PRO 130 CO 0.01 -1.15 0.66 0.34 0.04 0.00 0.00 177.00 176.90 3m82 s ASP 131 N -3.97 6.30 -0.29 6.66 2.15 -1.26 -4.04 116.67 122.23 3m82 s ASP 131 Ca 0.58 0.71 -0.04 0.00 0.43 0.00 0.00 52.55 54.24 3m82 s ASP 131 Cb -0.13 -2.15 0.10 0.00 -0.30 0.00 0.00 42.92 40.44 3m82 s ASP 131 CO 0.54 -0.41 0.13 -0.31 -0.17 0.00 0.00 175.17 174.95 3m82 s TYR 132 N -2.48 0.38 0.71 -5.34 1.51 -1.26 -4.94 117.35 105.93 3m82 s TYR 132 Ca 0.44 -0.94 -0.12 0.00 -1.01 0.00 0.00 57.07 55.43 3m82 s TYR 132 Cb -0.10 -0.92 0.02 0.00 -0.11 0.00 0.00 41.96 40.86 3m82 s TYR 132 CO 0.39 -0.83 1.09 -1.25 -1.11 0.00 0.00 175.55 173.84 3m82 s PRO 133 N 2.03 2.62 -1.14 -1.71 0.04 -1.26 -4.94 135.00 130.65 3m82 s PRO 133 Ca 0.10 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 3m82 s PRO 133 Cb -0.16 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 3m82 s PRO 133 CO -0.34 -1.36 1.91 0.39 0.04 0.00 0.00 177.00 177.64 3m82 n GLU 134 N -3.05 1.97 0.00 4.56 -0.58 -1.26 -4.89 120.64 117.39 3m82 n GLU 134 Ca 0.09 -2.50 0.00 0.00 -0.42 0.00 0.00 57.16 54.33 3m82 n GLU 134 Cb 0.53 -3.48 0.00 0.00 -0.57 0.00 0.00 31.44 27.91 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 5.33 1.31 3.73 0.62 0.00 -1.26 -4.80 105.19 110.12 3m82 n GLY 135 Ca 0.47 0.25 -0.41 0.00 0.00 0.00 0.00 46.02 46.33 3m82 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m82 s PRO 136 N 0.00 4.56 -0.79 1.61 0.04 -1.26 -5.00 135.00 134.17 3m82 s PRO 136 Ca 0.00 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 3m82 s PRO 136 Cb 0.00 -3.30 0.15 0.00 0.04 0.00 0.00 34.50 31.39 3m82 s PRO 136 CO 0.00 0.01 0.87 0.08 0.04 0.00 0.00 177.00 178.01 3m82 s VAL 137 N 0.05 5.05 0.90 -0.36 1.01 -1.26 -5.02 120.40 120.76 3m82 s VAL 137 Ca 0.51 -1.68 -0.13 0.00 0.00 0.00 0.00 61.98 60.68 3m82 s VAL 137 Cb -0.29 -4.59 0.03 0.00 0.00 0.00 0.00 36.38 31.53 3m82 s VAL 137 CO 0.34 -1.23 0.49 0.47 0.00 0.00 0.00 175.10 175.16 3m82 n ASP 138 N 5.64 -1.70 -4.54 3.32 8.00 -1.26 -4.88 116.55 121.13 3m82 n ASP 138 Ca 0.10 0.39 -0.50 0.00 0.71 0.00 0.00 54.79 55.50 3m82 n ASP 138 Cb 0.46 -1.23 -0.04 0.00 -0.02 0.00 0.00 41.12 40.29 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 -1.65 0.82 -3.63 -0.24 -0.02 -1.26 -4.82 135.00 124.19 3m82 n PRO 139 Ca 0.08 0.29 -0.11 0.00 -2.02 0.00 0.00 63.50 61.74 3m82 n PRO 139 Cb 0.53 -1.68 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 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 -0.57 1.04 0.26 -0.52 -2.07 -1.26 -4.87 119.66 111.66 3m82 s GLN 140 Ca 0.72 -0.60 -0.29 0.00 -1.82 0.00 0.00 55.36 53.37 3m82 s GLN 140 Cb -0.91 0.46 -0.09 0.00 -1.09 0.00 0.00 33.01 31.38 3m82 s GLN 140 CO 0.54 -0.40 0.97 -0.47 -1.32 0.00 0.00 175.29 174.62 3m82 s TYR 141 N -3.43 3.86 -0.24 9.60 5.04 -1.26 -4.98 117.35 125.93 3m82 s TYR 141 Ca 0.01 1.85 -0.42 0.00 -2.44 0.00 0.00 57.07 56.07 3m82 s TYR 141 Cb 0.01 -3.04 -0.19 0.00 0.35 0.00 0.00 41.96 39.09 3m82 s TYR 141 CO -0.09 0.21 1.28 -2.30 -1.34 0.00 0.00 175.55 173.31 3m82 n PRO 142 N 1.29 0.00 0.00 4.97 -0.02 -1.26 -4.69 135.00 135.29 3m82 n PRO 142 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3m82 n PRO 142 Cb 0.47 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 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 2.65 0.40 0.01 -1.23 0.00 -1.26 -4.89 105.19 100.87 3m82 n GLY 143 Ca 0.25 -2.30 0.07 0.00 0.00 0.00 0.00 46.02 44.04 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 0.04 0.00 0.12 1.61 3.72 -1.26 -4.48 117.46 117.21 3m82 n PHE 144 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3m82 n PHE 144 Cb 0.00 -0.30 0.36 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.22 -0.31 -1.08 2.86 -1.90 -2.91 114.93 111.81 3m82 h MET 145 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3m82 h MET 145 Cb 0.63 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3m82 h MET 145 CO 0.00 0.42 0.00 0.25 1.06 0.00 0.00 176.91 178.64 3m82 n THR 146 N -4.22 1.08 -2.14 2.22 -2.24 -1.26 -4.85 114.28 102.87 3m82 n THR 146 Ca -0.01 -1.06 -0.41 0.00 -2.27 0.00 0.00 64.05 60.30 3m82 n THR 146 Cb 0.31 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.12 3.10 0.00 -0.78 3.52 -1.10 -2.91 118.95 119.65 3m82 s ARG 147 Ca 0.22 0.85 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 3m82 s ARG 147 Cb 0.12 -4.23 0.00 0.00 -1.56 0.00 0.00 34.95 29.28 3m82 s ARG 147 CO 0.14 -2.16 0.00 0.41 -0.81 0.00 0.00 175.30 172.88 3m82 n GLY 148 N 5.45 0.47 0.00 8.12 0.00 -1.26 -1.28 105.19 116.69 3m82 n GLY 148 Ca 0.19 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.95 1.58 1.63 -0.61 3.06 -1.15 -2.42 119.36 118.51 3m82 n ILE 149 Ca 0.00 0.39 0.15 0.00 -2.50 0.00 0.00 62.75 60.79 3m82 n ILE 149 Cb 0.00 -1.29 0.70 0.00 0.54 0.00 0.00 39.64 39.59 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 -1.50 0.61 -3.66 9.51 4.77 -1.26 -4.56 117.00 120.91 3m82 n LEU 150 Ca 0.01 -0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 55.78 3m82 n LEU 150 Cb 0.07 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3m82 n LEU 150 CO 0.06 0.11 0.20 -0.62 -1.33 0.00 0.00 177.39 175.80 3m82 s ASP 151 N -2.17 -0.76 0.58 -1.43 2.15 -1.02 -4.97 116.67 109.05 3m82 s ASP 151 Ca 0.38 1.27 0.27 0.00 0.43 0.00 0.00 52.55 54.90 3m82 s ASP 151 Cb 0.21 1.37 1.70 0.00 -0.30 0.00 0.00 42.92 45.90 3m82 s ASP 151 CO 0.40 -0.22 2.21 1.55 -0.17 0.00 0.00 175.17 178.94 3m82 h PRO 152 N 7.38 0.00 0.00 4.34 0.13 -1.85 -1.39 132.00 140.62 3m82 h PRO 152 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 3m82 h PRO 152 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3m82 h PRO 152 CO 0.18 0.00 -0.27 0.00 -0.23 0.00 0.00 178.00 177.69 3m82 h ARG 153 N 0.00 0.00 -0.01 0.86 3.08 -1.96 -3.01 114.38 113.34 3m82 h ARG 153 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3m82 h ARG 153 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3m82 h ARG 153 CO -0.00 0.27 -0.51 0.25 -1.07 0.00 0.00 179.97 178.91 3m82 n THR 154 N -3.73 0.00 -2.17 2.04 -2.24 -0.57 -4.98 114.28 102.63 3m82 n THR 154 Ca -0.01 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 3m82 n THR 154 Cb 0.37 1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 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 -2.45 3.18 0.26 4.78 5.04 -0.89 -4.35 117.35 122.93 3m82 s TYR 155 Ca 0.17 1.25 -0.03 0.00 -2.44 0.00 0.00 57.07 56.02 3m82 s TYR 155 Cb 0.17 -3.64 0.55 0.00 0.35 0.00 0.00 41.96 39.39 3m82 s TYR 155 CO 0.58 -1.96 1.65 -0.92 -1.34 0.00 0.00 175.55 173.56 3m82 h TYR 156 N 4.80 0.17 0.00 4.97 3.20 -1.48 -2.05 116.97 126.57 3m82 h TYR 156 Ca -0.46 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.46 3m82 h TYR 156 Cb 1.22 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.54 3m82 h TYR 156 CO 0.60 -0.20 0.00 0.66 -1.64 0.00 0.00 178.16 177.58 3m82 n TYR 157 N -5.27 0.72 -0.18 -3.82 4.01 -1.26 -1.93 117.16 109.43 3m82 n TYR 157 Ca 0.17 0.22 -0.04 0.00 -0.16 0.00 0.00 57.90 58.10 3m82 n TYR 157 Cb 0.56 -0.87 0.06 0.00 -0.31 0.00 0.00 39.34 38.78 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 0.52 -0.22 -0.72 2.43 -1.67 0.34 114.38 115.06 3m82 h ARG 158 Ca 0.00 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 3m82 h ARG 158 Cb 0.61 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3m82 h ARG 158 CO 0.00 0.35 -0.45 0.00 -1.51 0.00 0.00 179.97 178.36 3m82 h ARG 159 N 0.54 0.69 -0.28 0.20 3.08 -1.50 -2.35 114.38 114.76 3m82 h ARG 159 Ca 0.24 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 3m82 h ARG 159 Cb 0.15 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3m82 h ARG 159 CO -0.16 1.07 0.13 0.28 -1.07 0.00 0.00 179.97 180.22 3m82 h VAL 160 N 0.40 1.15 -0.42 2.04 2.07 -1.39 -0.70 116.25 119.40 3m82 h VAL 160 Ca 0.01 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 3m82 h VAL 160 Cb 1.05 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3m82 h VAL 160 CO 0.10 0.15 -0.08 -0.26 0.02 0.00 0.00 177.57 177.50 3m82 h PHE 161 N 0.32 0.79 -0.26 1.57 0.04 -0.95 -1.42 116.94 117.03 3m82 h PHE 161 Ca 0.10 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 3m82 h PHE 161 Cb 0.12 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3m82 h PHE 161 CO -0.02 0.79 -0.16 1.15 -0.60 0.00 0.00 178.31 179.47 3m82 h THR 162 N 0.67 1.30 -0.86 -1.55 2.02 -1.31 -1.69 112.91 111.49 3m82 h THR 162 Ca 0.12 -1.27 0.20 0.00 0.77 0.00 0.00 66.41 66.23 3m82 h THR 162 Cb 0.54 1.58 -0.12 0.00 -1.74 0.00 0.00 68.15 68.41 3m82 h THR 162 CO 0.03 0.40 0.36 0.44 0.37 0.00 0.00 175.52 177.12 3m82 h ASP 163 N 0.28 0.30 -0.03 4.18 3.32 -0.87 -2.30 116.42 121.29 3m82 h ASP 163 Ca 0.05 0.14 -0.18 0.00 0.02 0.00 0.00 57.03 57.06 3m82 h ASP 163 Cb 0.68 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 3m82 h ASP 163 CO 0.04 0.03 -0.63 0.00 -1.72 0.00 0.00 179.24 176.96 3m82 h ALA 164 N 1.67 0.55 -0.51 3.45 0.00 -0.89 0.55 119.26 124.09 3m82 h ALA 164 Ca 0.52 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3m82 h ALA 164 Cb 0.92 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3m82 h ALA 164 CO -0.50 0.70 0.05 0.28 0.00 0.00 0.00 179.25 179.78 3m82 h VAL 165 N 0.47 1.26 0.00 0.00 2.07 -1.14 -3.08 116.25 115.83 3m82 h VAL 165 Ca -0.01 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 3m82 h VAL 165 Cb 1.21 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3m82 h VAL 165 CO 0.12 0.36 -0.37 0.03 0.02 0.00 0.00 177.57 177.72 3m82 h ARG 166 N 0.74 0.00 -0.46 1.57 2.47 -1.15 -2.77 114.38 114.78 3m82 h ARG 166 Ca 0.15 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 3m82 h ARG 166 Cb 0.45 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 3m82 h ARG 166 CO 0.02 0.37 0.21 0.00 0.56 0.00 0.00 179.97 181.13 3m82 h ALA 167 N 1.63 1.51 -0.36 0.04 0.00 -0.80 -0.34 119.26 120.93 3m82 h ALA 167 Ca -0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3m82 h ALA 167 Cb 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3m82 h ALA 167 CO 0.05 0.39 -0.28 0.28 0.00 0.00 0.00 179.25 179.69 3m82 h VAL 168 N 0.64 1.28 -0.56 0.00 2.07 -1.48 -1.22 116.25 116.98 3m82 h VAL 168 Ca 0.16 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 3m82 h VAL 168 Cb 0.09 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3m82 h VAL 168 CO -0.02 0.47 0.22 -0.33 0.02 0.00 0.00 177.57 177.93 3m82 h GLU 169 N 0.65 0.83 -0.27 1.57 4.39 -1.39 -0.99 114.58 119.38 3m82 h GLU 169 Ca 0.08 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3m82 h GLU 169 Cb 0.80 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 3m82 h GLU 169 CO 0.07 0.72 0.17 0.00 -1.16 0.00 0.00 179.01 178.81 3m82 h ALA 170 N 1.07 0.35 -0.11 3.43 0.00 -0.90 -2.31 119.26 120.78 3m82 h ALA 170 Ca 0.19 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3m82 h ALA 170 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3m82 h ALA 170 CO -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 179.25 179.04 3m82 h ALA 171 N 1.07 0.07 -0.18 0.00 0.00 -1.12 -2.49 119.26 116.61 3m82 h ALA 171 Ca 0.10 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3m82 h ALA 171 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3m82 h ALA 171 CO -0.02 -0.49 0.19 0.00 0.00 0.00 0.00 179.25 178.92 3m82 h ALA 172 N 1.10 1.84 0.00 0.00 0.00 -1.02 -1.22 119.26 119.95 3m82 h ALA 172 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3m82 h ALA 172 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3m82 h ALA 172 CO -0.12 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 177.72 3m82 n SER 173 N -3.89 0.80 -4.71 0.00 3.41 -0.88 -4.77 113.62 103.58 3m82 n SER 173 Ca 0.01 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 3m82 n SER 173 Cb 0.31 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 3m82 n SER 173 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3m82 s PHE 174 N -3.18 3.33 0.26 7.33 5.36 -0.46 -4.95 117.98 125.67 3m82 s PHE 174 Ca 0.08 1.23 -0.03 0.00 -0.96 0.00 0.00 56.93 57.25 3m82 s PHE 174 Cb 0.11 -3.45 0.39 0.00 -0.34 0.00 0.00 43.02 39.73 3m82 s PHE 174 CO 0.53 -1.42 1.86 -1.35 -1.46 0.00 0.00 175.22 173.38 3m82 h PRO 175 N 7.01 1.04 0.00 10.12 0.11 -1.88 -2.23 132.00 146.17 3m82 h PRO 175 Ca -0.40 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3m82 h PRO 175 Cb 1.20 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3m82 h PRO 175 CO 0.83 0.69 0.00 1.04 -0.21 0.00 0.00 178.00 180.35 3m82 n GLN 176 N -4.56 0.35 -2.54 1.05 6.02 -1.26 -4.80 117.38 111.63 3m82 n GLN 176 Ca 0.15 0.05 -0.43 0.00 -0.01 0.00 0.00 57.00 56.76 3m82 n GLN 176 Cb 0.20 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 3m82 n GLN 176 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3m82 s VAL 177 N -2.58 4.45 -0.41 5.09 1.01 -0.84 -0.00 120.40 127.11 3m82 s VAL 177 Ca 0.23 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 3m82 s VAL 177 Cb 0.17 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.44 3m82 s VAL 177 CO 0.39 -0.04 1.33 -0.62 0.00 0.00 0.00 175.10 176.16 3m82 s ASP 178 N 1.42 6.45 0.35 3.32 -1.08 0.79 -4.79 116.67 123.13 3m82 s ASP 178 Ca 0.52 0.79 0.27 0.00 -0.52 0.00 0.00 52.55 53.61 3m82 s ASP 178 Cb -0.21 -2.54 1.09 0.00 -1.46 0.00 0.00 42.92 39.80 3m82 s ASP 178 CO 0.18 -1.34 1.80 1.56 0.52 0.00 0.00 175.17 177.89 3m82 h GLN 179 N 10.15 0.00 -0.00 4.34 4.20 -1.93 -1.85 115.11 130.01 3m82 h GLN 179 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 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 1.09 0.00 -0.05 0.39 -0.67 0.00 0.00 178.83 179.59 3m82 n GLU 180 N -2.52 0.25 -2.69 1.46 -0.58 -1.26 -4.18 120.64 111.13 3m82 n GLU 180 Ca 0.02 -0.03 -0.17 0.00 -0.42 0.00 0.00 57.16 56.56 3m82 n GLU 180 Cb 0.26 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.35 1.98 -3.41 3.49 1.74 -0.70 -4.91 116.66 113.50 3m82 n ARG 181 Ca 0.11 -3.77 -0.40 0.00 -0.77 0.00 0.00 57.85 53.02 3m82 n ARG 181 Cb 0.29 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 29.96 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 -3.88 5.18 -0.10 0.55 1.01 -1.25 -0.87 121.20 121.85 3m82 s ILE 182 Ca 0.37 0.27 -0.03 0.00 0.00 0.00 0.00 60.65 61.26 3m82 s ILE 182 Cb 0.42 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3m82 s ILE 182 CO -0.06 0.04 0.02 -0.69 0.00 0.00 0.00 174.94 174.25 3m82 s VAL 183 N 2.02 4.44 -0.13 2.92 1.01 0.72 -0.53 120.40 130.84 3m82 s VAL 183 Ca 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 3m82 s VAL 183 Cb -0.16 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3m82 s VAL 183 CO 0.11 0.60 0.00 0.27 0.00 0.00 0.00 175.10 176.08 3m82 s ILE 184 N -0.79 4.27 -0.01 2.22 -4.36 0.05 0.00 121.20 122.59 3m82 s ILE 184 Ca 0.12 -0.24 -0.01 0.00 -0.26 0.00 0.00 60.65 60.26 3m82 s ILE 184 Cb -0.12 -2.85 0.00 0.00 1.25 0.00 0.00 42.46 40.75 3m82 s ILE 184 CO 0.02 0.54 0.03 0.00 0.24 0.00 0.00 174.94 175.77 3m82 s ALA 185 N -0.19 -0.08 -0.09 2.27 0.00 0.01 -0.55 121.76 123.15 3m82 s ALA 185 Ca 0.05 0.06 -0.32 0.00 0.00 0.00 0.00 51.96 51.75 3m82 s ALA 185 Cb -0.13 -0.04 0.12 0.00 0.00 0.00 0.00 23.12 23.07 3m82 s ALA 185 CO 0.02 -0.03 1.08 0.20 0.00 0.00 0.00 175.76 177.04 3m82 s GLY 186 N -0.07 -0.36 -0.54 0.00 0.00 -0.69 -1.18 107.32 104.46 3m82 s GLY 186 Ca -0.01 1.22 0.04 0.00 0.00 0.00 0.00 44.72 45.97 3m82 s GLY 186 CO 0.00 0.39 1.18 0.61 0.00 0.00 0.00 173.10 175.28 3m82 n GLY 187 N -0.20 5.86 0.00 0.20 0.00 -1.26 -1.71 105.19 108.07 3m82 n GLY 187 Ca -0.04 -2.74 0.00 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.40 0.00 0.08 1.61 7.27 -1.26 -3.07 117.38 121.61 3m82 n GLN 189 Ca 0.38 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.50 3m82 n GLN 189 Cb 0.52 0.00 0.48 0.00 2.41 0.00 0.00 30.24 33.65 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 0.41 1.02 1.69 0.00 -1.80 -0.65 103.07 103.73 3m82 h GLY 190 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 3m82 h GLY 190 CO 0.00 0.15 -0.14 -1.33 0.00 0.00 0.00 176.54 175.23 3m82 h GLY 191 N 0.43 0.91 1.27 4.60 0.00 -1.50 -0.16 103.07 108.61 3m82 h GLY 191 Ca 0.10 -0.77 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 3m82 h GLY 191 CO -0.02 0.71 -0.30 -1.33 0.00 0.00 0.00 176.54 175.60 3m82 h GLY 192 N 0.66 0.89 0.94 4.60 0.00 -1.42 -1.19 103.07 107.56 3m82 h GLY 192 Ca 0.10 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 3m82 h GLY 192 CO 0.05 0.75 0.05 -2.22 0.00 0.00 0.00 176.54 175.17 3m82 h ILE 193 N 0.69 1.07 -0.38 2.60 2.04 -1.12 -2.62 117.51 119.79 3m82 h ILE 193 Ca 0.08 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3m82 h ILE 193 Cb 0.84 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3m82 h ILE 193 CO 0.07 0.06 0.14 0.00 0.00 0.00 0.00 178.15 178.42 3m82 h ALA 194 N 0.97 1.53 -0.46 1.87 0.00 -0.90 -0.99 119.26 121.28 3m82 h ALA 194 Ca 0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3m82 h ALA 194 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3m82 h ALA 194 CO -0.01 0.36 -0.23 1.25 0.00 0.00 0.00 179.25 180.62 3m82 h LEU 195 N 0.54 0.98 -0.50 0.00 5.85 -1.17 0.55 115.31 121.55 3m82 h LEU 195 Ca 0.13 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 3m82 h LEU 195 Cb 0.14 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3m82 h LEU 195 CO -0.01 1.16 0.21 0.00 -0.34 0.00 0.00 178.44 179.46 3m82 h ALA 196 N 0.91 0.65 -0.42 1.25 0.00 -1.02 -3.04 119.26 117.58 3m82 h ALA 196 Ca 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3m82 h ALA 196 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3m82 h ALA 196 CO 0.07 0.25 0.03 0.28 0.00 0.00 0.00 179.25 179.88 3m82 h VAL 197 N 0.67 1.22 -0.15 0.00 2.07 -0.85 -1.86 116.25 117.35 3m82 h VAL 197 Ca 0.17 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3m82 h VAL 197 Cb 0.17 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3m82 h VAL 197 CO -0.02 0.30 0.15 0.77 0.02 0.00 0.00 177.57 178.79 3m82 h SER 198 N 0.63 0.00 0.23 0.57 4.64 -0.77 -0.07 113.55 118.78 3m82 h SER 198 Ca 0.13 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.17 3m82 h SER 198 Cb 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 3m82 h SER 198 CO 0.01 0.00 -2.03 0.00 -0.87 0.00 0.00 176.83 173.94 3m82 n ALA 199 N -2.38 1.69 -0.05 5.18 0.00 -0.83 -4.39 120.51 119.73 3m82 n ALA 199 Ca 0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 53.44 52.44 3m82 n ALA 199 Cb 0.26 -0.52 -0.16 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.80 0.09 -4.84 0.00 4.77 -0.76 -4.90 117.00 108.56 3m82 n LEU 200 Ca -0.23 0.04 -0.35 0.00 -0.03 0.00 0.00 56.01 55.44 3m82 n LEU 200 Cb 1.03 0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 42.33 3m82 n LEU 200 CO 0.44 0.28 0.23 -0.55 -1.33 0.00 0.00 177.39 176.45 3m82 s SER 201 N -5.17 6.83 -0.00 -1.43 0.15 -0.08 -4.99 113.70 109.02 3m82 s SER 201 Ca -0.09 1.07 0.22 0.00 0.70 0.00 0.00 55.95 57.85 3m82 s SER 201 Cb 0.09 -2.29 -0.19 0.00 -1.71 0.00 0.00 66.02 61.92 3m82 s SER 201 CO 0.86 0.12 0.86 0.29 1.20 0.00 0.00 173.24 176.57 3m82 n LYS 202 N 0.87 0.14 0.03 5.44 4.76 -1.26 -4.56 118.16 123.58 3m82 n LYS 202 Ca -0.06 -0.04 0.11 0.00 -2.87 0.00 0.00 58.31 55.45 3m82 n LYS 202 Cb 0.52 -1.51 -0.11 0.00 -1.84 0.00 0.00 35.03 32.09 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 -1.67 0.64 -2.35 1.97 4.76 -1.26 -4.95 118.16 115.30 3m82 n LYS 203 Ca 0.02 -0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 54.97 3m82 n LYS 203 Cb 0.38 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 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 -3.45 3.45 -0.05 7.82 0.00 -1.26 -4.73 121.76 123.53 3m82 s ALA 204 Ca -0.05 1.01 0.10 0.00 0.00 0.00 0.00 51.96 53.01 3m82 s ALA 204 Cb 0.12 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 3m82 s ALA 204 CO 0.87 -0.36 0.15 1.63 0.00 0.00 0.00 175.76 178.04 3m82 n LYS 205 N 1.75 1.18 -3.74 0.00 4.76 0.31 -4.95 118.16 117.46 3m82 n LYS 205 Ca 0.02 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.27 3m82 n LYS 205 Cb 0.44 -1.24 -0.08 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.52 -0.85 -0.15 7.82 0.00 -1.16 -4.20 121.76 120.70 3m82 s ALA 206 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3m82 s ALA 206 Cb 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3m82 s ALA 206 CO 0.41 -0.30 -0.15 -1.17 0.00 0.00 0.00 175.76 174.56 3m82 s LEU 207 N -1.44 2.54 -0.30 0.00 2.96 0.14 -0.77 118.68 121.81 3m82 s LEU 207 Ca -0.12 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 3m82 s LEU 207 Cb -0.04 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 45.09 3m82 s LEU 207 CO 0.03 0.10 0.08 -0.76 -1.32 0.00 0.00 176.35 174.48 3m82 s LEU 208 N 0.72 3.86 -0.39 -0.68 1.43 0.29 -1.11 118.68 122.81 3m82 s LEU 208 Ca -0.07 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 3m82 s LEU 208 Cb -0.15 -1.87 0.12 0.00 0.03 0.00 0.00 46.19 44.31 3m82 s LEU 208 CO 0.01 -0.20 0.16 0.00 0.23 0.00 0.00 176.35 176.56 3m82 s ASP 210 N 0.77 6.43 -0.97 0.00 1.01 -0.69 -2.12 116.67 121.09 3m82 s ASP 210 Ca 0.14 0.51 -0.09 0.00 0.71 0.00 0.00 52.55 53.82 3m82 s ASP 210 Cb -0.22 -2.11 0.01 0.00 1.01 0.00 0.00 42.92 41.62 3m82 s ASP 210 CO -0.09 0.34 0.17 1.33 0.21 0.00 0.00 175.17 177.13 3m82 n VAL 211 N 2.32 -1.08 -1.88 -1.27 0.24 -0.59 -4.26 118.33 111.81 3m82 n VAL 211 Ca -0.18 -0.36 -0.41 0.00 -2.04 0.00 0.00 64.34 61.35 3m82 n VAL 211 Cb 0.54 -0.98 -0.02 0.00 -1.47 0.00 0.00 33.84 31.91 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 -6.25 4.18 0.44 7.34 0.04 -1.26 -4.76 135.00 134.72 3m82 s PRO 212 Ca 0.13 2.46 0.06 0.00 0.04 0.00 0.00 61.00 63.69 3m82 s PRO 212 Cb -0.07 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.42 3m82 s PRO 212 CO 0.67 -0.55 0.60 0.12 0.04 0.00 0.00 177.00 177.89 3m82 s PHE 213 N 0.04 2.91 -0.84 0.56 5.36 -1.26 -4.65 117.98 120.10 3m82 s PHE 213 Ca 0.62 -0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 56.31 3m82 s PHE 213 Cb -0.45 -2.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.84 3m82 s PHE 213 CO 0.45 -0.44 0.52 1.28 -1.46 0.00 0.00 175.22 175.57 3m82 n LEU 214 N -1.94 -2.51 -4.01 6.12 4.77 -1.26 -3.43 117.00 114.75 3m82 n LEU 214 Ca 0.06 -0.24 -0.21 0.00 -0.03 0.00 0.00 56.01 55.59 3m82 n LEU 214 Cb 0.59 -1.95 -0.16 0.00 -2.33 0.00 0.00 43.42 39.58 3m82 n LEU 214 CO 0.41 0.26 -0.44 0.00 -1.33 0.00 0.00 177.39 176.29 3m82 n HIS 216 N 3.42 -1.80 -0.33 0.00 -0.00 -1.26 -4.69 115.22 110.56 3m82 n HIS 216 Ca -0.20 0.61 0.09 0.00 0.46 0.00 0.00 57.72 58.69 3m82 n HIS 216 Cb 0.53 -3.67 0.26 0.00 -0.12 0.00 0.00 29.99 27.00 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 0.98 -0.63 1.57 0.04 -1.95 -0.86 116.94 114.22 3m82 h PHE 217 Ca -0.65 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.08 3m82 h PHE 217 Cb 1.37 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 3m82 h PHE 217 CO 0.41 0.27 0.07 -0.09 -0.60 0.00 0.00 178.31 178.38 3m82 h ARG 218 N 0.78 1.05 -0.10 1.51 9.65 -1.98 -2.15 114.38 123.14 3m82 h ARG 218 Ca 0.52 -0.29 -0.16 0.00 -1.10 0.00 0.00 59.98 58.95 3m82 h ARG 218 Cb 0.70 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 29.17 3m82 h ARG 218 CO -0.34 0.99 -0.55 -0.09 2.80 0.00 0.00 179.97 182.77 3m82 h ARG 219 N 0.98 0.55 -0.72 0.20 9.65 -1.77 -3.22 114.38 120.06 3m82 h ARG 219 Ca 0.19 -0.46 0.13 0.00 -1.10 0.00 0.00 59.98 58.74 3m82 h ARG 219 Cb 0.47 0.10 -0.09 0.00 -1.39 0.00 0.00 29.97 29.05 3m82 h ARG 219 CO 0.02 1.09 0.27 0.00 2.80 0.00 0.00 179.97 184.15 3m82 h ALA 220 N 0.47 0.98 0.00 2.80 0.00 -0.99 -1.94 119.26 120.58 3m82 h ALA 220 Ca -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3m82 h ALA 220 Cb 1.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3m82 h ALA 220 CO 0.11 -0.21 -0.18 0.28 0.00 0.00 0.00 179.25 179.25 3m82 h VAL 221 N 0.42 0.35 -0.00 0.00 2.07 -1.49 -2.15 116.25 115.45 3m82 h VAL 221 Ca 0.39 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3m82 h VAL 221 Cb 0.56 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3m82 h VAL 221 CO -0.39 0.18 -0.68 0.00 0.02 0.00 0.00 177.57 176.70 3m82 n GLN 222 N -3.20 0.21 -0.11 1.57 10.64 -1.00 -4.49 117.38 121.00 3m82 n GLN 222 Ca 0.02 -0.15 -0.21 0.00 -1.83 0.00 0.00 57.00 54.83 3m82 n GLN 222 Cb 0.52 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.29 3m82 n GLN 222 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3m82 n LEU 223 N -1.26 2.71 -4.28 2.61 0.00 -0.76 -5.03 117.00 110.98 3m82 n LEU 223 Ca 0.06 0.01 -0.23 0.00 0.00 0.00 0.00 56.01 55.86 3m82 n LEU 223 Cb 0.35 -0.92 -0.12 0.00 0.00 0.00 0.00 43.42 42.72 3m82 n LEU 223 CO 0.37 0.84 -0.50 0.68 0.00 0.00 0.00 177.39 178.77 3m82 s VAL 224 N -2.52 1.65 -0.45 1.96 -7.23 -0.83 -5.02 120.40 107.95 3m82 s VAL 224 Ca -0.34 -1.59 0.13 0.00 -1.81 0.00 0.00 61.98 58.38 3m82 s VAL 224 Cb 0.10 -1.55 0.38 0.00 0.56 0.00 0.00 36.38 35.87 3m82 s VAL 224 CO 0.60 -0.14 1.30 -0.90 -0.31 0.00 0.00 175.10 175.66 3m82 n ASP 225 N 0.95 3.25 -4.86 4.85 5.68 -1.26 -4.68 116.55 120.48 3m82 n ASP 225 Ca -0.18 -2.54 -0.31 0.00 -0.50 0.00 0.00 54.79 51.25 3m82 n ASP 225 Cb 0.54 -0.37 -0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3m82 n ASP 225 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3m82 s THR 226 N -1.97 4.64 0.43 2.12 -4.23 -1.26 -4.70 115.64 110.66 3m82 s THR 226 Ca 0.31 0.97 -0.20 0.00 -1.18 0.00 0.00 61.69 61.58 3m82 s THR 226 Cb 0.22 -3.82 -0.11 0.00 1.34 0.00 0.00 72.50 70.14 3m82 s THR 226 CO 0.10 -1.02 0.93 -1.00 -0.54 0.00 0.00 174.62 173.10 3m82 s HIS 227 N -3.02 3.33 -1.14 3.99 3.76 -1.26 -0.63 115.29 120.31 3m82 s HIS 227 Ca 0.56 1.56 0.28 0.00 -0.15 0.00 0.00 55.06 57.31 3m82 s HIS 227 Cb -0.11 -2.81 1.03 0.00 1.11 0.00 0.00 32.58 31.80 3m82 s HIS 227 CO 0.48 -0.11 1.77 -2.30 -0.85 0.00 0.00 174.74 173.73 3m82 n PRO 228 N -0.68 0.15 -0.05 8.40 -0.02 -1.26 -4.89 135.00 136.65 3m82 n PRO 228 Ca 0.07 -0.04 0.12 0.00 -2.02 0.00 0.00 63.50 61.63 3m82 n PRO 228 Cb 0.54 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 33.05 3m82 n PRO 228 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3m82 h TYR 229 N 0.11 0.36 0.00 6.00 0.05 -1.86 -1.99 116.97 119.64 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 0.46 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.09 3m82 h TYR 229 CO 0.00 0.17 0.00 0.00 -1.05 0.00 0.00 178.16 177.29 3m82 h ALA 230 N 1.72 1.00 -0.83 3.88 0.00 -1.15 -1.96 119.26 121.92 3m82 h ALA 230 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3m82 h ALA 230 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3m82 h ALA 230 CO -0.06 -0.00 0.52 0.93 0.00 0.00 0.00 179.25 180.63 3m82 h GLU 231 N 0.00 1.11 -0.15 0.00 5.08 -1.64 -0.64 114.58 118.34 3m82 h GLU 231 Ca 0.00 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3m82 h GLU 231 Cb 0.01 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 3m82 h GLU 231 CO 0.00 0.77 -0.04 0.82 -1.00 0.00 0.00 179.01 179.56 3m82 h ILE 232 N 1.13 1.29 -0.46 3.13 2.04 -1.55 -1.96 117.51 121.13 3m82 h ILE 232 Ca 0.30 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.19 3m82 h ILE 232 Cb -0.08 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3m82 h ILE 232 CO -0.06 0.29 0.26 0.74 0.00 0.00 0.00 178.15 179.38 3m82 h THR 233 N -0.01 1.02 -0.82 -0.27 2.02 -1.54 -0.85 112.91 112.45 3m82 h THR 233 Ca 0.04 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3m82 h THR 233 Cb 0.47 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3m82 h THR 233 CO 0.02 0.09 0.40 0.78 0.37 0.00 0.00 175.52 177.18 3m82 h ASN 234 N 0.51 1.06 -0.32 4.18 2.35 -1.04 0.55 115.58 122.88 3m82 h ASN 234 Ca 0.19 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3m82 h ASN 234 Cb 0.05 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 3m82 h ASN 234 CO -0.10 0.89 0.10 0.15 -1.65 0.00 0.00 177.43 176.82 3m82 h PHE 235 N 1.16 0.17 -0.13 1.19 3.04 -1.05 -2.83 116.94 118.50 3m82 h PHE 235 Ca 0.28 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.18 3m82 h PHE 235 Cb 0.11 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 3m82 h PHE 235 CO 0.01 0.07 -0.24 -0.07 -2.02 0.00 0.00 178.31 176.06 3m82 h LEU 236 N 0.23 0.22 -1.47 0.59 3.38 -0.72 0.18 115.31 117.72 3m82 h LEU 236 Ca 0.14 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3m82 h LEU 236 Cb 0.13 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3m82 h LEU 236 CO -0.16 0.47 0.43 0.11 0.09 0.00 0.00 178.44 179.38 3m82 h LYS 237 N 0.21 0.64 0.01 1.13 1.57 -0.64 -3.28 116.57 116.21 3m82 h LYS 237 Ca 0.04 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 3m82 h LYS 237 Cb 0.54 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3m82 h LYS 237 CO 0.04 0.42 -1.74 2.41 -0.57 0.00 0.00 179.45 180.01 3m82 n THR 238 N -4.48 1.56 -2.35 -0.16 -1.04 -1.03 -4.62 114.28 102.17 3m82 n THR 238 Ca 0.09 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 3m82 n THR 238 Cb 0.23 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 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 -4.22 2.82 0.33 -1.42 8.25 0.59 -4.79 115.22 116.78 3m82 n HIS 239 Ca -0.39 -2.77 0.15 0.00 -0.26 0.00 0.00 57.72 54.45 3m82 n HIS 239 Cb 0.79 -1.87 0.63 0.00 1.12 0.00 0.00 29.99 30.66 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 5.57 0.00 -0.01 -0.41 3.08 -1.82 -1.00 114.38 119.79 3m82 h ARG 240 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3m82 h ARG 240 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3m82 h ARG 240 CO 1.59 0.00 -0.02 -0.40 -1.07 0.00 0.00 179.97 180.07 3m82 n ASP 241 N -2.63 1.06 -0.44 7.04 5.75 -1.26 -4.45 116.55 121.62 3m82 n ASP 241 Ca 0.01 -1.30 0.07 0.00 -0.01 0.00 0.00 54.79 53.55 3m82 n ASP 241 Cb 0.23 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.48 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 -0.21 2.47 -0.06 0.11 4.76 -0.38 -4.76 118.16 120.10 3m82 n LYS 242 Ca 0.20 -2.35 -0.11 0.00 -2.87 0.00 0.00 58.31 53.18 3m82 n LYS 242 Cb 0.29 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.97 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 1.01 0.32 -0.48 1.97 4.81 -1.78 -1.40 114.58 119.03 3m82 h GLU 243 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3m82 h GLU 243 Cb 0.99 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 3m82 h GLU 243 CO 0.07 0.37 0.18 1.49 -0.73 0.00 0.00 179.01 180.39 3m82 h GLU 244 N 0.20 0.72 -0.75 1.92 4.81 -1.95 -2.50 114.58 117.03 3m82 h GLU 244 Ca 0.07 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3m82 h GLU 244 Cb 0.17 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3m82 h GLU 244 CO -0.01 0.66 0.37 0.82 -0.73 0.00 0.00 179.01 180.13 3m82 h ILE 245 N 0.63 1.24 -0.16 2.32 2.04 -1.87 -1.74 117.51 119.98 3m82 h ILE 245 Ca 0.16 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3m82 h ILE 245 Cb 0.22 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3m82 h ILE 245 CO -0.01 0.28 0.09 0.58 0.00 0.00 0.00 178.15 179.09 3m82 h VAL 246 N 1.05 1.09 0.00 1.67 2.07 -1.08 -1.36 116.25 119.70 3m82 h VAL 246 Ca 0.26 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 3m82 h VAL 246 Cb 0.10 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3m82 h VAL 246 CO -0.03 0.08 -0.35 -0.26 0.02 0.00 0.00 177.57 177.03 3m82 h PHE 247 N 0.17 0.00 0.15 1.57 0.04 -1.39 -1.37 116.94 116.10 3m82 h PHE 247 Ca 0.06 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3m82 h PHE 247 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3m82 h PHE 247 CO -0.05 0.35 -0.07 -0.09 -0.60 0.00 0.00 178.31 177.85 3m82 h ARG 248 N 0.00 -0.20 -0.17 1.51 2.43 -1.19 -2.08 114.38 114.68 3m82 h ARG 248 Ca -0.00 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3m82 h ARG 248 Cb 1.21 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 3m82 h ARG 248 CO 0.05 -0.01 -0.04 1.15 -1.51 0.00 0.00 179.97 179.61 3m82 h THR 249 N -0.35 0.83 0.00 0.20 2.02 -1.05 -2.78 112.91 111.78 3m82 h THR 249 Ca -0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3m82 h THR 249 Cb 0.27 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3m82 h THR 249 CO 0.03 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.74 3m82 h LEU 250 N 0.01 0.00 -2.00 2.58 3.38 -1.26 -2.45 115.31 115.56 3m82 h LEU 250 Ca 0.08 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.15 3m82 h LEU 250 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3m82 h LEU 250 CO -0.18 0.12 0.24 0.77 0.09 0.00 0.00 178.44 179.48 3m82 h SER 251 N 0.00 0.00 0.73 -0.43 4.64 -1.08 -1.46 113.55 115.96 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 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3m82 h SER 251 CO 0.01 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 3m82 n TYR 252 N -4.44 0.06 -0.20 4.77 4.02 -0.92 -3.51 117.16 116.94 3m82 n TYR 252 Ca 0.05 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3m82 n TYR 252 Cb 0.42 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 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 -1.55 0.00 -2.81 -0.72 3.72 -0.58 -5.03 117.46 110.49 3m82 n PHE 253 Ca 0.05 -0.27 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 3m82 n PHE 253 Cb 0.25 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.53 6.99 0.57 4.37 -1.08 -1.04 -4.86 116.67 121.08 3m82 s ASP 254 Ca 0.00 1.22 0.27 0.00 -0.52 0.00 0.00 52.55 53.52 3m82 s ASP 254 Cb 0.00 -2.48 1.53 0.00 -1.46 0.00 0.00 42.92 40.51 3m82 s ASP 254 CO 0.00 -0.50 2.04 1.23 0.52 0.00 0.00 175.17 178.46 3m82 h GLY 255 N 8.80 0.00 1.01 2.66 0.00 -1.48 0.12 103.07 114.18 3m82 h GLY 255 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3m82 h GLY 255 CO 0.88 0.00 0.47 -2.08 0.00 0.00 0.00 176.54 175.81 3m82 h VAL 256 N 0.00 1.20 -0.05 4.60 2.07 -1.90 0.72 116.25 122.89 3m82 h VAL 256 Ca 0.15 -0.42 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 3m82 h VAL 256 Cb 0.73 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3m82 h VAL 256 CO -0.00 0.21 -0.70 0.78 0.02 0.00 0.00 177.57 177.87 3m82 h ASN 257 N 1.02 0.32 -0.36 0.57 2.35 -1.32 -2.58 115.58 115.59 3m82 h ASN 257 Ca 0.27 -0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 3m82 h ASN 257 Cb -0.07 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3m82 h ASN 257 CO -0.05 0.92 -0.32 -0.26 -1.65 0.00 0.00 177.43 176.07 3m82 h PHE 258 N 0.19 1.01 -0.73 1.19 0.04 -1.45 -3.29 116.94 113.89 3m82 h PHE 258 Ca -0.02 -0.29 0.08 0.00 2.80 0.00 0.00 57.97 60.53 3m82 h PHE 258 Cb 1.26 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 39.13 3m82 h PHE 258 CO 0.03 1.09 0.40 0.00 -0.60 0.00 0.00 178.31 179.22 3m82 h ALA 259 N 0.76 1.00 -0.05 2.45 0.00 -0.73 -1.68 119.26 121.01 3m82 h ALA 259 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3m82 h ALA 259 Cb 0.90 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3m82 h ALA 259 CO 0.08 0.05 0.22 0.00 0.00 0.00 0.00 179.25 179.60 3m82 h ALA 260 N 1.40 1.35 0.00 0.00 0.00 -1.45 -2.15 119.26 118.41 3m82 h ALA 260 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3m82 h ALA 260 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3m82 h ALA 260 CO -0.22 -0.24 -0.97 0.54 0.00 0.00 0.00 179.25 178.36 3m82 n ARG 261 N -3.13 1.64 -2.81 0.00 1.74 -0.67 -4.66 116.66 108.77 3m82 n ARG 261 Ca -0.01 -0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 56.63 3m82 n ARG 261 Cb 0.29 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.59 3.35 0.00 7.54 0.00 -0.92 -4.85 121.76 124.29 3m82 s ALA 262 Ca 0.03 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3m82 s ALA 262 Cb 0.11 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3m82 s ALA 262 CO 0.62 0.19 0.00 1.63 0.00 0.00 0.00 175.76 178.20 3m82 n LYS 263 N 1.77 4.24 -2.65 0.00 4.76 -1.26 -1.30 118.16 123.72 3m82 n LYS 263 Ca -0.02 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.10 3m82 n LYS 263 Cb 0.48 -0.67 -0.05 0.00 -1.84 0.00 0.00 35.03 32.95 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 -1.32 4.55 0.41 -0.18 -4.36 -1.26 -4.23 121.20 114.82 3m82 s ILE 264 Ca 0.00 1.17 -0.26 0.00 -0.26 0.00 0.00 60.65 61.30 3m82 s ILE 264 Cb 0.00 -3.68 -0.10 0.00 1.25 0.00 0.00 42.46 39.93 3m82 s ILE 264 CO 0.00 -0.52 1.33 -2.65 0.24 0.00 0.00 174.94 173.34 3m82 n PRO 265 N -1.18 2.11 -3.99 0.37 -0.02 -1.26 -4.31 135.00 126.73 3m82 n PRO 265 Ca 0.06 0.75 -0.13 0.00 -2.02 0.00 0.00 63.50 62.15 3m82 n PRO 265 Cb 0.54 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.42 3m82 n PRO 265 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m82 s ALA 266 N -1.17 0.19 -0.24 3.55 0.00 -0.36 -0.69 121.76 123.03 3m82 s ALA 266 Ca 0.59 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 3m82 s ALA 266 Cb -0.50 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.61 3m82 s ALA 266 CO 0.59 0.02 -0.04 -1.17 0.00 0.00 0.00 175.76 175.16 3m82 s LEU 267 N -0.23 3.14 0.28 0.00 2.96 -0.26 -1.70 118.68 122.87 3m82 s LEU 267 Ca -0.01 -0.70 0.03 0.00 -0.22 0.00 0.00 54.13 53.23 3m82 s LEU 267 Cb -0.02 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 3m82 s LEU 267 CO -0.00 -0.10 0.43 -0.36 -1.32 0.00 0.00 176.35 175.00 3m82 s PHE 268 N 1.39 3.47 0.07 5.38 0.40 0.54 -1.15 117.98 128.08 3m82 s PHE 268 Ca 0.02 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 3m82 s PHE 268 Cb -0.16 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 3m82 s PHE 268 CO -0.04 0.32 -0.07 -1.54 0.70 0.00 0.00 175.22 174.60 3m82 s SER 269 N -3.97 0.98 -0.09 1.36 1.04 -0.90 -1.12 113.70 111.00 3m82 s SER 269 Ca 0.36 -0.76 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 3m82 s SER 269 Cb -0.09 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.12 3m82 s SER 269 CO 0.32 -0.33 0.27 0.54 0.98 0.00 0.00 173.24 175.02 3m82 s VAL 270 N -2.42 0.01 -0.21 5.02 0.11 -0.74 -1.55 120.40 120.62 3m82 s VAL 270 Ca 0.00 -0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 3m82 s VAL 270 Cb -0.03 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 3m82 s VAL 270 CO -0.02 -0.04 0.03 -0.83 -3.33 0.00 0.00 175.10 170.91 3m82 s GLY 271 N -0.05 1.77 0.21 6.54 0.00 -1.26 -1.32 107.32 113.21 3m82 s GLY 271 Ca -0.02 -0.98 0.24 0.00 0.00 0.00 0.00 44.72 43.97 3m82 s GLY 271 CO 0.01 0.28 1.74 1.04 0.00 0.00 0.00 173.10 176.16 3m82 n LEU 272 N 4.29 0.65 -1.16 0.66 4.77 -0.68 -2.09 117.00 123.44 3m82 n LEU 272 Ca -0.17 0.61 0.08 0.00 -0.03 0.00 0.00 56.01 56.51 3m82 n LEU 272 Cb 0.52 -0.47 0.29 0.00 -2.33 0.00 0.00 43.42 41.43 3m82 n LEU 272 CO 0.32 -0.37 0.75 0.23 -1.33 0.00 0.00 177.39 176.99 3m82 n MET 273 N -2.17 3.45 -2.25 3.23 2.81 -0.62 -4.59 117.12 116.97 3m82 n MET 273 Ca 0.04 -2.84 -0.43 0.00 -1.81 0.00 0.00 57.70 52.66 3m82 n MET 273 Cb 0.31 -1.88 -0.02 0.00 -0.71 0.00 0.00 33.22 30.91 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 -1.47 6.37 0.00 7.83 -1.08 -0.89 -4.40 116.67 123.04 3m82 s ASP 274 Ca 0.44 1.21 0.24 0.00 -0.52 0.00 0.00 52.55 53.92 3m82 s ASP 274 Cb 0.33 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.54 3m82 s ASP 274 CO 0.13 -1.33 1.31 -0.46 0.52 0.00 0.00 175.17 175.34 3m82 n ASN 275 N 8.62 3.19 -0.11 -0.34 6.94 -1.26 -3.57 115.26 128.73 3m82 n ASN 275 Ca 0.18 -2.00 -0.23 0.00 -0.02 0.00 0.00 54.58 52.51 3m82 n ASN 275 Cb 0.47 -0.10 -0.11 0.00 -2.36 0.00 0.00 39.78 37.67 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 1.41 1.53 -3.84 1.53 2.08 -1.26 -4.58 119.36 116.23 3m82 n ILE 276 Ca 0.16 -0.07 -0.31 0.00 0.56 0.00 0.00 62.75 63.09 3m82 n ILE 276 Cb 0.60 -2.03 -0.11 0.00 -0.75 0.00 0.00 39.64 37.36 3m82 n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m82 n PRO 278 N 2.41 1.48 -0.33 0.00 -0.04 -1.23 -4.75 135.00 132.54 3m82 n PRO 278 Ca 0.16 0.54 0.14 0.00 -0.04 0.00 0.00 63.50 64.30 3m82 n PRO 278 Cb 0.35 -2.31 0.36 0.00 -0.04 0.00 0.00 33.50 31.86 3m82 n PRO 278 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3m82 h PRO 279 N 1.37 0.68 -0.04 0.54 0.11 -1.78 -1.04 132.00 131.84 3m82 h PRO 279 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3m82 h PRO 279 Cb 1.32 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3m82 h PRO 279 CO 0.56 0.45 -0.17 0.66 -0.21 0.00 0.00 178.00 179.29 3m82 h SER 280 N 0.70 0.06 0.31 -2.05 4.64 -1.93 0.64 113.55 115.92 3m82 h SER 280 Ca 0.54 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 61.57 3m82 h SER 280 Cb 0.93 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3m82 h SER 280 CO -0.32 0.23 -1.22 0.71 -0.87 0.00 0.00 176.83 175.37 3m82 h THR 281 N 0.06 1.36 -0.24 2.95 1.35 -1.53 -1.33 112.91 115.53 3m82 h THR 281 Ca 0.01 -2.64 -0.09 0.00 -0.55 0.00 0.00 66.41 63.14 3m82 h THR 281 Cb 0.33 2.74 -0.00 0.00 -1.73 0.00 0.00 68.15 69.49 3m82 h THR 281 CO 0.02 0.79 -0.21 0.58 -0.25 0.00 0.00 175.52 176.45 3m82 h VAL 282 N 0.20 1.31 -0.24 6.82 2.07 -1.21 -2.97 116.25 122.23 3m82 h VAL 282 Ca -0.16 -1.36 -0.09 0.00 0.82 0.00 0.00 66.70 65.91 3m82 h VAL 282 Cb 1.90 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 3m82 h VAL 282 CO 0.22 0.42 -0.24 -0.26 0.02 0.00 0.00 177.57 177.73 3m82 h PHE 283 N 0.28 0.49 -0.05 1.57 0.04 -0.94 0.12 116.94 118.45 3m82 h PHE 283 Ca 0.04 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.74 3m82 h PHE 283 Cb 0.75 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.75 3m82 h PHE 283 CO 0.07 0.65 -0.14 0.00 -0.60 0.00 0.00 178.31 178.29 3m82 h ALA 284 N 1.36 -0.12 -0.04 2.45 0.00 -1.24 0.91 119.26 122.57 3m82 h ALA 284 Ca 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m82 h ALA 284 Cb 0.63 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3m82 h ALA 284 CO 0.05 -0.62 0.03 0.00 0.00 0.00 0.00 179.25 178.70 3m82 h ALA 285 N 0.78 0.06 -0.43 0.00 0.00 -1.32 -2.68 119.26 115.66 3m82 h ALA 285 Ca 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3m82 h ALA 285 Cb 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3m82 h ALA 285 CO -0.17 -0.43 0.22 -0.92 0.00 0.00 0.00 179.25 177.95 3m82 h TYR 286 N 0.02 0.41 -0.30 0.00 3.20 -0.87 -1.14 116.97 118.30 3m82 h TYR 286 Ca 0.02 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 3m82 h TYR 286 Cb 0.03 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3m82 h TYR 286 CO -0.06 0.21 -0.06 -0.91 -1.64 0.00 0.00 178.16 175.70 3m82 h ASN 287 N 0.44 0.45 1.10 -2.11 2.35 -0.77 -2.28 115.58 114.76 3m82 h ASN 287 Ca 0.18 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3m82 h ASN 287 Cb 0.08 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3m82 h ASN 287 CO -0.12 0.56 -0.22 -1.22 -1.65 0.00 0.00 177.43 174.78 3m82 n TYR 288 N -4.25 0.52 -1.68 1.19 4.01 -1.02 -4.89 117.16 111.04 3m82 n TYR 288 Ca 0.01 0.15 -0.46 0.00 -0.16 0.00 0.00 57.90 57.44 3m82 n TYR 288 Cb 0.28 -0.69 -0.04 0.00 -0.31 0.00 0.00 39.34 38.58 3m82 n TYR 288 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3m82 n TYR 289 N -1.97 2.40 1.09 -0.72 9.36 -0.44 -3.29 117.16 123.59 3m82 n TYR 289 Ca 0.05 -0.02 0.12 0.00 3.32 0.00 0.00 57.90 61.37 3m82 n TYR 289 Cb 0.40 -2.67 0.14 0.00 -0.63 0.00 0.00 39.34 36.59 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 5.77 3.56 -1.99 2.98 0.00 -0.86 -4.93 120.51 125.06 3m82 n ALA 290 Ca 0.20 -0.52 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 3m82 n ALA 290 Cb 0.32 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.62 1.80 0.29 0.00 0.00 -0.42 -4.75 107.32 101.63 3m82 s GLY 291 Ca 0.18 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.01 3m82 s GLY 291 CO 0.61 -1.20 1.60 -1.05 0.00 0.00 0.00 173.10 173.06 3m82 n PRO 292 N -2.45 2.70 -3.78 2.90 -0.02 -1.26 -4.87 135.00 128.22 3m82 n PRO 292 Ca 0.11 0.96 -0.12 0.00 -2.02 0.00 0.00 63.50 62.43 3m82 n PRO 292 Cb 0.60 -2.75 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 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 -0.41 0.70 0.03 -0.52 -2.85 -1.26 -1.22 119.74 114.21 3m82 s LYS 293 Ca 0.65 -0.38 -0.01 0.00 -1.00 0.00 0.00 55.97 55.23 3m82 s LYS 293 Cb -0.50 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 35.55 3m82 s LYS 293 CO 0.48 -0.21 -0.01 -1.21 0.10 0.00 0.00 175.35 174.50 3m82 s GLU 294 N -1.92 0.43 -0.06 1.78 2.02 -0.69 -4.98 118.70 115.28 3m82 s GLU 294 Ca -0.10 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.13 3m82 s GLU 294 Cb -0.03 0.15 0.02 0.00 0.10 0.00 0.00 34.13 34.37 3m82 s GLU 294 CO 0.00 -0.08 -0.10 -1.50 0.02 0.00 0.00 175.26 173.61 3m82 s ILE 295 N -2.26 0.93 -0.20 -1.63 2.07 -1.26 -0.34 121.20 118.51 3m82 s ILE 295 Ca -0.08 -0.36 -0.16 0.00 -1.41 0.00 0.00 60.65 58.64 3m82 s ILE 295 Cb -0.04 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.64 3m82 s ILE 295 CO -0.04 0.31 0.39 -0.13 -1.91 0.00 0.00 174.94 173.56 3m82 s ARG 296 N 0.71 4.18 -0.17 3.50 1.81 -0.27 -4.97 118.95 123.73 3m82 s ARG 296 Ca -0.13 0.18 -0.04 0.00 -1.72 0.00 0.00 55.73 54.02 3m82 s ARG 296 Cb -0.15 -3.53 -0.02 0.00 -0.45 0.00 0.00 34.95 30.79 3m82 s ARG 296 CO 0.03 -0.02 -0.03 0.42 -0.68 0.00 0.00 175.30 175.01 3m82 s ILE 297 N 1.25 3.80 -0.48 1.52 1.01 -1.26 -1.80 121.20 125.25 3m82 s ILE 297 Ca 0.19 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.48 3m82 s ILE 297 Cb -0.15 -2.68 0.13 0.00 0.01 0.00 0.00 42.46 39.76 3m82 s ILE 297 CO 0.08 0.47 0.23 -0.31 0.00 0.00 0.00 174.94 175.40 3m82 s TYR 298 N 0.67 3.43 0.44 3.97 2.02 -0.43 -5.00 117.35 122.46 3m82 s TYR 298 Ca -0.02 -2.96 0.22 0.00 -0.37 0.00 0.00 57.07 53.94 3m82 s TYR 298 Cb -0.14 -2.97 1.30 0.00 -0.40 0.00 0.00 41.96 39.75 3m82 s TYR 298 CO 0.02 -0.84 2.06 -1.35 -1.57 0.00 0.00 175.55 173.86 3m82 h PRO 299 N 7.08 0.00 -0.09 -1.71 0.11 -1.96 -1.78 132.00 133.65 3m82 h PRO 299 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3m82 h PRO 299 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3m82 h PRO 299 CO 0.65 0.14 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 3m82 n TYR 300 N -3.93 0.10 -3.59 0.65 4.01 -1.26 -4.11 117.16 109.03 3m82 n TYR 300 Ca -0.02 -0.09 -0.33 0.00 -0.16 0.00 0.00 57.90 57.30 3m82 n TYR 300 Cb 0.23 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.12 6.59 0.00 7.72 -0.87 -1.16 -4.84 114.94 121.26 3m82 s ASN 301 Ca 0.18 0.74 0.00 0.00 -1.57 0.00 0.00 52.86 52.22 3m82 s ASN 301 Cb 0.12 -2.16 0.00 0.00 -0.02 0.00 0.00 41.25 39.19 3m82 s ASN 301 CO 0.18 0.11 0.00 0.59 -2.57 0.00 0.00 177.10 175.41 3m82 n ASN 302 N 0.55 0.00 0.23 -1.22 4.13 -1.26 -1.60 115.26 116.09 3m82 n ASN 302 Ca -0.05 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.36 3m82 n ASN 302 Cb 0.52 0.00 0.67 0.00 -1.54 0.00 0.00 39.78 39.43 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 -2.00 115.15 114.33 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 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 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 -1.18 3.46 0.19 1.06 0.00 -0.75 -2.42 105.19 105.54 3m82 n GLY 305 Ca -0.03 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.74 7.00 -0.02 0.00 -1.26 -4.80 105.19 105.36 3m82 n GLY 306 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.29 2.82 0.21 -0.02 0.00 -1.02 -1.99 105.19 106.48 3m82 n GLY 307 Ca 0.14 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 0.84 0.00 -0.59 1.61 0.02 -1.95 -2.34 113.55 111.15 3m82 h SER 308 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 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 0.29 0.39 -0.26 -1.14 0.00 0.00 176.83 176.11 3m82 h PHE 309 N 0.00 0.73 -0.21 3.45 -1.00 -1.83 -2.74 116.94 115.34 3m82 h PHE 309 Ca -0.00 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 3m82 h PHE 309 Cb 0.71 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 3m82 h PHE 309 CO 0.00 0.46 -0.26 0.37 -1.61 0.00 0.00 178.31 177.27 3m82 h GLN 310 N 0.79 0.39 -0.66 1.51 5.75 -0.89 -2.52 115.11 119.48 3m82 h GLN 310 Ca 0.22 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 3m82 h GLN 310 Cb -0.08 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 3m82 h GLN 310 CO -0.05 0.62 0.38 0.00 -2.65 0.00 0.00 178.83 177.13 3m82 h ALA 311 N 1.38 0.88 -0.42 3.38 0.00 -1.33 -0.93 119.26 122.22 3m82 h ALA 311 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m82 h ALA 311 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3m82 h ALA 311 CO 0.05 0.08 0.27 0.28 0.00 0.00 0.00 179.25 179.93 3m82 h VAL 312 N 0.72 1.11 -0.99 0.00 2.07 -1.36 -2.39 116.25 115.40 3m82 h VAL 312 Ca 0.29 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.64 3m82 h VAL 312 Cb 0.13 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3m82 h VAL 312 CO -0.16 0.11 0.64 -0.33 0.02 0.00 0.00 177.57 177.86 3m82 h GLU 313 N 0.56 1.15 -0.23 1.57 4.39 -0.99 -2.38 114.58 118.64 3m82 h GLU 313 Ca 0.15 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 3m82 h GLU 313 Cb -0.05 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.33 3m82 h GLU 313 CO -0.03 0.76 -0.06 1.96 -1.16 0.00 0.00 179.01 180.48 3m82 h GLN 314 N 1.19 0.45 -0.67 2.33 4.20 -0.92 0.14 115.11 121.83 3m82 h GLN 314 Ca 0.42 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 3m82 h GLN 314 Cb 0.12 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 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 0.18 1.26 -0.57 -0.54 2.07 -1.34 -1.64 116.25 115.67 3m82 h VAL 315 Ca 0.06 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3m82 h VAL 315 Cb 0.52 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3m82 h VAL 315 CO 0.02 0.35 0.25 0.11 0.02 0.00 0.00 177.57 178.33 3m82 h LYS 316 N 0.99 0.84 -0.31 1.57 1.57 -1.42 -2.23 116.57 117.58 3m82 h LYS 316 Ca 0.21 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3m82 h LYS 316 Cb 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3m82 h LYS 316 CO -0.00 0.71 0.17 0.35 -0.57 0.00 0.00 179.45 180.10 3m82 h PHE 317 N 0.78 0.42 -0.29 -1.35 3.57 -0.76 -2.64 116.94 116.68 3m82 h PHE 317 Ca 0.19 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 3m82 h PHE 317 Cb 0.16 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 3m82 h PHE 317 CO 0.00 0.34 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.09 3m82 h LEU 318 N 0.38 0.74 -0.42 0.59 3.38 -1.33 -1.44 115.31 117.22 3m82 h LEU 318 Ca 0.11 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.69 3m82 h LEU 318 Cb 0.06 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3m82 h LEU 318 CO -0.02 1.05 0.06 0.50 0.09 0.00 0.00 178.44 180.12 3m82 h LYS 319 N 0.44 0.17 -0.37 1.13 3.64 -1.42 -1.21 116.57 118.96 3m82 h LYS 319 Ca 0.05 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3m82 h LYS 319 Cb 0.83 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3m82 h LYS 319 CO 0.07 0.12 0.07 -0.22 -2.27 0.00 0.00 179.45 177.21 3m82 h LYS 320 N 0.18 0.61 -0.53 1.90 3.64 -1.48 -2.85 116.57 118.04 3m82 h LYS 320 Ca 0.21 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3m82 h LYS 320 Cb 0.27 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3m82 h LYS 320 CO -0.29 0.67 0.30 1.25 -2.27 0.00 0.00 179.45 179.11 3m82 h LEU 321 N 0.45 0.47 -0.62 5.20 5.85 -0.92 -3.00 115.31 122.75 3m82 h LEU 321 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3m82 h LEU 321 Cb 0.35 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3m82 h LEU 321 CO 0.01 0.33 -0.05 0.49 -0.34 0.00 0.00 178.44 178.88 3m82 n PHE 322 N -4.81 0.00 1.95 1.25 3.72 -0.49 -5.09 117.46 113.99 3m82 n PHE 322 Ca 0.04 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.60 3m82 n PHE 322 Cb 0.10 -0.04 0.91 0.00 -0.94 0.00 0.00 39.48 39.50 3m82 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10