#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m81 n PHE 4 N 0.00 0.00 -3.26 1.38 -1.74 -1.26 -5.00 117.46 107.58 3m81 n PHE 4 Ca 0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.78 3m81 n PHE 4 Cb 0.00 -0.04 0.02 0.00 1.52 0.00 0.00 39.48 40.99 3m81 n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3m81 n ASP 5 N -1.53 1.40 -4.55 5.98 -0.08 -1.26 -5.05 116.55 111.45 3m81 n ASP 5 Ca 0.04 -1.88 -0.44 0.00 -1.51 0.00 0.00 54.79 51.01 3m81 n ASP 5 Cb 0.34 -0.15 -0.01 0.00 2.34 0.00 0.00 41.12 43.64 3m81 n ASP 5 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3m81 n LEU 6 N 0.00 1.35 -4.64 -2.67 4.77 -1.26 -4.93 117.00 109.62 3m81 n LEU 6 Ca 0.05 1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 56.79 3m81 n LEU 6 Cb 0.32 -1.24 0.11 0.00 -2.33 0.00 0.00 43.42 40.28 3m81 n LEU 6 CO 0.20 -1.81 0.61 -0.81 -1.33 0.00 0.00 177.39 174.25 3m81 n PRO 7 N 0.62 0.30 -0.36 3.23 -0.04 -1.26 -4.66 135.00 132.83 3m81 n PRO 7 Ca 0.11 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.75 3m81 n PRO 7 Cb 0.34 -2.30 0.16 0.00 -0.04 0.00 0.00 33.50 31.66 3m81 n PRO 7 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3m81 h LEU 8 N -0.66 1.03 -1.06 1.53 5.85 -1.99 -0.66 115.31 119.36 3m81 h LEU 8 Ca -0.47 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.29 3m81 h LEU 8 Cb 1.31 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3m81 h LEU 8 CO 0.46 0.67 0.63 -0.33 -0.34 0.00 0.00 178.44 179.53 3m81 h GLU 9 N 1.17 1.20 -0.09 1.25 3.07 -2.00 -0.28 114.58 118.89 3m81 h GLU 9 Ca 0.42 -0.07 -0.24 0.00 -0.50 0.00 0.00 59.36 58.97 3m81 h GLU 9 Cb 0.13 -0.27 0.01 0.00 -0.84 0.00 0.00 28.75 27.78 3m81 h GLU 9 CO -0.16 0.79 -0.87 0.93 -1.40 0.00 0.00 179.01 178.30 3m81 h GLU 10 N 1.23 0.73 -0.75 2.33 5.08 -1.63 -3.23 114.58 118.35 3m81 h GLU 10 Ca 0.38 -0.66 0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3m81 h GLU 10 Cb -0.02 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 3m81 h GLU 10 CO -0.11 1.26 0.38 -0.07 -1.00 0.00 0.00 179.01 179.47 3m81 h LEU 11 N 0.47 0.49 -2.28 1.33 3.38 -0.55 -0.96 115.31 117.18 3m81 h LEU 11 Ca -0.08 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3m81 h LEU 11 Cb 1.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3m81 h LEU 11 CO 0.17 0.26 0.00 0.11 0.09 0.00 0.00 178.44 179.08 3m81 h LYS 12 N 0.62 0.00 -0.01 1.13 1.57 -1.08 -2.13 116.57 116.67 3m81 h LYS 12 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3m81 h LYS 12 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3m81 h LYS 12 CO -0.29 0.00 -0.03 1.63 -0.57 0.00 0.00 179.45 180.19 3m81 n LYS 13 N -2.85 0.60 -2.09 3.15 5.02 -0.49 -5.01 118.16 116.49 3m81 n LYS 13 Ca -0.02 -0.99 -0.43 0.00 -2.02 0.00 0.00 58.31 54.86 3m81 n LYS 13 Cb 0.11 -1.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3m81 n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3m81 s TYR 14 N -0.86 2.04 -0.45 2.13 5.04 -0.49 -4.91 117.35 119.85 3m81 s TYR 14 Ca 0.11 0.55 0.06 0.00 -2.44 0.00 0.00 57.07 55.34 3m81 s TYR 14 Cb 0.08 -4.03 0.21 0.00 0.35 0.00 0.00 41.96 38.57 3m81 s TYR 14 CO 0.14 -2.95 0.46 0.54 -1.34 0.00 0.00 175.55 172.40 3m81 n ARG 15 N 7.84 0.75 -1.20 4.97 1.74 -1.26 -4.45 116.66 125.06 3m81 n ARG 15 Ca 0.20 -3.45 -0.33 0.00 -0.77 0.00 0.00 57.85 53.49 3m81 n ARG 15 Cb 0.46 -1.61 0.11 0.00 -1.02 0.00 0.00 32.46 30.40 3m81 n ARG 15 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3m81 s PRO 16 N -0.79 1.82 0.14 5.56 0.04 -1.26 -4.89 135.00 135.62 3m81 s PRO 16 Ca 0.34 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 62.70 3m81 s PRO 16 Cb 0.09 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.73 3m81 s PRO 16 CO -0.15 -2.05 1.57 -2.00 0.04 0.00 0.00 177.00 174.42 3m81 s GLU 17 N -4.23 4.22 0.22 4.56 2.12 -1.26 -4.96 118.70 119.38 3m81 s GLU 17 Ca 0.71 2.34 -0.25 0.00 0.36 0.00 0.00 54.97 58.13 3m81 s GLU 17 Cb -0.26 -3.24 -0.09 0.00 0.26 0.00 0.00 34.13 30.80 3m81 s GLU 17 CO 0.50 -0.62 0.82 1.03 -0.54 0.00 0.00 175.26 176.45 3m81 s ARG 18 N 1.43 4.55 -0.19 4.30 0.52 -1.26 -5.06 118.95 123.23 3m81 s ARG 18 Ca 0.70 1.18 -0.01 0.00 -0.52 0.00 0.00 55.73 57.08 3m81 s ARG 18 Cb -0.43 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 31.96 3m81 s ARG 18 CO 0.31 0.47 -0.12 -0.47 0.02 0.00 0.00 175.30 175.51 3m81 s TYR 19 N -1.33 2.85 0.05 -0.53 5.04 -1.26 -5.10 117.35 117.07 3m81 s TYR 19 Ca 0.41 -1.15 -0.13 0.00 -2.44 0.00 0.00 57.07 53.76 3m81 s TYR 19 Cb -0.21 -1.98 0.02 0.00 0.35 0.00 0.00 41.96 40.13 3m81 s TYR 19 CO 0.25 -0.59 0.28 -1.83 -1.34 0.00 0.00 175.55 172.33 3m81 s GLU 20 N 1.19 0.79 0.61 4.97 -1.05 -1.26 -4.83 118.70 119.12 3m81 s GLU 20 Ca 0.02 -0.55 -0.13 0.00 -0.15 0.00 0.00 54.97 54.15 3m81 s GLU 20 Cb -0.14 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 3m81 s GLU 20 CO -0.05 -0.25 1.03 -1.21 0.95 0.00 0.00 175.26 175.73 3m81 s GLU 21 N -2.63 3.45 0.48 -4.83 0.41 -1.26 -4.97 118.70 109.36 3m81 s GLU 21 Ca -0.04 0.96 0.23 0.00 -0.41 0.00 0.00 54.97 55.71 3m81 s GLU 21 Cb -0.01 -2.06 1.22 0.00 -1.78 0.00 0.00 34.13 31.50 3m81 s GLU 21 CO -0.04 -0.68 1.99 0.87 -0.49 0.00 0.00 175.26 176.91 3m81 h LYS 22 N 0.07 0.00 -0.77 1.61 1.57 -2.04 -2.52 116.57 114.49 3m81 h LYS 22 Ca -0.45 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 3m81 h LYS 22 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 3m81 h LYS 22 CO 0.59 0.18 0.04 -0.40 -0.57 0.00 0.00 179.45 179.30 3m81 n ASP 23 N -3.75 3.86 -0.02 0.86 5.75 -1.26 -4.58 116.55 117.41 3m81 n ASP 23 Ca -0.02 -2.61 -0.11 0.00 -0.01 0.00 0.00 54.79 52.04 3m81 n ASP 23 Cb 0.29 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 39.70 3m81 n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3m81 h PHE 24 N 2.26 -1.12 -0.77 2.11 3.04 -1.84 -0.18 116.94 120.44 3m81 h PHE 24 Ca 0.04 0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.99 3m81 h PHE 24 Cb 1.49 0.52 -0.03 0.00 2.56 0.00 0.00 35.95 40.48 3m81 h PHE 24 CO 0.71 -0.45 0.27 -0.44 -2.02 0.00 0.00 178.31 176.38 3m81 h ASP 25 N -0.44 1.08 -0.68 0.41 3.32 -1.87 -2.64 116.42 115.60 3m81 h ASP 25 Ca 0.09 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 3m81 h ASP 25 Cb 0.60 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3m81 h ASP 25 CO -0.41 0.98 0.12 -0.33 -1.72 0.00 0.00 179.24 177.88 3m81 h GLU 26 N 1.13 1.13 -0.41 3.56 3.07 -1.77 0.15 114.58 121.43 3m81 h GLU 26 Ca 0.25 -0.30 0.05 0.00 -0.50 0.00 0.00 59.36 58.87 3m81 h GLU 26 Cb 0.26 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.99 3m81 h GLU 26 CO -0.01 1.02 0.13 0.35 -1.40 0.00 0.00 179.01 179.09 3m81 h PHE 27 N 1.06 0.22 -0.21 4.33 3.57 -0.87 0.17 116.94 125.20 3m81 h PHE 27 Ca 0.21 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.52 3m81 h PHE 27 Cb 0.43 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.14 3m81 h PHE 27 CO 0.03 0.07 -0.68 -1.49 -2.23 0.00 0.00 178.31 174.01 3m81 h TRP 28 N 0.28 1.09 -0.32 0.41 4.06 -1.06 -1.36 115.95 119.04 3m81 h TRP 28 Ca 0.19 -0.44 0.04 0.00 2.06 0.00 0.00 58.89 60.74 3m81 h TRP 28 Cb 0.20 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 28.14 3m81 h TRP 28 CO -0.17 1.28 0.09 0.93 -3.56 0.00 0.00 178.44 177.01 3m81 h GLU 29 N 0.60 0.21 -0.62 0.49 5.08 -0.48 -1.30 114.58 118.56 3m81 h GLU 29 Ca -0.02 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3m81 h GLU 29 Cb 1.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3m81 h GLU 29 CO 0.14 0.14 0.20 0.93 -1.00 0.00 0.00 179.01 179.42 3m81 h GLU 30 N 0.22 0.96 0.06 2.33 5.08 -0.65 -0.67 114.58 121.91 3m81 h GLU 30 Ca 0.15 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3m81 h GLU 30 Cb 0.13 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3m81 h GLU 30 CO -0.17 0.85 -0.05 1.15 -1.00 0.00 0.00 179.01 179.79 3m81 h THR 31 N 0.89 0.89 -0.31 1.13 2.02 -0.87 -0.39 112.91 116.27 3m81 h THR 31 Ca 0.20 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.33 3m81 h THR 31 Cb 0.28 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3m81 h THR 31 CO -0.01 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.82 3m81 h LEU 32 N -0.11 0.53 -0.34 2.58 3.38 -1.20 -2.49 115.31 117.66 3m81 h LEU 32 Ca -0.00 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.72 3m81 h LEU 32 Cb 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3m81 h LEU 32 CO -0.01 0.71 0.07 0.00 0.09 0.00 0.00 178.44 179.30 3m81 h ALA 33 N 0.85 0.37 -0.98 1.53 0.00 -0.98 0.63 119.26 120.67 3m81 h ALA 33 Ca 0.09 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3m81 h ALA 33 Cb 0.43 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3m81 h ALA 33 CO 0.01 -0.33 0.64 0.93 0.00 0.00 0.00 179.25 180.51 3m81 h GLU 34 N 0.19 1.21 0.00 0.00 5.08 -1.00 -2.47 114.58 117.59 3m81 h GLU 34 Ca 0.16 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 3m81 h GLU 34 Cb 0.18 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3m81 h GLU 34 CO -0.21 0.80 -0.66 0.77 -1.00 0.00 0.00 179.01 178.71 3m81 h SER 35 N 1.24 0.00 0.84 1.42 0.02 -0.94 -3.17 113.55 112.96 3m81 h SER 35 Ca 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3m81 h SER 35 Cb -0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3m81 h SER 35 CO -0.12 0.66 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.90 3m81 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 -0.42 -2.59 114.58 120.09 3m81 h GLU 36 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m81 h GLU 36 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3m81 h GLU 36 CO 0.09 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.97 3m81 h LYS 37 N 0.00 0.00 -5.93 2.33 1.57 -1.49 -3.42 116.57 109.64 3m81 h LYS 37 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 3m81 h LYS 37 Cb 0.42 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 3m81 h LYS 37 CO 0.00 0.00 -0.25 -0.06 -0.57 0.00 0.00 179.45 178.57 3m81 s PHE 38 N -3.99 3.70 0.34 -1.35 0.40 -0.98 -5.05 117.98 111.05 3m81 s PHE 38 Ca -0.03 0.90 -0.29 0.00 -0.60 0.00 0.00 56.93 56.92 3m81 s PHE 38 Cb 0.12 -2.23 -0.10 0.00 0.51 0.00 0.00 43.02 41.31 3m81 s PHE 38 CO 0.45 0.65 1.34 -2.14 0.70 0.00 0.00 175.22 176.23 3m81 s PRO 39 N -1.03 4.31 0.27 0.24 0.02 -1.26 -4.91 135.00 132.64 3m81 s PRO 39 Ca 0.22 2.28 -0.04 0.00 0.02 0.00 0.00 61.00 63.48 3m81 s PRO 39 Cb -0.16 -3.05 0.32 0.00 0.02 0.00 0.00 34.50 31.63 3m81 s PRO 39 CO 0.11 -0.26 1.92 1.25 -0.33 0.00 0.00 177.00 179.70 3m81 h LEU 40 N 3.36 1.05 -3.17 -5.54 5.85 -1.91 -3.42 115.31 111.53 3m81 h LEU 40 Ca -0.49 -0.05 -0.58 0.00 0.84 0.00 0.00 57.88 57.59 3m81 h LEU 40 Cb 1.23 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 3m81 h LEU 40 CO 0.66 0.80 -0.99 -0.67 -0.34 0.00 0.00 178.44 177.90 3m81 n ASP 41 N -4.37 -2.46 -4.74 1.25 2.03 -1.26 -1.56 116.55 105.44 3m81 n ASP 41 Ca 0.10 -1.25 -0.41 0.00 0.52 0.00 0.00 54.79 53.75 3m81 n ASP 41 Cb 0.05 -1.92 -0.03 0.00 -0.72 0.00 0.00 41.12 38.50 3m81 n ASP 41 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3m81 s PRO 42 N -7.23 4.51 -0.07 -0.67 0.04 -1.26 -4.54 135.00 125.78 3m81 s PRO 42 Ca 0.31 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.25 3m81 s PRO 42 Cb -0.16 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.18 3m81 s PRO 42 CO 0.96 -0.05 -0.09 0.08 0.04 0.00 0.00 177.00 177.95 3m81 s VAL 43 N -0.30 0.94 -0.18 -0.36 1.01 -0.05 -5.01 120.40 116.45 3m81 s VAL 43 Ca 0.51 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3m81 s VAL 43 Cb -0.33 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3m81 s VAL 43 CO 0.38 0.32 -0.19 -0.36 0.00 0.00 0.00 175.10 175.26 3m81 s PHE 44 N 0.97 2.79 -0.21 5.22 0.08 -1.26 -1.98 117.98 123.59 3m81 s PHE 44 Ca -0.09 -1.58 0.01 0.00 0.12 0.00 0.00 56.93 55.39 3m81 s PHE 44 Cb -0.15 -1.93 0.05 0.00 -0.57 0.00 0.00 43.02 40.42 3m81 s PHE 44 CO 0.00 -0.78 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.04 3m81 s GLU 45 N 1.27 1.98 0.22 0.44 2.02 -0.29 -4.95 118.70 119.39 3m81 s GLU 45 Ca 0.04 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 53.85 3m81 s GLU 45 Cb -0.13 -2.46 -0.09 0.00 0.10 0.00 0.00 34.13 31.55 3m81 s GLU 45 CO -0.12 -0.46 1.35 0.50 0.02 0.00 0.00 175.26 176.55 3m81 s ARG 46 N 1.38 4.36 0.11 1.61 6.06 -1.26 -0.48 118.95 130.73 3m81 s ARG 46 Ca -0.02 2.13 0.08 0.00 -2.50 0.00 0.00 55.73 55.42 3m81 s ARG 46 Cb -0.17 -3.17 -0.04 0.00 0.06 0.00 0.00 34.95 31.64 3m81 s ARG 46 CO -0.08 -0.30 -0.16 0.00 -2.50 0.00 0.00 175.30 172.27 3m81 s MET 47 N -0.23 1.91 0.12 5.12 0.00 -0.58 -4.87 119.30 120.76 3m81 s MET 47 Ca 0.57 -1.12 -0.31 0.00 0.00 0.00 0.00 55.69 54.83 3m81 s MET 47 Cb -0.38 -2.18 -0.09 0.00 0.00 0.00 0.00 34.83 32.18 3m81 s MET 47 CO 0.40 0.49 1.59 -2.00 0.00 0.00 0.00 175.02 175.50 3m81 s GLU 48 N -2.13 4.21 0.04 3.16 2.12 -1.26 -4.74 118.70 120.11 3m81 s GLU 48 Ca 0.19 2.32 -0.13 0.00 0.36 0.00 0.00 54.97 57.71 3m81 s GLU 48 Cb -0.11 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 30.93 3m81 s GLU 48 CO 0.11 -0.65 0.28 0.45 -0.54 0.00 0.00 175.26 174.91 3m81 s SER 49 N 1.73 -0.09 0.00 -1.70 0.15 -1.26 -5.01 113.70 107.51 3m81 s SER 49 Ca 0.71 -0.23 0.29 0.00 0.70 0.00 0.00 55.95 57.43 3m81 s SER 49 Cb -0.41 0.34 1.33 0.00 -1.71 0.00 0.00 66.02 65.57 3m81 s SER 49 CO 0.32 -0.60 1.96 1.41 1.20 0.00 0.00 173.24 177.52 3m81 n HIS 50 N 0.60 0.00 -1.82 3.44 8.25 -1.26 -4.88 115.22 119.54 3m81 n HIS 50 Ca -0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 3m81 n HIS 50 Cb 0.59 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 3m81 n HIS 50 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m81 s LEU 51 N -2.81 4.36 -0.10 2.41 1.43 -1.26 -4.94 118.68 117.77 3m81 s LEU 51 Ca 0.20 2.81 0.09 0.00 -1.03 0.00 0.00 54.13 56.21 3m81 s LEU 51 Cb 0.19 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.67 3m81 s LEU 51 CO 0.51 -0.89 0.04 0.29 0.23 0.00 0.00 176.35 176.53 3m81 n LYS 52 N 3.24 2.23 0.00 1.70 4.76 -1.26 -4.63 118.16 124.20 3m81 n LYS 52 Ca 0.12 -0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.67 3m81 n LYS 52 Cb 0.37 -1.27 0.11 0.00 -1.84 0.00 0.00 35.03 32.40 3m81 n LYS 52 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3m81 n THR 53 N -2.37 0.00 -3.88 -0.18 -2.24 -1.26 -4.92 114.28 99.44 3m81 n THR 53 Ca -0.16 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 3m81 n THR 53 Cb 0.82 1.31 -0.14 0.00 -2.10 0.00 0.00 70.33 70.22 3m81 n THR 53 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3m81 s VAL 54 N -2.17 0.01 -0.18 2.28 1.01 -1.26 -1.50 120.40 118.60 3m81 s VAL 54 Ca 0.26 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 3m81 s VAL 54 Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.48 3m81 s VAL 54 CO 0.40 -0.06 0.35 -1.61 0.00 0.00 0.00 175.10 174.18 3m81 s GLU 55 N -0.16 4.22 -0.14 2.72 2.02 0.15 -4.83 118.70 122.69 3m81 s GLU 55 Ca -0.02 0.16 -0.02 0.00 0.02 0.00 0.00 54.97 55.11 3m81 s GLU 55 Cb -0.01 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 3m81 s GLU 55 CO -0.00 0.11 -0.07 0.00 0.02 0.00 0.00 175.26 175.32 3m81 s ALA 56 N 0.86 2.89 -0.05 5.21 0.00 -1.26 -0.65 121.76 128.77 3m81 s ALA 56 Ca 0.18 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.36 3m81 s ALA 56 Cb -0.14 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 3m81 s ALA 56 CO 0.06 0.27 -0.24 0.71 0.00 0.00 0.00 175.76 176.56 3m81 s TYR 57 N 0.21 2.43 -0.06 0.00 1.51 0.06 -1.52 117.35 119.97 3m81 s TYR 57 Ca -0.04 -0.59 -0.30 0.00 -1.01 0.00 0.00 57.07 55.13 3m81 s TYR 57 Cb -0.14 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 3m81 s TYR 57 CO 0.04 -0.13 1.23 0.34 -1.11 0.00 0.00 175.55 175.91 3m81 s ASP 58 N -0.34 7.02 0.01 2.29 2.15 0.37 -1.02 116.67 127.15 3m81 s ASP 58 Ca 0.02 1.83 0.02 0.00 0.43 0.00 0.00 52.55 54.84 3m81 s ASP 58 Cb -0.12 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 3m81 s ASP 58 CO 0.02 -0.62 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.71 3m81 s VAL 59 N 2.39 4.09 -0.05 1.11 1.01 -0.45 -1.14 120.40 127.35 3m81 s VAL 59 Ca 0.56 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 3m81 s VAL 59 Cb -0.25 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.33 3m81 s VAL 59 CO 0.21 0.35 0.13 -0.89 0.00 0.00 0.00 175.10 174.90 3m81 s THR 60 N -1.10 -0.04 0.21 3.92 2.01 -0.84 -1.75 115.64 118.06 3m81 s THR 60 Ca 0.20 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 62.19 3m81 s THR 60 Cb -0.11 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.20 3m81 s THR 60 CO 0.11 0.05 0.46 0.72 -0.69 0.00 0.00 174.62 175.27 3m81 s PHE 61 N 0.83 0.16 -0.26 4.92 -0.71 -0.74 -0.87 117.98 121.31 3m81 s PHE 61 Ca -0.06 -0.52 -0.14 0.00 -1.04 0.00 0.00 56.93 55.17 3m81 s PHE 61 Cb -0.08 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 3m81 s PHE 61 CO -0.04 -0.92 0.31 -1.12 -1.34 0.00 0.00 175.22 172.11 3m81 s SER 62 N -2.95 6.20 0.00 1.98 0.01 -0.60 -0.27 113.70 118.07 3m81 s SER 62 Ca 0.16 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.64 3m81 s SER 62 Cb -0.00 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3m81 s SER 62 CO 0.02 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.18 3m81 n GLY 63 N 4.63 0.85 3.67 3.44 0.00 -0.12 -4.79 105.19 112.87 3m81 n GLY 63 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3m81 n GLY 63 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3m81 n TYR 64 N 0.00 2.53 -3.87 1.61 9.36 -1.26 -3.12 117.16 122.40 3m81 n TYR 64 Ca 0.00 -0.33 -0.29 0.00 3.32 0.00 0.00 57.90 60.60 3m81 n TYR 64 Cb 0.00 -2.79 0.03 0.00 -0.63 0.00 0.00 39.34 35.95 3m81 n TYR 64 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3m81 n ARG 65 N 7.17 -5.55 -0.97 2.98 1.74 -1.26 -1.33 116.66 119.44 3m81 n ARG 65 Ca 0.20 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3m81 n ARG 65 Cb 0.40 -5.46 0.00 0.00 -1.02 0.00 0.00 32.46 26.38 3m81 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m81 n GLY 66 N -1.70 0.30 3.75 -0.13 0.00 -1.18 -4.98 105.19 101.24 3m81 n GLY 66 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3m81 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m81 s GLN 67 N -0.88 4.63 -0.33 1.61 -0.21 -0.44 -4.67 119.66 119.37 3m81 s GLN 67 Ca 0.00 1.74 -0.22 0.00 0.02 0.00 0.00 55.36 56.90 3m81 s GLN 67 Cb 0.00 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.77 3m81 s GLN 67 CO 0.00 0.15 0.73 1.03 -2.12 0.00 0.00 175.29 175.08 3m81 s ARG 68 N -0.85 3.86 -0.11 2.91 1.81 -1.26 -0.94 118.95 124.36 3m81 s ARG 68 Ca 0.47 0.38 -0.03 0.00 -1.72 0.00 0.00 55.73 54.82 3m81 s ARG 68 Cb -0.30 -3.76 -0.03 0.00 -0.45 0.00 0.00 34.95 30.40 3m81 s ARG 68 CO 0.37 -0.70 0.01 0.42 -0.68 0.00 0.00 175.30 174.73 3m81 s ILE 69 N 2.87 4.41 0.48 1.52 -1.09 0.62 -4.85 121.20 125.16 3m81 s ILE 69 Ca 0.29 -0.20 -0.01 0.00 -2.23 0.00 0.00 60.65 58.50 3m81 s ILE 69 Cb -0.14 -2.89 -0.00 0.00 -1.58 0.00 0.00 42.46 37.84 3m81 s ILE 69 CO 0.14 0.57 0.72 -0.54 -1.23 0.00 0.00 174.94 174.59 3m81 s LYS 70 N -0.51 3.07 0.08 2.79 -0.14 -1.26 -1.79 119.74 121.97 3m81 s LYS 70 Ca 0.09 -0.35 -0.13 0.00 -1.36 0.00 0.00 55.97 54.22 3m81 s LYS 70 Cb -0.12 -2.49 0.04 0.00 -1.68 0.00 0.00 37.83 33.58 3m81 s LYS 70 CO 0.02 -0.34 0.61 0.41 -0.76 0.00 0.00 175.35 175.28 3m81 n GLY 71 N -2.18 0.79 3.30 -3.33 0.00 -0.72 -2.02 105.19 101.03 3m81 n GLY 71 Ca 0.02 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 3m81 n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m81 s TRP 72 N -3.52 2.04 -0.16 1.61 0.23 -0.42 -1.35 118.94 117.37 3m81 s TRP 72 Ca 0.14 -0.39 0.01 0.00 -2.03 0.00 0.00 56.10 53.82 3m81 s TRP 72 Cb -0.01 -1.19 0.01 0.00 0.03 0.00 0.00 33.47 32.30 3m81 s TRP 72 CO 0.02 0.14 -0.18 -1.17 0.96 0.00 0.00 176.95 176.73 3m81 s LEU 73 N -1.38 2.32 -0.20 2.99 2.96 -0.19 -0.63 118.68 124.56 3m81 s LEU 73 Ca 0.10 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3m81 s LEU 73 Cb -0.09 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.08 3m81 s LEU 73 CO 0.03 0.06 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.23 3m81 s LEU 74 N 0.95 2.50 -0.22 -0.68 1.43 0.03 -0.76 118.68 121.93 3m81 s LEU 74 Ca -0.03 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 3m81 s LEU 74 Cb -0.15 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3m81 s LEU 74 CO -0.03 -0.01 -0.08 -0.69 0.23 0.00 0.00 176.35 175.77 3m81 s VAL 75 N 1.38 2.97 0.38 -1.59 1.01 0.18 -0.99 120.40 123.74 3m81 s VAL 75 Ca 0.05 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 3m81 s VAL 75 Cb -0.14 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 3m81 s VAL 75 CO -0.08 0.39 1.14 -2.16 0.00 0.00 0.00 175.10 174.39 3m81 s PRO 76 N 1.40 4.16 -0.97 2.72 0.04 -1.26 0.35 135.00 141.43 3m81 s PRO 76 Ca 0.04 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 3m81 s PRO 76 Cb -0.15 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.67 3m81 s PRO 76 CO -0.06 -0.22 1.65 0.15 0.04 0.00 0.00 177.00 178.57 3m81 s LYS 77 N -2.21 3.17 0.13 4.56 1.02 -0.56 -4.84 119.74 121.02 3m81 s LYS 77 Ca 0.55 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.81 3m81 s LYS 77 Cb -0.30 -5.24 -0.04 0.00 -0.52 0.00 0.00 37.83 31.74 3m81 s LYS 77 CO 0.37 -2.68 -0.12 -0.51 -0.92 0.00 0.00 175.35 171.50 3m81 s LEU 78 N 7.03 2.46 0.22 3.17 1.43 -1.26 -5.01 118.68 126.73 3m81 s LEU 78 Ca 0.56 -0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 3m81 s LEU 78 Cb -0.03 -0.43 0.19 0.00 0.03 0.00 0.00 46.19 45.95 3m81 s LEU 78 CO -0.06 -0.23 1.84 -0.33 0.23 0.00 0.00 176.35 177.80 3m81 h GLU 79 N 3.23 1.19 -6.40 1.70 3.07 -2.03 -3.45 114.58 111.89 3m81 h GLU 79 Ca -0.38 -0.14 -0.63 0.00 -0.50 0.00 0.00 59.36 57.71 3m81 h GLU 79 Cb 1.19 -0.23 0.07 0.00 -0.84 0.00 0.00 28.75 28.94 3m81 h GLU 79 CO 0.56 0.87 0.46 0.39 -1.40 0.00 0.00 179.01 179.90 3m81 n GLU 80 N -4.37 1.50 0.10 2.33 1.02 -1.26 -4.89 120.64 115.07 3m81 n GLU 80 Ca 0.09 0.54 -0.04 0.00 -0.02 0.00 0.00 57.16 57.73 3m81 n GLU 80 Cb 0.10 -2.14 0.04 0.00 -0.02 0.00 0.00 31.44 29.42 3m81 n GLU 80 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3m81 h GLU 81 N 4.17 0.00 -5.21 3.49 3.07 -1.95 -3.43 114.58 114.73 3m81 h GLU 81 Ca -0.45 -0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 57.79 3m81 h GLU 81 Cb 1.31 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.90 3m81 h GLU 81 CO 0.76 0.79 -0.86 0.15 -1.40 0.00 0.00 179.01 178.45 3m81 s LYS 82 N -3.21 2.48 0.21 2.33 -0.14 -1.26 -4.50 119.74 115.64 3m81 s LYS 82 Ca -0.00 -0.73 0.11 0.00 -1.36 0.00 0.00 55.97 53.99 3m81 s LYS 82 Cb 0.11 -1.95 -0.04 0.00 -1.68 0.00 0.00 37.83 34.27 3m81 s LYS 82 CO 0.79 0.17 -0.21 -0.51 -0.76 0.00 0.00 175.35 174.83 3m81 s LEU 83 N 0.33 2.48 0.80 3.17 1.43 0.11 -4.81 118.68 122.18 3m81 s LEU 83 Ca -0.14 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 51.93 3m81 s LEU 83 Cb -0.16 -1.04 0.07 0.00 0.03 0.00 0.00 46.19 45.09 3m81 s LEU 83 CO 0.06 0.05 1.12 -2.16 0.23 0.00 0.00 176.35 175.65 3m81 s PRO 84 N -2.95 2.09 -0.06 1.29 0.04 -1.26 -0.44 135.00 133.70 3m81 s PRO 84 Ca 0.22 0.43 -0.04 0.00 0.04 0.00 0.00 61.00 61.64 3m81 s PRO 84 Cb -0.06 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3m81 s PRO 84 CO 0.10 -1.57 0.15 0.00 0.04 0.00 0.00 177.00 175.72 3m81 s VAL 86 N 0.62 3.46 -0.36 0.00 1.01 0.12 -0.51 120.40 124.75 3m81 s VAL 86 Ca -0.05 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 3m81 s VAL 86 Cb -0.06 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3m81 s VAL 86 CO -0.03 0.44 0.58 -0.69 0.00 0.00 0.00 175.10 175.39 3m81 s VAL 87 N 1.26 4.94 -0.21 2.92 1.01 0.64 -0.80 120.40 130.16 3m81 s VAL 87 Ca 0.03 0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 3m81 s VAL 87 Cb -0.14 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3m81 s VAL 87 CO -0.01 -0.29 0.02 -1.58 0.00 0.00 0.00 175.10 173.23 3m81 s GLN 88 N 2.57 3.64 0.19 2.72 2.00 0.20 -0.80 119.66 130.18 3m81 s GLN 88 Ca 0.22 -0.50 0.05 0.00 -2.00 0.00 0.00 55.36 53.12 3m81 s GLN 88 Cb -0.15 -3.14 -0.04 0.00 0.80 0.00 0.00 33.01 30.48 3m81 s GLN 88 CO 0.14 -0.02 0.22 0.71 -0.50 0.00 0.00 175.29 175.84 3m81 s TYR 89 N 1.10 3.27 0.01 1.67 2.02 -0.26 -1.70 117.35 123.47 3m81 s TYR 89 Ca 0.03 0.00 0.05 0.00 -0.37 0.00 0.00 57.07 56.78 3m81 s TYR 89 Cb -0.14 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 3m81 s TYR 89 CO 0.02 0.51 -0.13 0.42 -1.57 0.00 0.00 175.55 174.80 3m81 s ILE 90 N -1.85 3.18 0.92 2.71 1.01 -1.26 -4.47 121.20 121.44 3m81 s ILE 90 Ca 0.33 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3m81 s ILE 90 Cb -0.10 -2.35 0.14 0.00 0.01 0.00 0.00 42.46 40.16 3m81 s ILE 90 CO 0.26 0.39 1.09 -0.83 0.00 0.00 0.00 174.94 175.85 3m81 s GLY 91 N -1.34 1.62 0.24 6.18 0.00 -1.26 -3.33 107.32 109.43 3m81 s GLY 91 Ca 0.15 0.05 -0.31 0.00 0.00 0.00 0.00 44.72 44.61 3m81 s GLY 91 CO 0.06 0.54 1.27 2.98 0.00 0.00 0.00 173.10 177.95 3m81 n TYR 92 N -4.01 1.80 -1.05 1.90 9.36 -1.26 -1.60 117.16 122.30 3m81 n TYR 92 Ca 0.07 0.55 -0.02 0.00 3.32 0.00 0.00 57.90 61.83 3m81 n TYR 92 Cb 0.54 -2.37 -0.01 0.00 -0.63 0.00 0.00 39.34 36.87 3m81 n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3m81 n ASN 93 N 1.85 -4.52 -4.93 2.98 3.02 -1.26 -4.85 115.26 107.55 3m81 n ASN 93 Ca 0.12 0.04 -0.21 0.00 -0.03 0.00 0.00 54.58 54.50 3m81 n ASN 93 Cb 0.30 -2.16 -0.00 0.00 -0.61 0.00 0.00 39.78 37.30 3m81 n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3m81 s GLY 94 N -2.13 2.07 0.00 7.41 0.00 -0.63 -0.66 107.32 113.39 3m81 s GLY 94 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.94 3m81 s GLY 94 CO 0.00 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.01 3m81 n GLY 95 N -1.77 2.57 0.23 0.20 0.00 -0.92 -1.40 105.19 104.10 3m81 n GLY 95 Ca 0.06 -1.18 0.16 0.00 0.00 0.00 0.00 46.02 45.05 3m81 n GLY 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m81 h ARG 96 N 0.00 0.00 0.00 1.61 0.11 -1.81 -3.44 114.38 110.85 3m81 h ARG 96 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3m81 h ARG 96 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3m81 h ARG 96 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 3m81 n GLY 97 N 0.04 3.05 3.76 0.08 0.00 -0.10 -4.63 105.19 107.40 3m81 n GLY 97 Ca 0.01 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 3m81 n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m81 s PHE 98 N 0.00 3.03 0.29 1.61 0.08 -1.26 -4.97 117.98 116.76 3m81 s PHE 98 Ca 0.00 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 56.99 3m81 s PHE 98 Cb 0.00 -1.42 0.62 0.00 -0.57 0.00 0.00 43.02 41.65 3m81 s PHE 98 CO 0.00 0.53 1.79 -1.35 -0.10 0.00 0.00 175.22 176.09 3m81 h PRO 99 N 2.18 0.77 0.00 0.24 0.11 -2.00 -1.32 132.00 131.99 3m81 h PRO 99 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m81 h PRO 99 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3m81 h PRO 99 CO 0.61 0.51 0.00 -2.39 -0.21 0.00 0.00 178.00 176.52 3m81 n HIS 100 N -4.75 0.00 1.25 0.65 1.44 -1.26 -2.06 115.22 110.49 3m81 n HIS 100 Ca 0.20 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.04 3m81 n HIS 100 Cb 0.47 -0.17 0.65 0.00 0.12 0.00 0.00 29.99 31.07 3m81 n HIS 100 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3m81 n ASP 101 N -1.17 0.00 -2.60 4.39 8.00 -0.50 -4.21 116.55 120.47 3m81 n ASP 101 Ca 0.09 -0.16 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 3m81 n ASP 101 Cb 0.09 -0.25 0.02 0.00 -0.02 0.00 0.00 41.12 40.96 3m81 n ASP 101 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3m81 n TRP 102 N -1.25 1.86 0.76 1.24 7.02 -0.87 -4.89 117.44 121.30 3m81 n TRP 102 Ca 0.13 -2.83 0.13 0.00 -1.02 0.00 0.00 57.50 53.91 3m81 n TRP 102 Cb 0.19 -0.28 0.38 0.00 -2.42 0.00 0.00 31.31 29.18 3m81 n TRP 102 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3m81 n LEU 103 N -0.23 0.53 0.50 -0.99 4.77 -1.26 -4.40 117.00 115.91 3m81 n LEU 103 Ca 0.19 0.39 -0.20 0.00 -0.03 0.00 0.00 56.01 56.35 3m81 n LEU 103 Cb 0.78 -0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 3m81 n LEU 103 CO 0.28 -0.06 0.55 0.15 -1.33 0.00 0.00 177.39 176.98 3m81 h PHE 104 N 0.00 -1.24 -0.37 -1.77 3.57 -1.95 -1.84 116.94 113.34 3m81 h PHE 104 Ca 0.00 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 3m81 h PHE 104 Cb 0.64 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3m81 h PHE 104 CO 0.00 -0.75 0.00 -1.49 -2.23 0.00 0.00 178.31 173.84 3m81 h TRP 105 N -1.29 0.71 -0.87 0.41 4.06 -1.88 -2.21 115.95 114.87 3m81 h TRP 105 Ca -0.13 -0.12 0.10 0.00 2.06 0.00 0.00 58.89 60.80 3m81 h TRP 105 Cb 1.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 29.16 28.90 3m81 h TRP 105 CO -0.03 0.74 0.51 -1.35 -3.56 0.00 0.00 178.44 174.76 3m81 h PRO 106 N 0.47 0.82 0.00 0.49 0.11 -1.53 -0.53 132.00 131.83 3m81 h PRO 106 Ca 0.10 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3m81 h PRO 106 Cb 0.46 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 3m81 h PRO 106 CO 0.02 0.54 -0.14 0.77 -0.21 0.00 0.00 178.00 178.98 3m81 h SER 107 N 0.84 0.00 -0.31 -2.05 0.02 -0.91 0.78 113.55 111.92 3m81 h SER 107 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3m81 h SER 107 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3m81 h SER 107 CO -0.25 0.14 0.00 0.23 -1.14 0.00 0.00 176.83 175.81 3m81 n MET 108 N -3.85 1.82 -0.75 3.45 2.81 -0.35 -4.91 117.12 115.33 3m81 n MET 108 Ca -0.02 -1.16 0.00 0.00 -1.81 0.00 0.00 57.70 54.71 3m81 n MET 108 Cb 0.24 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 3m81 n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m81 n GLY 109 N 0.94 0.55 3.62 3.03 0.00 0.27 -5.06 105.19 108.54 3m81 n GLY 109 Ca 0.11 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 3m81 n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m81 s TYR 110 N -2.00 3.02 0.27 1.61 1.51 -0.35 -4.48 117.35 116.93 3m81 s TYR 110 Ca 0.00 0.09 -0.29 0.00 -1.01 0.00 0.00 57.07 55.85 3m81 s TYR 110 Cb 0.00 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 40.02 3m81 s TYR 110 CO 0.00 0.39 1.21 0.42 -1.11 0.00 0.00 175.55 176.45 3m81 s ILE 111 N -0.84 3.23 -0.15 2.71 1.01 0.09 -2.42 121.20 124.83 3m81 s ILE 111 Ca 0.13 1.16 0.01 0.00 0.00 0.00 0.00 60.65 61.95 3m81 s ILE 111 Cb -0.11 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.64 3m81 s ILE 111 CO 0.02 0.25 -0.16 0.00 0.00 0.00 0.00 174.94 175.05 3m81 s PHE 113 N 1.34 3.21 -0.29 0.00 2.19 0.02 -0.79 117.98 123.67 3m81 s PHE 113 Ca 0.03 -0.86 -0.10 0.00 0.33 0.00 0.00 56.93 56.32 3m81 s PHE 113 Cb -0.13 -2.38 -0.03 0.00 -1.31 0.00 0.00 43.02 39.17 3m81 s PHE 113 CO -0.09 -0.58 0.17 0.08 1.83 0.00 0.00 175.22 176.62 3m81 s VAL 114 N 1.56 4.99 -0.23 3.12 1.01 0.20 0.61 120.40 131.65 3m81 s VAL 114 Ca 0.03 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 3m81 s VAL 114 Cb -0.18 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3m81 s VAL 114 CO 0.06 0.20 0.63 -0.32 0.00 0.00 0.00 175.10 175.67 3m81 s MET 115 N 1.70 4.15 0.50 2.72 1.75 -0.69 -1.30 119.30 128.14 3m81 s MET 115 Ca 0.06 0.58 -0.22 0.00 -1.25 0.00 0.00 55.69 54.86 3m81 s MET 115 Cb -0.16 -3.62 -0.06 0.00 2.84 0.00 0.00 34.83 33.83 3m81 s MET 115 CO 0.09 -0.35 1.24 0.34 -0.65 0.00 0.00 175.02 175.69 3m81 s ASP 116 N 1.36 5.76 -0.32 1.11 2.15 -0.86 -4.46 116.67 121.41 3m81 s ASP 116 Ca 0.27 2.48 -0.10 0.00 0.43 0.00 0.00 52.55 55.63 3m81 s ASP 116 Cb -0.16 -2.61 -0.00 0.00 -0.30 0.00 0.00 42.92 39.85 3m81 s ASP 116 CO 0.09 -1.21 0.16 -0.89 -0.17 0.00 0.00 175.17 173.15 3m81 s THR 117 N -1.46 4.58 -0.30 1.71 2.01 -1.26 -4.79 115.64 116.12 3m81 s THR 117 Ca 0.68 -0.50 -0.41 0.00 0.31 0.00 0.00 61.69 61.76 3m81 s THR 117 Cb -0.33 -3.37 -0.16 0.00 0.01 0.00 0.00 72.50 68.65 3m81 s THR 117 CO 0.39 0.02 1.72 -2.11 -0.69 0.00 0.00 174.62 173.94 3m81 n ARG 118 N 4.98 0.99 -0.86 4.92 1.85 -1.26 -2.05 116.66 125.24 3m81 n ARG 118 Ca -0.13 0.36 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 3m81 n ARG 118 Cb 0.49 -2.02 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 3m81 n ARG 118 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m81 n GLY 119 N 4.13 1.28 0.00 2.89 0.00 0.26 -4.52 105.19 109.22 3m81 n GLY 119 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3m81 n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m81 n GLN 120 N -2.00 0.00 -3.04 1.61 6.02 -0.87 -4.86 117.38 114.24 3m81 n GLN 120 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3m81 n GLN 120 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3m81 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m81 n GLY 121 N 5.00 -0.50 0.00 1.08 0.00 -0.49 -4.72 105.19 105.56 3m81 n GLY 121 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3m81 n GLY 121 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m81 n SER 122 N -2.20 0.25 -0.04 1.61 7.64 -1.18 -1.72 113.62 117.98 3m81 n SER 122 Ca -0.07 -1.11 -0.04 0.00 1.01 0.00 0.00 58.87 58.67 3m81 n SER 122 Cb 0.58 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.76 3m81 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m81 n GLY 123 N -0.05 -0.56 0.00 0.23 0.00 0.17 -4.89 105.19 100.08 3m81 n GLY 123 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3m81 n GLY 123 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3m81 n TRP 124 N -3.39 0.00 -3.69 1.61 4.27 -1.12 -5.03 117.44 110.09 3m81 n TRP 124 Ca -0.06 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.44 3m81 n TRP 124 Cb 0.21 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.07 3m81 n TRP 124 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3m81 s LEU 125 N -1.43 -0.17 0.62 5.67 2.96 -1.26 -5.03 118.68 120.04 3m81 s LEU 125 Ca 0.00 1.04 -0.18 0.00 -0.22 0.00 0.00 54.13 54.77 3m81 s LEU 125 Cb 0.00 1.67 -0.02 0.00 0.50 0.00 0.00 46.19 48.33 3m81 s LEU 125 CO 0.00 -0.19 1.25 -1.59 -1.32 0.00 0.00 176.35 174.50 3m81 s LYS 126 N 0.99 2.77 0.22 1.98 -2.85 -1.26 -2.17 119.74 119.42 3m81 s LYS 126 Ca -0.06 1.95 0.03 0.00 -1.00 0.00 0.00 55.97 56.89 3m81 s LYS 126 Cb -0.06 -1.89 -0.05 0.00 -2.06 0.00 0.00 37.83 33.77 3m81 s LYS 126 CO -0.09 -1.40 -0.00 0.20 0.10 0.00 0.00 175.35 174.16 3m81 s GLY 127 N -1.48 1.49 0.00 0.59 0.00 -0.70 -0.92 107.32 106.30 3m81 s GLY 127 Ca 0.80 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3m81 s GLY 127 CO 0.36 -1.64 0.43 1.22 0.00 0.00 0.00 173.10 173.48 3m81 n ASP 128 N -0.39 0.67 -4.35 1.64 8.00 -1.26 -4.88 116.55 115.98 3m81 n ASP 128 Ca -0.05 -1.19 -0.35 0.00 0.71 0.00 0.00 54.79 53.92 3m81 n ASP 128 Cb 0.64 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.60 3m81 n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3m81 s THR 129 N -0.19 3.46 0.70 -3.53 2.01 -1.26 -4.92 115.64 111.91 3m81 s THR 129 Ca 0.00 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 3m81 s THR 129 Cb 0.00 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.97 3m81 s THR 129 CO 0.00 0.44 1.07 -2.16 -0.69 0.00 0.00 174.62 173.28 3m81 s PRO 130 N 1.18 2.88 0.44 4.92 0.04 -1.26 0.90 135.00 144.09 3m81 s PRO 130 Ca 0.02 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 61.71 3m81 s PRO 130 Cb -0.14 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 3m81 s PRO 130 CO -0.01 -1.08 0.75 0.34 0.04 0.00 0.00 177.00 177.04 3m81 s ASP 131 N -4.05 6.35 -0.21 6.66 2.15 -1.26 -3.93 116.67 122.38 3m81 s ASP 131 Ca 0.58 0.95 -0.02 0.00 0.43 0.00 0.00 52.55 54.49 3m81 s ASP 131 Cb -0.13 -2.25 0.07 0.00 -0.30 0.00 0.00 42.92 40.31 3m81 s ASP 131 CO 0.54 -0.48 0.04 -0.31 -0.17 0.00 0.00 175.17 174.78 3m81 s TYR 132 N -2.56 1.21 0.66 -5.34 1.51 -1.26 -4.94 117.35 106.64 3m81 s TYR 132 Ca 0.48 -1.05 -0.10 0.00 -1.01 0.00 0.00 57.07 55.39 3m81 s TYR 132 Cb -0.10 -1.16 -0.00 0.00 -0.11 0.00 0.00 41.96 40.59 3m81 s TYR 132 CO 0.39 -0.66 1.04 -1.25 -1.11 0.00 0.00 175.55 173.96 3m81 s PRO 133 N 1.79 3.09 -1.10 -1.71 0.04 -1.26 -4.94 135.00 130.92 3m81 s PRO 133 Ca 0.00 0.47 -0.21 0.00 0.04 0.00 0.00 61.00 61.31 3m81 s PRO 133 Cb -0.17 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3m81 s PRO 133 CO -0.11 -0.84 1.93 0.39 0.04 0.00 0.00 177.00 178.42 3m81 n GLU 134 N -2.86 1.97 0.00 4.56 -0.58 -1.26 -4.87 120.64 117.59 3m81 n GLU 134 Ca 0.06 -2.41 0.00 0.00 -0.42 0.00 0.00 57.16 54.39 3m81 n GLU 134 Cb 0.56 -3.38 0.00 0.00 -0.57 0.00 0.00 31.44 28.06 3m81 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m81 n GLY 135 N 5.12 0.96 3.73 0.62 0.00 -1.26 -4.82 105.19 109.54 3m81 n GLY 135 Ca 0.48 0.53 -0.41 0.00 0.00 0.00 0.00 46.02 46.62 3m81 n GLY 135 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m81 s PRO 136 N 0.00 4.66 -0.65 1.61 0.02 -1.26 -4.98 135.00 134.40 3m81 s PRO 136 Ca 0.00 1.46 -0.18 0.00 0.02 0.00 0.00 61.00 62.31 3m81 s PRO 136 Cb 0.00 -3.39 0.13 0.00 0.02 0.00 0.00 34.50 31.26 3m81 s PRO 136 CO 0.00 0.15 0.72 0.08 -0.33 0.00 0.00 177.00 177.62 3m81 s VAL 137 N 0.19 5.01 0.96 3.83 1.01 -1.26 -5.01 120.40 125.13 3m81 s VAL 137 Ca 0.48 -1.38 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 3m81 s VAL 137 Cb -0.23 -4.49 0.04 0.00 0.00 0.00 0.00 36.38 31.70 3m81 s VAL 137 CO 0.30 -1.10 0.38 0.47 0.00 0.00 0.00 175.10 175.14 3m81 n ASP 138 N 5.79 -2.12 -4.60 3.32 8.00 -1.26 -4.90 116.55 120.78 3m81 n ASP 138 Ca -0.04 0.30 -0.56 0.00 0.71 0.00 0.00 54.79 55.20 3m81 n ASP 138 Cb 0.43 -1.19 -0.07 0.00 -0.02 0.00 0.00 41.12 40.27 3m81 n ASP 138 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3m81 n PRO 139 N -1.72 0.73 -3.93 -0.24 -0.02 -1.26 -4.79 135.00 123.77 3m81 n PRO 139 Ca 0.06 0.27 -0.09 0.00 -2.02 0.00 0.00 63.50 61.71 3m81 n PRO 139 Cb 0.54 -1.86 -0.07 0.00 -0.02 0.00 0.00 33.50 32.09 3m81 n PRO 139 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3m81 s GLN 140 N 1.12 1.11 0.32 -0.52 -2.07 -1.26 -4.88 119.66 113.48 3m81 s GLN 140 Ca 0.91 -1.13 -0.22 0.00 -1.82 0.00 0.00 55.36 53.10 3m81 s GLN 140 Cb -1.11 0.38 -0.10 0.00 -1.09 0.00 0.00 33.01 31.09 3m81 s GLN 140 CO 0.56 -0.40 0.86 -0.47 -1.32 0.00 0.00 175.29 174.52 3m81 s TYR 141 N -3.95 3.55 -0.16 9.60 5.04 -1.26 -4.99 117.35 125.18 3m81 s TYR 141 Ca 0.15 1.57 -0.41 0.00 -2.44 0.00 0.00 57.07 55.93 3m81 s TYR 141 Cb 0.03 -2.78 -0.19 0.00 0.35 0.00 0.00 41.96 39.38 3m81 s TYR 141 CO -0.02 0.15 1.36 -2.30 -1.34 0.00 0.00 175.55 173.40 3m81 n PRO 142 N 0.20 0.37 0.00 4.97 -0.02 -1.26 -4.68 135.00 134.57 3m81 n PRO 142 Ca 0.02 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3m81 n PRO 142 Cb 0.52 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3m81 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m81 n GLY 143 N 2.75 0.38 0.02 -1.23 0.00 -1.26 -4.86 105.19 100.99 3m81 n GLY 143 Ca 0.24 -2.30 0.06 0.00 0.00 0.00 0.00 46.02 44.02 3m81 n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m81 n PHE 144 N 0.11 0.00 0.18 1.61 3.72 -1.26 -4.50 117.46 117.31 3m81 n PHE 144 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3m81 n PHE 144 Cb 0.00 -0.39 0.49 0.00 -0.94 0.00 0.00 39.48 38.65 3m81 n PHE 144 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3m81 h MET 145 N 0.00 0.13 -0.26 -1.08 2.86 -1.89 -2.60 114.93 112.08 3m81 h MET 145 Ca -0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3m81 h MET 145 Cb 0.84 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3m81 h MET 145 CO 0.00 0.21 0.00 0.25 1.06 0.00 0.00 176.91 178.44 3m81 n THR 146 N -4.38 0.71 -2.22 2.22 -2.24 -1.26 -4.86 114.28 102.25 3m81 n THR 146 Ca -0.02 -0.85 -0.42 0.00 -2.27 0.00 0.00 64.05 60.49 3m81 n THR 146 Cb 0.19 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 3m81 n THR 146 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3m81 s ARG 147 N -0.99 3.37 0.00 -0.78 3.52 -0.98 -2.49 118.95 120.60 3m81 s ARG 147 Ca 0.21 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 56.80 3m81 s ARG 147 Cb 0.12 -4.13 0.00 0.00 -1.56 0.00 0.00 34.95 29.38 3m81 s ARG 147 CO 0.16 -1.82 0.00 0.41 -0.81 0.00 0.00 175.30 173.24 3m81 n GLY 148 N 5.27 0.45 0.12 8.12 0.00 -1.26 -1.47 105.19 116.42 3m81 n GLY 148 Ca 0.18 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.58 3m81 n GLY 148 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3m81 n ILE 149 N -2.95 0.85 1.83 -0.61 3.06 -1.04 -2.57 119.36 117.93 3m81 n ILE 149 Ca 0.00 0.25 0.15 0.00 -2.50 0.00 0.00 62.75 60.66 3m81 n ILE 149 Cb 0.00 -1.18 0.89 0.00 0.54 0.00 0.00 39.64 39.89 3m81 n ILE 149 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3m81 n LEU 150 N -2.19 0.00 -3.66 9.51 4.77 -1.26 -4.64 117.00 119.53 3m81 n LEU 150 Ca 0.02 0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 56.01 3m81 n LEU 150 Cb 0.22 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3m81 n LEU 150 CO 0.19 -0.00 0.22 -0.62 -1.33 0.00 0.00 177.39 175.84 3m81 s ASP 151 N -2.14 -0.83 0.54 -1.43 -1.08 -1.06 -4.96 116.67 105.70 3m81 s ASP 151 Ca 0.42 1.35 0.23 0.00 -0.52 0.00 0.00 52.55 54.03 3m81 s ASP 151 Cb 0.21 1.59 1.41 0.00 -1.46 0.00 0.00 42.92 44.67 3m81 s ASP 151 CO 0.39 -0.22 2.07 1.55 0.52 0.00 0.00 175.17 179.47 3m81 h PRO 152 N 7.56 0.00 0.00 4.34 0.13 -1.84 -0.44 132.00 141.76 3m81 h PRO 152 Ca -0.25 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 3m81 h PRO 152 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3m81 h PRO 152 CO 0.15 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 177.71 3m81 h ARG 153 N 0.00 0.00 -0.00 0.86 3.08 -1.96 -2.93 114.38 113.42 3m81 h ARG 153 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3m81 h ARG 153 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3m81 h ARG 153 CO -0.00 0.22 -0.83 0.25 -1.07 0.00 0.00 179.97 178.53 3m81 n THR 154 N -3.86 0.00 -2.24 2.04 -2.24 -0.25 -5.00 114.28 102.73 3m81 n THR 154 Ca -0.02 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.29 3m81 n THR 154 Cb 0.31 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 3m81 n THR 154 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3m81 s TYR 155 N -2.86 3.26 0.25 4.78 5.04 -0.75 -4.34 117.35 122.73 3m81 s TYR 155 Ca 0.11 1.40 -0.03 0.00 -2.44 0.00 0.00 57.07 56.11 3m81 s TYR 155 Cb 0.17 -3.56 0.50 0.00 0.35 0.00 0.00 41.96 39.42 3m81 s TYR 155 CO 0.78 -1.57 1.72 -0.92 -1.34 0.00 0.00 175.55 174.22 3m81 h TYR 156 N 4.35 0.51 0.00 4.97 3.20 -1.54 -1.07 116.97 127.39 3m81 h TYR 156 Ca -0.47 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3m81 h TYR 156 Cb 1.22 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.38 3m81 h TYR 156 CO 0.59 0.03 0.00 0.66 -1.64 0.00 0.00 178.16 177.80 3m81 n TYR 157 N -5.03 0.81 -0.25 -3.82 4.01 -1.26 -2.02 117.16 109.60 3m81 n TYR 157 Ca 0.16 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 3m81 n TYR 157 Cb 0.46 -0.95 0.12 0.00 -0.31 0.00 0.00 39.34 38.67 3m81 n TYR 157 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3m81 h ARG 158 N 0.00 0.65 -0.06 -0.72 2.43 -1.49 -0.29 114.38 114.90 3m81 h ARG 158 Ca 0.00 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 3m81 h ARG 158 Cb 0.53 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3m81 h ARG 158 CO 0.00 0.43 -0.46 0.00 -1.51 0.00 0.00 179.97 178.43 3m81 h ARG 159 N 0.67 0.42 -0.19 0.20 3.08 -1.51 -2.58 114.38 114.47 3m81 h ARG 159 Ca 0.33 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3m81 h ARG 159 Cb 0.28 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3m81 h ARG 159 CO -0.22 1.02 0.09 0.28 -1.07 0.00 0.00 179.97 180.06 3m81 h VAL 160 N -0.06 0.99 -0.68 2.04 2.07 -1.44 -0.34 116.25 118.83 3m81 h VAL 160 Ca -0.04 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3m81 h VAL 160 Cb 1.13 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3m81 h VAL 160 CO 0.09 0.04 0.27 -0.26 0.02 0.00 0.00 177.57 177.73 3m81 h PHE 161 N 0.20 1.00 -0.18 1.57 0.04 -1.09 -0.75 116.94 117.73 3m81 h PHE 161 Ca 0.08 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3m81 h PHE 161 Cb 0.02 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 3m81 h PHE 161 CO -0.10 0.77 -0.00 1.15 -0.60 0.00 0.00 178.31 179.53 3m81 h THR 162 N 0.98 1.26 -0.78 -1.55 2.02 -1.19 -1.35 112.91 112.30 3m81 h THR 162 Ca 0.23 -0.87 0.17 0.00 0.77 0.00 0.00 66.41 66.71 3m81 h THR 162 Cb 0.18 1.48 -0.11 0.00 -1.74 0.00 0.00 68.15 67.96 3m81 h THR 162 CO -0.02 0.26 0.26 0.44 0.37 0.00 0.00 175.52 176.83 3m81 h ASP 163 N 0.07 0.15 -0.31 4.18 3.32 -0.69 -1.92 116.42 121.22 3m81 h ASP 163 Ca 0.05 0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3m81 h ASP 163 Cb 0.39 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3m81 h ASP 163 CO 0.01 0.00 -0.15 0.00 -1.72 0.00 0.00 179.24 177.38 3m81 h ALA 164 N 1.62 0.97 -0.41 3.45 0.00 -0.46 0.63 119.26 125.06 3m81 h ALA 164 Ca 0.45 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3m81 h ALA 164 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3m81 h ALA 164 CO -0.49 0.61 -0.21 0.28 0.00 0.00 0.00 179.25 179.43 3m81 h VAL 165 N 0.68 1.27 0.00 0.00 2.07 -0.71 -2.81 116.25 116.75 3m81 h VAL 165 Ca 0.11 -1.33 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 3m81 h VAL 165 Cb 0.64 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3m81 h VAL 165 CO 0.04 0.45 -0.52 0.03 0.02 0.00 0.00 177.57 177.59 3m81 h ARG 166 N 0.70 0.00 -0.57 1.57 2.47 -0.97 -2.87 114.38 114.71 3m81 h ARG 166 Ca 0.10 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3m81 h ARG 166 Cb 0.73 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 3m81 h ARG 166 CO 0.06 0.52 0.29 0.00 0.56 0.00 0.00 179.97 181.39 3m81 h ALA 167 N 1.48 1.43 -0.52 0.04 0.00 -0.61 -0.03 119.26 121.05 3m81 h ALA 167 Ca -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3m81 h ALA 167 Cb 1.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3m81 h ALA 167 CO 0.07 0.46 0.04 0.28 0.00 0.00 0.00 179.25 180.09 3m81 h VAL 168 N 0.80 1.26 -0.80 0.00 2.07 -1.44 0.07 116.25 118.21 3m81 h VAL 168 Ca 0.20 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 3m81 h VAL 168 Cb 0.06 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3m81 h VAL 168 CO -0.03 0.37 0.32 -0.33 0.02 0.00 0.00 177.57 177.91 3m81 h GLU 169 N 0.76 1.19 -0.14 1.57 4.39 -1.43 -0.03 114.58 120.89 3m81 h GLU 169 Ca 0.15 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3m81 h GLU 169 Cb 0.47 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3m81 h GLU 169 CO 0.02 0.96 0.01 0.00 -1.16 0.00 0.00 179.01 178.84 3m81 h ALA 170 N 1.18 0.18 -0.50 3.43 0.00 -0.76 -1.70 119.26 121.10 3m81 h ALA 170 Ca 0.27 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3m81 h ALA 170 Cb 0.22 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 3m81 h ALA 170 CO -0.02 -0.13 0.02 0.00 0.00 0.00 0.00 179.25 179.11 3m81 h ALA 171 N 0.77 0.49 0.00 0.00 0.00 -0.68 -1.79 119.26 118.06 3m81 h ALA 171 Ca 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3m81 h ALA 171 Cb 0.34 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3m81 h ALA 171 CO 0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 179.25 178.85 3m81 h ALA 172 N 1.44 1.62 0.00 0.00 0.00 -0.68 -1.43 119.26 120.21 3m81 h ALA 172 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3m81 h ALA 172 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3m81 h ALA 172 CO -0.41 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 177.75 3m81 n SER 173 N -4.03 0.56 -4.71 0.00 3.41 -0.67 -4.76 113.62 103.42 3m81 n SER 173 Ca -0.03 0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 3m81 n SER 173 Cb 0.12 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 3m81 n SER 173 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3m81 s PHE 174 N -3.17 3.52 0.24 7.33 5.36 -0.54 -4.95 117.98 125.77 3m81 s PHE 174 Ca 0.08 1.44 -0.06 0.00 -0.96 0.00 0.00 56.93 57.43 3m81 s PHE 174 Cb 0.11 -3.32 0.28 0.00 -0.34 0.00 0.00 43.02 39.76 3m81 s PHE 174 CO 0.46 -0.84 1.88 -1.35 -1.46 0.00 0.00 175.22 173.91 3m81 h PRO 175 N 6.69 1.07 -0.38 10.12 0.11 -1.89 -1.88 132.00 145.84 3m81 h PRO 175 Ca -0.42 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3m81 h PRO 175 Cb 1.22 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3m81 h PRO 175 CO 0.79 0.71 0.00 0.00 -0.21 0.00 0.00 178.00 179.28 3m81 n GLN 176 N -4.54 1.69 -2.80 1.05 10.64 -1.26 -4.81 117.38 117.35 3m81 n GLN 176 Ca 0.11 -0.86 -0.42 0.00 -1.83 0.00 0.00 57.00 54.00 3m81 n GLN 176 Cb 0.10 -1.31 -0.03 0.00 -0.86 0.00 0.00 30.24 28.14 3m81 n GLN 176 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3m81 s VAL 177 N -1.66 4.85 -0.52 -0.39 1.01 -0.71 0.04 120.40 123.03 3m81 s VAL 177 Ca 0.16 1.83 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 3m81 s VAL 177 Cb 0.09 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.27 3m81 s VAL 177 CO 0.09 0.04 1.24 -0.62 0.00 0.00 0.00 175.10 175.85 3m81 s ASP 178 N 1.09 6.45 0.59 3.32 -1.08 0.42 -4.81 116.67 122.65 3m81 s ASP 178 Ca 0.44 0.37 0.39 0.00 -0.52 0.00 0.00 52.55 53.23 3m81 s ASP 178 Cb -0.18 -2.55 1.99 0.00 -1.46 0.00 0.00 42.92 40.72 3m81 s ASP 178 CO 0.16 -1.43 2.19 1.56 0.52 0.00 0.00 175.17 178.17 3m81 h GLN 179 N 9.86 0.00 0.00 4.34 4.20 -1.92 -0.91 115.11 130.67 3m81 h GLN 179 Ca -0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3m81 h GLN 179 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3m81 h GLN 179 CO 1.15 0.00 -0.01 0.39 -0.67 0.00 0.00 178.83 179.69 3m81 n GLU 180 N -2.99 0.01 -2.81 1.46 -0.58 -1.26 -4.12 120.64 110.34 3m81 n GLU 180 Ca -0.02 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.55 3m81 n GLU 180 Cb 0.14 -1.51 -0.00 0.00 -0.57 0.00 0.00 31.44 29.50 3m81 n GLU 180 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3m81 n ARG 181 N -1.52 1.90 -3.56 3.49 1.74 -0.35 -4.90 116.66 113.46 3m81 n ARG 181 Ca 0.07 -3.80 -0.37 0.00 -0.77 0.00 0.00 57.85 52.97 3m81 n ARG 181 Cb 0.34 -1.74 -0.09 0.00 -1.02 0.00 0.00 32.46 29.95 3m81 n ARG 181 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3m81 s ILE 182 N -3.64 5.30 -0.08 0.55 1.01 -1.25 -1.15 121.20 121.94 3m81 s ILE 182 Ca 0.38 0.33 0.01 0.00 0.00 0.00 0.00 60.65 61.37 3m81 s ILE 182 Cb 0.39 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 3m81 s ILE 182 CO -0.07 0.28 -0.11 -0.69 0.00 0.00 0.00 174.94 174.36 3m81 s VAL 183 N 1.38 3.34 -0.13 2.92 1.01 0.34 -0.59 120.40 128.66 3m81 s VAL 183 Ca 0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3m81 s VAL 183 Cb -0.15 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3m81 s VAL 183 CO 0.07 0.57 0.03 0.27 0.00 0.00 0.00 175.10 176.04 3m81 s ILE 184 N -0.44 4.51 -0.07 2.22 -4.36 -0.26 -0.26 121.20 122.54 3m81 s ILE 184 Ca 0.06 -0.15 -0.07 0.00 -0.26 0.00 0.00 60.65 60.22 3m81 s ILE 184 Cb -0.12 -2.96 0.02 0.00 1.25 0.00 0.00 42.46 40.64 3m81 s ILE 184 CO 0.02 0.54 0.20 0.00 0.24 0.00 0.00 174.94 175.94 3m81 s ALA 185 N -0.29 -0.50 -0.16 2.27 0.00 0.02 -0.72 121.76 122.38 3m81 s ALA 185 Ca 0.07 0.53 -0.31 0.00 0.00 0.00 0.00 51.96 52.25 3m81 s ALA 185 Cb -0.12 -0.30 0.14 0.00 0.00 0.00 0.00 23.12 22.83 3m81 s ALA 185 CO 0.02 -0.10 1.11 0.20 0.00 0.00 0.00 175.76 176.98 3m81 s GLY 186 N 0.01 -0.26 0.11 0.00 0.00 -0.71 -1.11 107.32 105.37 3m81 s GLY 186 Ca -0.01 1.82 0.09 0.00 0.00 0.00 0.00 44.72 46.62 3m81 s GLY 186 CO 0.00 0.74 -0.20 -0.32 0.00 0.00 0.00 173.10 173.33 3m81 s GLY 187 N -1.72 1.65 0.00 0.20 0.00 -1.26 -1.29 107.32 104.90 3m81 s GLY 187 Ca 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.42 3m81 s GLY 187 CO -0.04 -1.31 0.00 1.44 0.00 0.00 0.00 173.10 173.19 3m81 n SER 188 N 0.94 0.00 -0.34 1.64 7.64 -0.45 -0.69 113.62 122.36 3m81 n SER 188 Ca -0.16 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.87 3m81 n SER 188 Cb 0.53 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 64.07 3m81 n SER 188 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3m81 h GLN 189 N 0.00 0.60 -0.87 1.43 4.15 -1.85 0.31 115.11 118.87 3m81 h GLN 189 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3m81 h GLN 189 Cb 0.00 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.51 3m81 h GLN 189 CO 0.00 0.40 0.49 0.78 -1.93 0.00 0.00 178.83 178.57 3m81 h GLY 190 N 0.62 1.29 1.00 2.39 0.00 -0.90 -0.45 103.07 107.02 3m81 h GLY 190 Ca 0.60 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3m81 h GLY 190 CO -0.45 0.55 0.39 -1.33 0.00 0.00 0.00 176.54 175.70 3m81 h GLY 191 N 1.23 0.98 1.42 4.60 0.00 -0.22 -0.57 103.07 110.51 3m81 h GLY 191 Ca 0.31 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 3m81 h GLY 191 CO -0.05 0.41 -0.43 -1.33 0.00 0.00 0.00 176.54 175.13 3m81 h GLY 192 N 0.91 0.68 0.97 4.60 0.00 -0.78 -0.58 103.07 108.87 3m81 h GLY 192 Ca 0.24 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3m81 h GLY 192 CO -0.04 0.64 0.13 -2.22 0.00 0.00 0.00 176.54 175.05 3m81 h ILE 193 N 0.51 1.09 -0.90 2.60 2.04 -0.99 -2.30 117.51 119.56 3m81 h ILE 193 Ca 0.04 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3m81 h ILE 193 Cb 0.96 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3m81 h ILE 193 CO 0.09 0.09 0.53 0.00 0.00 0.00 0.00 178.15 178.85 3m81 h ALA 194 N 1.03 1.15 -0.26 1.87 0.00 -0.78 -0.54 119.26 121.74 3m81 h ALA 194 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3m81 h ALA 194 Cb 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3m81 h ALA 194 CO -0.01 0.63 0.12 1.25 0.00 0.00 0.00 179.25 181.24 3m81 h LEU 195 N 1.25 0.34 -0.49 0.00 5.85 -1.02 0.12 115.31 121.37 3m81 h LEU 195 Ca 0.32 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3m81 h LEU 195 Cb -0.03 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3m81 h LEU 195 CO -0.06 0.37 0.30 0.00 -0.34 0.00 0.00 178.44 178.72 3m81 h ALA 196 N 0.98 0.62 -0.41 1.25 0.00 -0.95 -2.36 119.26 118.39 3m81 h ALA 196 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3m81 h ALA 196 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3m81 h ALA 196 CO -0.01 0.02 0.20 0.28 0.00 0.00 0.00 179.25 179.74 3m81 h VAL 197 N 0.61 1.14 0.00 0.00 2.07 -0.51 -1.68 116.25 117.88 3m81 h VAL 197 Ca 0.19 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3m81 h VAL 197 Cb -0.02 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3m81 h VAL 197 CO -0.07 0.16 0.00 0.77 0.02 0.00 0.00 177.57 178.45 3m81 h SER 198 N 0.57 0.00 0.13 0.57 4.64 -0.22 0.41 113.55 119.65 3m81 h SER 198 Ca 0.14 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.11 3m81 h SER 198 Cb 0.05 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.08 3m81 h SER 198 CO -0.02 0.00 -2.20 0.00 -0.87 0.00 0.00 176.83 173.73 3m81 n ALA 199 N -1.97 1.46 -0.02 5.18 0.00 -0.71 -4.31 120.51 120.14 3m81 n ALA 199 Ca -0.00 -1.12 0.03 0.00 0.00 0.00 0.00 53.44 52.35 3m81 n ALA 199 Cb 0.18 -0.37 -0.14 0.00 0.00 0.00 0.00 19.45 19.11 3m81 n ALA 199 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m81 n LEU 200 N -2.93 0.20 -4.83 0.00 4.77 -0.74 -4.88 117.00 108.58 3m81 n LEU 200 Ca -0.30 0.08 -0.35 0.00 -0.03 0.00 0.00 56.01 55.41 3m81 n LEU 200 Cb 1.11 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 42.29 3m81 n LEU 200 CO 0.41 0.15 0.37 -0.55 -1.33 0.00 0.00 177.39 176.44 3m81 s SER 201 N -5.05 6.94 -0.00 -1.43 0.15 0.10 -4.97 113.70 109.42 3m81 s SER 201 Ca -0.07 1.30 0.21 0.00 0.70 0.00 0.00 55.95 58.08 3m81 s SER 201 Cb 0.11 -2.37 -0.24 0.00 -1.71 0.00 0.00 66.02 61.80 3m81 s SER 201 CO 0.86 0.00 0.82 0.29 1.20 0.00 0.00 173.24 176.42 3m81 n LYS 202 N 0.51 0.22 -0.03 5.44 4.76 -1.26 -4.51 118.16 123.29 3m81 n LYS 202 Ca -0.02 -0.03 0.02 0.00 -2.87 0.00 0.00 58.31 55.41 3m81 n LYS 202 Cb 0.52 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 32.09 3m81 n LYS 202 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3m81 n LYS 203 N -1.59 0.66 -2.07 1.97 4.76 -1.26 -4.96 118.16 115.67 3m81 n LYS 203 Ca 0.03 -0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 3m81 n LYS 203 Cb 0.35 -1.60 -0.02 0.00 -1.84 0.00 0.00 35.03 31.93 3m81 n LYS 203 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m81 s ALA 204 N -3.04 3.56 -0.03 7.82 0.00 -1.26 -4.78 121.76 124.03 3m81 s ALA 204 Ca -0.07 1.29 0.12 0.00 0.00 0.00 0.00 51.96 53.30 3m81 s ALA 204 Cb 0.10 -3.52 -0.19 0.00 0.00 0.00 0.00 23.12 19.52 3m81 s ALA 204 CO 0.86 -0.69 0.24 1.63 0.00 0.00 0.00 175.76 177.79 3m81 n LYS 205 N 1.64 0.62 -3.74 0.00 4.76 0.24 -4.96 118.16 116.72 3m81 n LYS 205 Ca 0.04 -0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.26 3m81 n LYS 205 Cb 0.41 -1.29 -0.07 0.00 -1.84 0.00 0.00 35.03 32.23 3m81 n LYS 205 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m81 s ALA 206 N -2.78 -0.74 -0.10 7.82 0.00 -1.15 -4.22 121.76 120.59 3m81 s ALA 206 Ca -0.05 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3m81 s ALA 206 Cb 0.07 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3m81 s ALA 206 CO 0.51 -0.41 -0.19 -1.17 0.00 0.00 0.00 175.76 174.50 3m81 s LEU 207 N -1.99 1.93 -0.23 0.00 2.96 -0.06 -1.10 118.68 120.18 3m81 s LEU 207 Ca -0.06 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 3m81 s LEU 207 Cb -0.01 -1.23 -0.00 0.00 0.50 0.00 0.00 46.19 45.44 3m81 s LEU 207 CO -0.03 0.09 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.30 3m81 s LEU 208 N 0.63 3.01 -0.32 -0.68 1.43 0.10 -1.01 118.68 121.84 3m81 s LEU 208 Ca -0.13 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 3m81 s LEU 208 Cb -0.16 -1.74 0.11 0.00 0.03 0.00 0.00 46.19 44.42 3m81 s LEU 208 CO 0.04 -0.05 0.15 0.00 0.23 0.00 0.00 176.35 176.72 3m81 s ASP 210 N 1.67 5.85 -0.79 0.00 1.01 -0.41 -2.40 116.67 121.59 3m81 s ASP 210 Ca 0.12 0.27 -0.14 0.00 0.71 0.00 0.00 52.55 53.51 3m81 s ASP 210 Cb -0.18 -1.86 0.02 0.00 1.01 0.00 0.00 42.92 41.91 3m81 s ASP 210 CO -0.24 0.34 0.27 1.33 0.21 0.00 0.00 175.17 177.08 3m81 n VAL 211 N 2.42 -1.22 -1.95 -1.27 0.24 -0.66 -1.34 118.33 114.55 3m81 n VAL 211 Ca -0.19 -0.33 -0.39 0.00 -2.04 0.00 0.00 64.34 61.39 3m81 n VAL 211 Cb 0.54 -1.07 0.01 0.00 -1.47 0.00 0.00 33.84 31.85 3m81 n VAL 211 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3m81 s PRO 212 N -6.20 3.77 0.40 7.34 0.04 -1.26 -2.32 135.00 136.78 3m81 s PRO 212 Ca 0.20 2.23 0.08 0.00 0.04 0.00 0.00 61.00 63.54 3m81 s PRO 212 Cb -0.11 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 3m81 s PRO 212 CO 0.59 -0.68 0.32 0.12 0.04 0.00 0.00 177.00 177.38 3m81 s PHE 213 N -1.26 2.71 -0.76 0.56 5.36 -0.87 -4.72 117.98 118.99 3m81 s PHE 213 Ca 0.60 -0.49 -0.02 0.00 -0.96 0.00 0.00 56.93 56.06 3m81 s PHE 213 Cb -0.40 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.22 3m81 s PHE 213 CO 0.50 -0.01 0.31 1.28 -1.46 0.00 0.00 175.22 175.84 3m81 n LEU 214 N -1.45 -2.11 -4.17 6.12 4.77 -1.26 -3.44 117.00 115.47 3m81 n LEU 214 Ca 0.02 -0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.59 3m81 n LEU 214 Cb 0.62 -1.72 -0.16 0.00 -2.33 0.00 0.00 43.42 39.83 3m81 n LEU 214 CO 0.43 0.12 -0.51 0.00 -1.33 0.00 0.00 177.39 176.10 3m81 n HIS 216 N 2.99 -1.81 -0.28 0.00 -0.00 -1.26 -4.63 115.22 110.23 3m81 n HIS 216 Ca -0.17 0.72 0.05 0.00 0.46 0.00 0.00 57.72 58.78 3m81 n HIS 216 Cb 0.53 -3.92 0.14 0.00 -0.12 0.00 0.00 29.99 26.62 3m81 n HIS 216 CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 3m81 h PHE 217 N -1.84 -0.23 -0.97 1.57 0.04 -1.95 -0.67 116.94 112.88 3m81 h PHE 217 Ca -0.63 0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.24 3m81 h PHE 217 Cb 1.37 0.23 -0.06 0.00 2.20 0.00 0.00 35.95 39.69 3m81 h PHE 217 CO 0.45 -0.31 0.64 -0.09 -0.60 0.00 0.00 178.31 178.39 3m81 h ARG 218 N 0.04 1.21 -0.05 1.51 9.65 -1.99 -1.56 114.38 123.19 3m81 h ARG 218 Ca 0.42 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 59.15 3m81 h ARG 218 Cb 0.71 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3m81 h ARG 218 CO -0.77 0.80 -0.26 -0.09 2.80 0.00 0.00 179.97 182.45 3m81 h ARG 219 N 1.24 0.26 -0.50 0.20 9.65 -1.68 -3.12 114.38 120.44 3m81 h ARG 219 Ca 0.38 -0.22 0.10 0.00 -1.10 0.00 0.00 59.98 59.15 3m81 h ARG 219 Cb -0.02 0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 28.50 3m81 h ARG 219 CO -0.12 0.87 -0.19 0.00 2.80 0.00 0.00 179.97 183.33 3m81 h ALA 220 N 0.40 0.21 0.00 2.80 0.00 -0.58 -1.01 119.26 121.07 3m81 h ALA 220 Ca -0.02 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3m81 h ALA 220 Cb 0.91 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3m81 h ALA 220 CO 0.05 -0.52 -0.24 0.28 0.00 0.00 0.00 179.25 178.83 3m81 h VAL 221 N -0.08 0.76 0.00 0.00 2.07 -1.42 -1.63 116.25 115.96 3m81 h VAL 221 Ca 0.24 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3m81 h VAL 221 Cb 0.44 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3m81 h VAL 221 CO -0.55 0.23 -0.55 0.00 0.02 0.00 0.00 177.57 176.72 3m81 n GLN 222 N -3.66 0.02 -0.11 1.57 6.02 -0.60 -4.45 117.38 116.17 3m81 n GLN 222 Ca -0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.80 3m81 n GLN 222 Cb 0.36 -1.51 -0.09 0.00 1.02 0.00 0.00 30.24 30.02 3m81 n GLN 222 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3m81 n LEU 223 N -1.53 2.49 -4.35 1.08 4.77 -0.49 -5.05 117.00 113.92 3m81 n LEU 223 Ca 0.05 0.03 -0.24 0.00 -0.03 0.00 0.00 56.01 55.82 3m81 n LEU 223 Cb 0.34 -0.72 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 3m81 n LEU 223 CO 0.36 0.72 -0.51 0.68 -1.33 0.00 0.00 177.39 177.31 3m81 s VAL 224 N -2.42 1.98 -0.26 4.08 -7.23 -0.68 -5.02 120.40 110.85 3m81 s VAL 224 Ca -0.30 -1.86 0.14 0.00 -1.81 0.00 0.00 61.98 58.15 3m81 s VAL 224 Cb 0.09 -1.88 0.36 0.00 0.56 0.00 0.00 36.38 35.51 3m81 s VAL 224 CO 0.46 -0.18 1.26 -0.90 -0.31 0.00 0.00 175.10 175.44 3m81 n ASP 225 N 0.49 3.05 -4.89 4.85 5.75 -1.26 -4.66 116.55 119.88 3m81 n ASP 225 Ca -0.15 -2.75 -0.29 0.00 -0.01 0.00 0.00 54.79 51.59 3m81 n ASP 225 Cb 0.56 -0.39 -0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3m81 n ASP 225 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3m81 s THR 226 N -2.33 4.81 0.38 2.12 -4.23 -1.26 -4.72 115.64 110.41 3m81 s THR 226 Ca 0.31 0.53 -0.17 0.00 -1.18 0.00 0.00 61.69 61.18 3m81 s THR 226 Cb 0.25 -3.84 -0.09 0.00 1.34 0.00 0.00 72.50 70.15 3m81 s THR 226 CO 0.07 -0.90 0.83 -1.00 -0.54 0.00 0.00 174.62 173.08 3m81 s HIS 227 N -2.84 3.36 -0.99 3.99 3.76 -1.26 -0.80 115.29 120.52 3m81 s HIS 227 Ca 0.51 1.36 0.27 0.00 -0.15 0.00 0.00 55.06 57.05 3m81 s HIS 227 Cb -0.11 -2.65 0.88 0.00 1.11 0.00 0.00 32.58 31.82 3m81 s HIS 227 CO 0.46 -0.02 1.68 -0.35 -0.85 0.00 0.00 174.74 175.66 3m81 n PRO 228 N -0.62 0.01 0.01 8.40 -0.05 -1.26 -4.87 135.00 136.63 3m81 n PRO 228 Ca 0.05 0.01 0.14 0.00 -0.05 0.00 0.00 63.50 63.65 3m81 n PRO 228 Cb 0.54 -1.51 0.60 0.00 -0.05 0.00 0.00 33.50 33.07 3m81 n PRO 228 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3m81 h TYR 229 N 0.00 0.19 0.00 0.54 0.05 -1.84 -1.36 116.97 114.56 3m81 h TYR 229 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3m81 h TYR 229 Cb 0.51 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3m81 h TYR 229 CO 0.00 0.09 0.00 0.00 -1.05 0.00 0.00 178.16 177.20 3m81 h ALA 230 N 1.77 1.00 -0.64 3.88 0.00 -1.25 -1.88 119.26 122.13 3m81 h ALA 230 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3m81 h ALA 230 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3m81 h ALA 230 CO -0.03 0.00 0.11 0.93 0.00 0.00 0.00 179.25 180.26 3m81 h GLU 231 N 0.00 1.04 -0.30 0.00 5.08 -1.52 -0.34 114.58 118.54 3m81 h GLU 231 Ca 0.00 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 3m81 h GLU 231 Cb 0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3m81 h GLU 231 CO 0.00 0.95 -0.12 0.82 -1.00 0.00 0.00 179.01 179.66 3m81 h ILE 232 N 0.98 1.29 -0.55 3.13 2.04 -1.52 -2.02 117.51 120.87 3m81 h ILE 232 Ca 0.20 -1.21 0.02 0.00 1.00 0.00 0.00 64.86 64.87 3m81 h ILE 232 Cb 0.41 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3m81 h ILE 232 CO 0.01 0.39 0.34 0.74 0.00 0.00 0.00 178.15 179.63 3m81 h THR 233 N 0.36 1.09 -0.40 -0.27 2.02 -1.48 -0.91 112.91 113.33 3m81 h THR 233 Ca 0.07 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 3m81 h THR 233 Cb 0.63 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3m81 h THR 233 CO 0.04 0.13 -0.21 0.78 0.37 0.00 0.00 175.52 176.63 3m81 h ASN 234 N 0.69 0.80 -0.33 4.18 2.35 -1.00 0.81 115.58 123.08 3m81 h ASN 234 Ca 0.21 -0.28 0.06 0.00 -0.55 0.00 0.00 56.30 55.74 3m81 h ASN 234 Cb -0.02 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.08 3m81 h ASN 234 CO -0.07 0.99 0.02 0.15 -1.65 0.00 0.00 177.43 176.86 3m81 h PHE 235 N 0.69 0.01 -0.27 1.19 3.04 -1.13 -2.83 116.94 117.65 3m81 h PHE 235 Ca 0.10 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.01 3m81 h PHE 235 Cb 0.72 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.26 3m81 h PHE 235 CO 0.04 -0.04 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.14 3m81 h LEU 236 N 0.12 0.41 -1.31 0.59 3.38 -0.38 0.93 115.31 119.04 3m81 h LEU 236 Ca 0.16 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3m81 h LEU 236 Cb 0.21 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3m81 h LEU 236 CO -0.25 0.54 0.52 0.11 0.09 0.00 0.00 178.44 179.45 3m81 h LYS 237 N 0.41 0.77 0.00 1.13 1.57 -0.61 -3.27 116.57 116.56 3m81 h LYS 237 Ca 0.08 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 3m81 h LYS 237 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3m81 h LYS 237 CO 0.02 0.51 -0.94 2.41 -0.57 0.00 0.00 179.45 180.88 3m81 n THR 238 N -4.50 1.48 -2.21 -0.16 -1.04 -0.91 -4.55 114.28 102.38 3m81 n THR 238 Ca 0.13 0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.79 3m81 n THR 238 Cb 0.28 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.59 3m81 n THR 238 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3m81 n HIS 239 N -4.51 3.66 0.37 -1.42 8.25 0.27 -4.78 115.22 117.06 3m81 n HIS 239 Ca -0.21 -2.94 0.14 0.00 -0.26 0.00 0.00 57.72 54.45 3m81 n HIS 239 Cb 0.50 -2.31 0.53 0.00 1.12 0.00 0.00 29.99 29.83 3m81 n HIS 239 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m81 h ARG 240 N 6.27 0.00 -0.09 -0.41 3.08 -1.80 -2.08 114.38 119.35 3m81 h ARG 240 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3m81 h ARG 240 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3m81 h ARG 240 CO 1.66 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 180.16 3m81 n ASP 241 N -2.59 1.02 -0.35 7.04 5.75 -1.26 -4.36 116.55 121.80 3m81 n ASP 241 Ca 0.02 -1.57 0.03 0.00 -0.01 0.00 0.00 54.79 53.26 3m81 n ASP 241 Cb 0.29 -0.06 0.08 0.00 -1.03 0.00 0.00 41.12 40.40 3m81 n ASP 241 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3m81 n LYS 242 N -0.12 2.31 0.01 0.11 4.76 -0.78 -4.75 118.16 119.70 3m81 n LYS 242 Ca 0.16 -1.63 -0.10 0.00 -2.87 0.00 0.00 58.31 53.87 3m81 n LYS 242 Cb 0.23 -1.15 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 3m81 n LYS 242 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3m81 h GLU 243 N 1.19 -0.31 -0.47 1.97 4.81 -1.76 -0.21 114.58 119.80 3m81 h GLU 243 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3m81 h GLU 243 Cb 0.56 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3m81 h GLU 243 CO 0.00 -0.21 0.23 1.49 -0.73 0.00 0.00 179.01 179.79 3m81 h GLU 244 N -0.33 0.67 -0.76 1.92 4.81 -1.95 -2.20 114.58 116.75 3m81 h GLU 244 Ca 0.10 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3m81 h GLU 244 Cb 0.47 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3m81 h GLU 244 CO -0.30 0.57 0.46 0.82 -0.73 0.00 0.00 179.01 179.83 3m81 h ILE 245 N 0.61 1.22 -0.36 2.32 2.04 -1.79 -1.23 117.51 120.32 3m81 h ILE 245 Ca 0.16 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3m81 h ILE 245 Cb 0.12 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3m81 h ILE 245 CO -0.02 0.23 0.11 0.58 0.00 0.00 0.00 178.15 179.04 3m81 h VAL 246 N 1.05 1.22 -0.01 1.67 2.07 -0.60 -1.44 116.25 120.20 3m81 h VAL 246 Ca 0.27 -0.71 -0.14 0.00 0.82 0.00 0.00 66.70 66.94 3m81 h VAL 246 Cb -0.03 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3m81 h VAL 246 CO -0.05 0.25 -0.67 -0.26 0.02 0.00 0.00 177.57 176.86 3m81 h PHE 247 N 0.44 0.07 -0.08 1.57 0.04 -1.29 -1.76 116.94 115.93 3m81 h PHE 247 Ca 0.12 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.88 3m81 h PHE 247 Cb 0.27 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3m81 h PHE 247 CO 0.01 0.70 -0.04 -0.09 -0.60 0.00 0.00 178.31 178.29 3m81 h ARG 248 N 0.03 -0.03 -0.20 1.51 2.43 -0.95 -1.63 114.38 115.54 3m81 h ARG 248 Ca -0.01 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3m81 h ARG 248 Cb 1.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3m81 h ARG 248 CO 0.09 -0.02 0.11 1.15 -1.51 0.00 0.00 179.97 179.79 3m81 h THR 249 N -0.03 1.02 0.00 0.20 2.02 -1.01 -2.82 112.91 112.28 3m81 h THR 249 Ca 0.04 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3m81 h THR 249 Cb 0.10 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3m81 h THR 249 CO -0.10 0.04 -0.16 -0.07 0.37 0.00 0.00 175.52 175.60 3m81 h LEU 250 N 0.23 0.00 -2.07 2.58 3.38 -1.09 -1.44 115.31 116.91 3m81 h LEU 250 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3m81 h LEU 250 Cb -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3m81 h LEU 250 CO -0.04 0.16 -0.01 0.77 0.09 0.00 0.00 178.44 179.41 3m81 h SER 251 N 0.00 0.00 0.76 -0.43 4.64 -1.03 -0.63 113.55 116.86 3m81 h SER 251 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m81 h SER 251 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3m81 h SER 251 CO 0.02 0.01 0.00 -1.22 -0.87 0.00 0.00 176.83 174.77 3m81 n TYR 252 N -4.38 0.20 -0.05 4.77 4.02 -0.54 -3.53 117.16 117.65 3m81 n TYR 252 Ca -0.03 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3m81 n TYR 252 Cb 0.10 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 3m81 n TYR 252 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3m81 n PHE 253 N -1.67 0.00 -2.76 -0.72 3.72 -0.27 -5.03 117.46 110.72 3m81 n PHE 253 Ca 0.04 -0.42 -0.42 0.00 -0.05 0.00 0.00 57.45 56.60 3m81 n PHE 253 Cb 0.25 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3m81 n PHE 253 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3m81 s ASP 254 N -0.85 7.01 0.56 4.37 -1.08 -1.02 -4.88 116.67 120.77 3m81 s ASP 254 Ca 0.00 1.26 0.30 0.00 -0.52 0.00 0.00 52.55 53.59 3m81 s ASP 254 Cb 0.00 -2.50 1.46 0.00 -1.46 0.00 0.00 42.92 40.42 3m81 s ASP 254 CO 0.00 -0.57 1.90 1.23 0.52 0.00 0.00 175.17 178.25 3m81 h GLY 255 N 9.12 0.00 0.97 2.66 0.00 -1.24 -0.17 103.07 114.40 3m81 h GLY 255 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3m81 h GLY 255 CO 0.92 0.00 0.20 -2.08 0.00 0.00 0.00 176.54 175.58 3m81 h VAL 256 N 0.00 1.14 -0.30 4.60 2.07 -1.91 0.18 116.25 122.03 3m81 h VAL 256 Ca 0.32 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 3m81 h VAL 256 Cb 1.42 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3m81 h VAL 256 CO -0.00 0.14 -0.17 0.78 0.02 0.00 0.00 177.57 178.34 3m81 h ASN 257 N 0.46 0.53 -0.28 0.57 2.35 -1.37 -2.16 115.58 115.69 3m81 h ASN 257 Ca 0.13 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 3m81 h ASN 257 Cb 0.05 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3m81 h ASN 257 CO -0.02 0.72 -0.56 -0.26 -1.65 0.00 0.00 177.43 175.66 3m81 h PHE 258 N 0.49 1.10 -0.67 1.19 0.04 -1.37 -3.23 116.94 114.49 3m81 h PHE 258 Ca 0.08 -0.40 0.07 0.00 2.80 0.00 0.00 57.97 60.52 3m81 h PHE 258 Cb 0.58 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.47 3m81 h PHE 258 CO 0.02 1.23 0.35 0.00 -0.60 0.00 0.00 178.31 179.31 3m81 h ALA 259 N 0.67 0.90 0.00 2.45 0.00 -0.32 -0.70 119.26 122.26 3m81 h ALA 259 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m81 h ALA 259 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3m81 h ALA 259 CO 0.12 -0.01 0.13 0.00 0.00 0.00 0.00 179.25 179.49 3m81 h ALA 260 N 1.37 1.12 0.00 0.00 0.00 -1.39 -1.85 119.26 118.51 3m81 h ALA 260 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3m81 h ALA 260 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3m81 h ALA 260 CO -0.22 -0.12 -0.96 0.54 0.00 0.00 0.00 179.25 178.49 3m81 n ARG 261 N -2.78 1.87 -2.68 0.00 1.74 -0.33 -4.59 116.66 109.89 3m81 n ARG 261 Ca -0.02 -0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 56.62 3m81 n ARG 261 Cb 0.18 -1.20 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 3m81 n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m81 s ALA 262 N -2.49 3.33 -0.05 7.54 0.00 -0.84 -4.83 121.76 124.42 3m81 s ALA 262 Ca 0.02 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3m81 s ALA 262 Cb 0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3m81 s ALA 262 CO 0.56 0.10 0.08 1.63 0.00 0.00 0.00 175.76 178.13 3m81 n LYS 263 N 1.25 2.18 -2.64 0.00 4.76 -1.26 -1.54 118.16 120.90 3m81 n LYS 263 Ca -0.01 -0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 55.08 3m81 n LYS 263 Cb 0.47 -0.91 -0.05 0.00 -1.84 0.00 0.00 35.03 32.69 3m81 n LYS 263 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3m81 s ILE 264 N -1.87 4.25 0.56 -0.18 -4.36 -1.26 -4.23 121.20 114.10 3m81 s ILE 264 Ca -0.00 1.32 -0.21 0.00 -0.26 0.00 0.00 60.65 61.50 3m81 s ILE 264 Cb 0.02 -3.57 -0.04 0.00 1.25 0.00 0.00 42.46 40.11 3m81 s ILE 264 CO 0.11 -0.38 1.29 -2.16 0.24 0.00 0.00 174.94 174.05 3m81 s PRO 265 N -3.40 3.11 -0.04 0.37 0.04 -1.26 -4.33 135.00 129.49 3m81 s PRO 265 Ca 0.63 2.07 -0.05 0.00 0.04 0.00 0.00 61.00 63.69 3m81 s PRO 265 Cb -0.11 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.28 3m81 s PRO 265 CO 0.19 -1.17 0.12 0.00 0.04 0.00 0.00 177.00 176.19 3m81 s ALA 266 N -1.40 -0.29 -0.23 8.56 0.00 -0.45 -0.88 121.76 127.07 3m81 s ALA 266 Ca 0.73 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.95 3m81 s ALA 266 Cb -0.36 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.65 3m81 s ALA 266 CO 0.42 -0.08 -0.13 -1.17 0.00 0.00 0.00 175.76 174.79 3m81 s LEU 267 N -0.20 2.93 0.25 0.00 2.96 -0.18 -1.89 118.68 122.55 3m81 s LEU 267 Ca -0.03 -1.02 0.05 0.00 -0.22 0.00 0.00 54.13 52.92 3m81 s LEU 267 Cb -0.02 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3m81 s LEU 267 CO 0.00 -0.11 0.37 -0.36 -1.32 0.00 0.00 176.35 174.94 3m81 s PHE 268 N 1.22 3.41 0.04 5.38 0.40 0.43 -1.44 117.98 127.41 3m81 s PHE 268 Ca -0.02 -0.05 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 3m81 s PHE 268 Cb -0.17 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 3m81 s PHE 268 CO -0.08 0.39 -0.01 -1.54 0.70 0.00 0.00 175.22 174.68 3m81 s SER 269 N -4.00 0.35 -0.15 1.36 1.04 -1.01 -1.39 113.70 109.90 3m81 s SER 269 Ca 0.35 -0.75 -0.16 0.00 0.48 0.00 0.00 55.95 55.87 3m81 s SER 269 Cb -0.09 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.24 3m81 s SER 269 CO 0.29 -0.48 0.44 0.54 0.98 0.00 0.00 173.24 175.01 3m81 s VAL 270 N -2.84 0.00 -0.19 5.02 0.11 -0.78 -1.65 120.40 120.07 3m81 s VAL 270 Ca -0.03 -0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 3m81 s VAL 270 Cb 0.00 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 3m81 s VAL 270 CO -0.06 -0.02 0.02 -0.83 -3.33 0.00 0.00 175.10 170.88 3m81 s GLY 271 N 0.07 1.77 0.20 6.54 0.00 -1.26 -0.84 107.32 113.79 3m81 s GLY 271 Ca -0.01 -0.91 0.23 0.00 0.00 0.00 0.00 44.72 44.03 3m81 s GLY 271 CO 0.01 0.16 1.71 1.04 0.00 0.00 0.00 173.10 176.02 3m81 n LEU 272 N 3.99 0.58 -0.90 0.66 4.77 -0.67 -2.21 117.00 123.22 3m81 n LEU 272 Ca -0.17 0.61 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 3m81 n LEU 272 Cb 0.52 -0.49 0.24 0.00 -2.33 0.00 0.00 43.42 41.36 3m81 n LEU 272 CO 0.33 -0.38 0.70 0.23 -1.33 0.00 0.00 177.39 176.93 3m81 n MET 273 N -2.11 3.05 -2.23 3.23 2.81 -0.47 -4.63 117.12 116.77 3m81 n MET 273 Ca 0.04 -2.63 -0.43 0.00 -1.81 0.00 0.00 57.70 52.86 3m81 n MET 273 Cb 0.28 -1.70 -0.02 0.00 -0.71 0.00 0.00 33.22 31.07 3m81 n MET 273 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3m81 s ASP 274 N -1.55 6.35 0.00 7.83 -1.08 -0.94 -4.38 116.67 122.89 3m81 s ASP 274 Ca 0.38 1.24 0.22 0.00 -0.52 0.00 0.00 52.55 53.87 3m81 s ASP 274 Cb 0.28 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.63 3m81 s ASP 274 CO 0.12 -1.35 1.39 -0.46 0.52 0.00 0.00 175.17 175.39 3m81 n ASN 275 N 8.69 3.45 -0.08 -0.34 6.94 -1.26 -3.64 115.26 129.02 3m81 n ASN 275 Ca 0.18 -1.98 -0.23 0.00 -0.02 0.00 0.00 54.58 52.53 3m81 n ASN 275 Cb 0.47 -0.26 -0.12 0.00 -2.36 0.00 0.00 39.78 37.51 3m81 n ASN 275 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3m81 n ILE 276 N 1.45 1.60 -3.86 1.53 2.08 -1.26 -4.60 119.36 116.31 3m81 n ILE 276 Ca 0.19 -0.34 -0.30 0.00 0.56 0.00 0.00 62.75 62.87 3m81 n ILE 276 Cb 0.59 -1.85 -0.13 0.00 -0.75 0.00 0.00 39.64 37.50 3m81 n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m81 s PRO 278 N -0.22 2.97 0.31 0.00 0.02 -1.24 -4.75 135.00 132.10 3m81 s PRO 278 Ca 0.18 2.06 0.03 0.00 0.02 0.00 0.00 61.00 63.30 3m81 s PRO 278 Cb -0.22 -2.07 0.62 0.00 0.02 0.00 0.00 34.50 32.85 3m81 s PRO 278 CO -0.02 -1.27 1.87 -1.35 -0.33 0.00 0.00 177.00 175.90 3m81 h PRO 279 N 1.10 0.89 -0.57 5.54 0.11 -1.78 -1.53 132.00 135.75 3m81 h PRO 279 Ca -0.51 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 3m81 h PRO 279 Cb 1.31 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3m81 h PRO 279 CO 0.56 0.59 0.29 0.66 -0.21 0.00 0.00 178.00 179.88 3m81 h SER 280 N 0.92 0.71 -0.34 -2.05 4.64 -1.93 0.96 113.55 116.46 3m81 h SER 280 Ca 0.44 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.58 3m81 h SER 280 Cb 0.45 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3m81 h SER 280 CO -0.21 0.59 -0.29 0.71 -0.87 0.00 0.00 176.83 176.77 3m81 h THR 281 N 0.80 1.29 -0.18 2.95 1.35 -1.62 -0.76 112.91 116.74 3m81 h THR 281 Ca 0.20 -1.45 -0.02 0.00 -0.55 0.00 0.00 66.41 64.59 3m81 h THR 281 Cb 0.06 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 3m81 h THR 281 CO -0.03 0.47 0.04 0.58 -0.25 0.00 0.00 175.52 176.34 3m81 h VAL 282 N 0.57 1.21 -0.27 6.82 2.07 -1.07 -2.73 116.25 122.84 3m81 h VAL 282 Ca 0.06 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 3m81 h VAL 282 Cb 0.86 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3m81 h VAL 282 CO 0.07 0.20 -0.18 -0.26 0.02 0.00 0.00 177.57 177.42 3m81 h PHE 283 N 0.10 0.52 -0.53 1.57 0.04 -0.82 0.25 116.94 118.07 3m81 h PHE 283 Ca 0.06 -0.09 0.07 0.00 2.80 0.00 0.00 57.97 60.81 3m81 h PHE 283 Cb 0.27 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.22 3m81 h PHE 283 CO 0.01 0.64 0.20 0.00 -0.60 0.00 0.00 178.31 178.56 3m81 h ALA 284 N 1.37 0.66 0.04 2.45 0.00 -1.05 0.28 119.26 123.01 3m81 h ALA 284 Ca 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3m81 h ALA 284 Cb 0.57 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3m81 h ALA 284 CO 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.07 3m81 h ALA 285 N 1.35 -0.06 -0.42 0.00 0.00 -1.10 -2.77 119.26 116.26 3m81 h ALA 285 Ca 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3m81 h ALA 285 Cb 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3m81 h ALA 285 CO -0.26 -0.41 0.25 -0.92 0.00 0.00 0.00 179.25 177.92 3m81 h TYR 286 N -0.30 0.47 -0.26 0.00 3.20 -0.62 -1.21 116.97 118.25 3m81 h TYR 286 Ca -0.01 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3m81 h TYR 286 Cb 0.28 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3m81 h TYR 286 CO 0.01 0.27 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.73 3m81 h ASN 287 N 0.51 0.44 1.14 -2.11 2.35 -0.50 -2.27 115.58 115.14 3m81 h ASN 287 Ca 0.17 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3m81 h ASN 287 Cb 0.01 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3m81 h ASN 287 CO -0.08 0.62 -0.24 -1.22 -1.65 0.00 0.00 177.43 174.87 3m81 n TYR 288 N -4.19 0.62 -1.68 1.19 4.01 -1.05 -4.91 117.16 111.15 3m81 n TYR 288 Ca 0.00 0.18 -0.44 0.00 -0.16 0.00 0.00 57.90 57.48 3m81 n TYR 288 Cb 0.34 -0.74 -0.03 0.00 -0.31 0.00 0.00 39.34 38.59 3m81 n TYR 288 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3m81 n TYR 289 N -2.06 2.53 1.14 -0.72 9.36 -0.48 -3.32 117.16 123.61 3m81 n TYR 289 Ca 0.05 -0.07 0.12 0.00 3.32 0.00 0.00 57.90 61.32 3m81 n TYR 289 Cb 0.41 -2.70 0.23 0.00 -0.63 0.00 0.00 39.34 36.66 3m81 n TYR 289 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3m81 n ALA 290 N 5.50 3.36 -2.00 2.98 0.00 -0.76 -4.91 120.51 124.68 3m81 n ALA 290 Ca 0.19 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 3m81 n ALA 290 Cb 0.35 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.83 3m81 n ALA 290 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m81 s GLY 291 N -2.58 1.83 0.31 0.00 0.00 -0.59 -4.76 107.32 101.54 3m81 s GLY 291 Ca 0.20 -1.71 -0.29 0.00 0.00 0.00 0.00 44.72 42.92 3m81 s GLY 291 CO 0.57 -1.37 1.35 -1.05 0.00 0.00 0.00 173.10 172.60 3m81 n PRO 292 N -2.24 2.13 -3.69 2.90 -0.02 -1.26 -4.87 135.00 127.95 3m81 n PRO 292 Ca 0.11 0.75 -0.15 0.00 -2.02 0.00 0.00 63.50 62.20 3m81 n PRO 292 Cb 0.60 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 3m81 n PRO 292 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3m81 s LYS 293 N -1.31 0.78 0.04 -0.52 -2.85 -1.26 -1.34 119.74 113.28 3m81 s LYS 293 Ca 0.60 -0.05 0.01 0.00 -1.00 0.00 0.00 55.97 55.53 3m81 s LYS 293 Cb -0.59 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.51 3m81 s LYS 293 CO 0.57 -0.23 -0.05 -1.21 0.10 0.00 0.00 175.35 174.54 3m81 s GLU 294 N -1.27 0.46 -0.03 1.78 2.02 -0.79 -4.98 118.70 115.89 3m81 s GLU 294 Ca -0.13 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.09 3m81 s GLU 294 Cb -0.04 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.17 3m81 s GLU 294 CO 0.06 -0.02 -0.10 -1.50 0.02 0.00 0.00 175.26 173.71 3m81 s ILE 295 N -1.95 0.89 -0.25 -1.63 2.07 -1.26 -0.43 121.20 118.64 3m81 s ILE 295 Ca -0.09 -0.41 -0.13 0.00 -1.41 0.00 0.00 60.65 58.61 3m81 s ILE 295 Cb -0.06 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 3m81 s ILE 295 CO -0.02 0.28 0.26 -0.13 -1.91 0.00 0.00 174.94 173.42 3m81 s ARG 296 N 0.22 4.04 -0.20 3.50 1.81 -0.48 -4.96 118.95 122.87 3m81 s ARG 296 Ca -0.04 -0.12 -0.07 0.00 -1.72 0.00 0.00 55.73 53.78 3m81 s ARG 296 Cb -0.10 -3.60 -0.03 0.00 -0.45 0.00 0.00 34.95 30.77 3m81 s ARG 296 CO 0.01 -0.10 0.04 0.42 -0.68 0.00 0.00 175.30 174.99 3m81 s ILE 297 N 1.54 4.44 -0.47 1.52 1.01 -1.26 -1.86 121.20 126.12 3m81 s ILE 297 Ca 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.63 3m81 s ILE 297 Cb -0.15 -3.01 0.12 0.00 0.01 0.00 0.00 42.46 39.43 3m81 s ILE 297 CO 0.08 0.43 0.23 -0.31 0.00 0.00 0.00 174.94 175.37 3m81 s TYR 298 N 0.76 3.48 0.38 3.97 2.02 -0.02 -4.98 117.35 122.96 3m81 s TYR 298 Ca 0.02 -2.88 0.17 0.00 -0.37 0.00 0.00 57.07 54.02 3m81 s TYR 298 Cb -0.14 -3.01 0.96 0.00 -0.40 0.00 0.00 41.96 39.37 3m81 s TYR 298 CO 0.02 -0.87 1.91 -1.35 -1.57 0.00 0.00 175.55 173.69 3m81 h PRO 299 N 7.24 0.00 -0.11 -1.71 0.11 -1.95 -1.72 132.00 133.85 3m81 h PRO 299 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3m81 h PRO 299 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3m81 h PRO 299 CO 0.65 0.27 0.00 0.66 -0.21 0.00 0.00 178.00 179.37 3m81 n TYR 300 N -3.97 0.13 -3.47 0.65 4.01 -1.26 -4.15 117.16 109.10 3m81 n TYR 300 Ca -0.02 -0.09 -0.33 0.00 -0.16 0.00 0.00 57.90 57.31 3m81 n TYR 300 Cb 0.34 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.31 3m81 n TYR 300 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3m81 s ASN 301 N -1.39 6.64 0.00 7.72 -0.87 -1.09 -4.83 114.94 121.11 3m81 s ASN 301 Ca 0.23 0.87 0.00 0.00 -1.57 0.00 0.00 52.86 52.40 3m81 s ASN 301 Cb 0.15 -2.21 0.00 0.00 -0.02 0.00 0.00 41.25 39.18 3m81 s ASN 301 CO 0.23 0.01 0.00 -3.20 -2.57 0.00 0.00 177.10 171.56 3m81 n ASN 302 N 0.18 0.00 0.24 -1.22 2.85 -1.26 -1.36 115.26 114.68 3m81 n ASN 302 Ca -0.02 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.61 3m81 n ASN 302 Cb 0.52 0.00 0.73 0.00 1.24 0.00 0.00 39.78 42.28 3m81 n ASN 302 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3m81 h HIS 303 N 0.00 0.00 0.00 1.20 2.76 -1.91 -1.55 115.15 115.65 3m81 h HIS 303 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3m81 h HIS 303 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 3m81 h HIS 303 CO 0.00 0.00 -0.00 1.05 -1.30 0.00 0.00 177.93 177.68 3m81 h GLU 304 N 0.00 0.00 0.00 5.26 9.09 -1.99 -3.48 114.58 123.46 3m81 h GLU 304 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m81 h GLU 304 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3m81 h GLU 304 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 3m81 n GLY 305 N -1.15 2.16 0.18 1.06 0.00 -0.58 -2.59 105.19 104.27 3m81 n GLY 305 Ca -0.03 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.61 3m81 n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m81 n GLY 306 N 0.00 -0.71 7.00 -0.02 0.00 -1.26 -4.79 105.19 105.41 3m81 n GLY 306 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3m81 n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m81 n GLY 307 N 1.19 2.32 0.26 -0.02 0.00 -1.07 -1.33 105.19 106.54 3m81 n GLY 307 Ca 0.18 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3m81 n GLY 307 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m81 h SER 308 N 1.61 0.14 -0.57 1.61 0.02 -1.95 -1.31 113.55 113.10 3m81 h SER 308 Ca 0.00 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3m81 h SER 308 Cb 0.00 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3m81 h SER 308 CO 0.00 0.15 0.32 -0.26 -1.14 0.00 0.00 176.83 175.89 3m81 h PHE 309 N 0.16 0.59 -0.12 3.45 -1.00 -1.63 -2.06 116.94 116.32 3m81 h PHE 309 Ca 0.04 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 3m81 h PHE 309 Cb 0.07 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 3m81 h PHE 309 CO 0.00 0.31 -0.31 0.37 -1.61 0.00 0.00 178.31 177.06 3m81 h GLN 310 N 0.61 0.22 -0.46 1.51 5.75 -0.65 -2.52 115.11 119.58 3m81 h GLN 310 Ca 0.24 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3m81 h GLN 310 Cb 0.10 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 3m81 h GLN 310 CO -0.14 0.52 0.30 0.00 -2.65 0.00 0.00 178.83 176.86 3m81 h ALA 311 N 1.48 0.59 -0.55 3.38 0.00 -1.05 0.28 119.26 123.40 3m81 h ALA 311 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3m81 h ALA 311 Cb 0.66 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3m81 h ALA 311 CO 0.05 0.05 0.30 0.28 0.00 0.00 0.00 179.25 179.94 3m81 h VAL 312 N 0.62 1.00 -0.59 0.00 2.07 -1.12 -2.08 116.25 116.15 3m81 h VAL 312 Ca 0.17 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3m81 h VAL 312 Cb -0.05 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3m81 h VAL 312 CO -0.03 0.11 0.34 -0.33 0.02 0.00 0.00 177.57 177.67 3m81 h GLU 313 N 0.59 0.80 -0.29 1.57 4.39 -0.92 -2.01 114.58 118.70 3m81 h GLU 313 Ca 0.23 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 3m81 h GLU 313 Cb 0.10 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3m81 h GLU 313 CO -0.14 0.57 -0.29 1.96 -1.16 0.00 0.00 179.01 179.96 3m81 h GLN 314 N 0.81 0.71 -0.28 2.33 4.20 -0.44 -0.53 115.11 121.91 3m81 h GLN 314 Ca 0.21 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3m81 h GLN 314 Cb -0.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3m81 h GLN 314 CO -0.04 0.99 0.14 0.28 -0.67 0.00 0.00 178.83 179.53 3m81 h VAL 315 N 0.45 1.14 -0.67 -0.54 2.07 -1.08 -1.87 116.25 115.76 3m81 h VAL 315 Ca 0.05 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3m81 h VAL 315 Cb 0.86 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3m81 h VAL 315 CO 0.07 0.15 0.37 0.11 0.02 0.00 0.00 177.57 178.29 3m81 h LYS 316 N 0.32 0.94 -0.35 1.57 1.57 -1.31 -2.14 116.57 117.16 3m81 h LYS 316 Ca 0.10 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3m81 h LYS 316 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3m81 h LYS 316 CO -0.01 0.70 0.19 0.35 -0.57 0.00 0.00 179.45 180.11 3m81 h PHE 317 N 0.92 0.48 -0.32 -1.35 3.57 -0.89 -2.34 116.94 117.01 3m81 h PHE 317 Ca 0.24 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 3m81 h PHE 317 Cb 0.04 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 3m81 h PHE 317 CO -0.01 0.39 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.02 3m81 h LEU 318 N 0.44 0.88 -0.06 0.59 3.38 -1.25 -0.13 115.31 119.16 3m81 h LEU 318 Ca 0.12 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3m81 h LEU 318 Cb 0.07 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3m81 h LEU 318 CO -0.02 1.18 -0.30 0.50 0.09 0.00 0.00 178.44 179.89 3m81 h LYS 319 N 0.60 -0.40 -0.73 1.13 3.64 -1.30 -0.40 116.57 119.10 3m81 h LYS 319 Ca 0.05 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3m81 h LYS 319 Cb 0.95 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3m81 h LYS 319 CO 0.09 -0.27 0.43 -0.22 -2.27 0.00 0.00 179.45 177.21 3m81 h LYS 320 N -0.42 1.00 -0.69 1.90 3.64 -1.37 -2.72 116.57 117.91 3m81 h LYS 320 Ca 0.08 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3m81 h LYS 320 Cb 0.53 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3m81 h LYS 320 CO -0.30 0.72 0.36 1.25 -2.27 0.00 0.00 179.45 179.22 3m81 h LEU 321 N 1.00 0.87 -1.44 5.20 5.85 -0.41 -2.97 115.31 123.40 3m81 h LEU 321 Ca 0.26 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3m81 h LEU 321 Cb -0.01 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.79 3m81 h LEU 321 CO -0.05 0.73 0.00 0.49 -0.34 0.00 0.00 178.44 179.27 3m81 n PHE 322 N -4.49 0.41 0.04 1.25 3.72 -0.22 -2.40 117.46 115.78 3m81 n PHE 322 Ca 0.06 -0.20 0.07 0.00 -0.05 0.00 0.00 57.45 57.32 3m81 n PHE 322 Cb 0.10 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 3m81 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3m81 n GLU 323 N 0.64 0.63 0.00 -1.08 1.02 -1.03 -5.07 120.64 115.75 3m81 n GLU 323 Ca 0.15 0.06 0.14 0.00 -0.02 0.00 0.00 57.16 57.49 3m81 n GLU 323 Cb 0.37 -1.73 0.42 0.00 -0.02 0.00 0.00 31.44 30.48 3m81 n GLU 323 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94