#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 0.05 -3.48 1.38 -1.74 -1.26 -5.00 117.46 107.41 3m81 n PHE 4 Ca 0.00 0.01 -0.19 0.00 -0.56 0.00 0.00 57.45 56.72 3m81 n PHE 4 Cb 0.00 -0.17 0.02 0.00 1.52 0.00 0.00 39.48 40.85 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 -1.67 2.13 -4.55 5.98 -0.08 -1.26 -5.05 116.55 112.05 3m81 n ASP 5 Ca 0.03 -2.42 -0.40 0.00 -1.51 0.00 0.00 54.79 50.49 3m81 n ASP 5 Cb 0.38 -0.17 0.02 0.00 2.34 0.00 0.00 41.12 43.70 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 1.91 -4.72 -2.67 4.77 -1.26 -4.92 117.00 110.11 3m81 n LEU 6 Ca 0.05 0.90 -0.35 0.00 -0.03 0.00 0.00 56.01 56.57 3m81 n LEU 6 Cb 0.50 -1.27 0.09 0.00 -2.33 0.00 0.00 43.42 40.41 3m81 n LEU 6 CO 0.31 -2.18 0.83 -2.16 -1.33 0.00 0.00 177.39 172.85 3m81 s PRO 7 N -2.09 2.15 0.28 3.23 0.04 -1.26 -4.68 135.00 132.67 3m81 s PRO 7 Ca 0.67 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.59 3m81 s PRO 7 Cb -0.51 -1.82 0.55 0.00 0.04 0.00 0.00 34.50 32.76 3m81 s PRO 7 CO 0.54 -1.85 1.83 1.25 0.04 0.00 0.00 177.00 178.81 3m81 h LEU 8 N -0.15 0.90 -1.33 -3.56 5.85 -1.99 -0.35 115.31 114.68 3m81 h LEU 8 Ca -0.48 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3m81 h LEU 8 Cb 1.31 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3m81 h LEU 8 CO 0.50 0.47 0.29 -0.33 -0.34 0.00 0.00 178.44 179.03 3m81 h GLU 9 N 0.96 0.75 0.14 1.25 3.07 -2.00 -1.17 114.58 117.58 3m81 h GLU 9 Ca 0.50 -0.08 -0.30 0.00 -0.50 0.00 0.00 59.36 58.98 3m81 h GLU 9 Cb 0.51 -0.15 0.03 0.00 -0.84 0.00 0.00 28.75 28.29 3m81 h GLU 9 CO -0.27 0.56 -1.27 0.93 -1.40 0.00 0.00 179.01 177.55 3m81 h GLU 10 N 0.75 0.54 -0.75 2.33 5.08 -1.53 -3.27 114.58 117.73 3m81 h GLU 10 Ca 0.19 -0.77 0.07 0.00 -1.00 0.00 0.00 59.36 57.86 3m81 h GLU 10 Cb 0.03 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 3m81 h GLU 10 CO -0.03 1.35 0.43 -0.07 -1.00 0.00 0.00 179.01 179.69 3m81 h LEU 11 N 0.22 0.64 -2.50 1.33 3.38 -0.76 -1.29 115.31 116.33 3m81 h LEU 11 Ca -0.19 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3m81 h LEU 11 Cb 1.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.61 3m81 h LEU 11 CO 0.24 0.40 0.00 0.11 0.09 0.00 0.00 178.44 179.27 3m81 h LYS 12 N 0.77 0.00 -0.09 1.13 1.57 -1.27 -2.21 116.57 116.46 3m81 h LYS 12 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3m81 h LYS 12 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3m81 h LYS 12 CO -0.20 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.31 3m81 n LYS 13 N -3.01 1.05 -2.18 3.15 5.02 -0.69 -5.01 118.16 116.48 3m81 n LYS 13 Ca -0.02 -1.33 -0.43 0.00 -2.02 0.00 0.00 58.31 54.51 3m81 n LYS 13 Cb 0.13 -1.20 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 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 -0.87 2.14 -0.45 2.13 5.04 -0.57 -4.92 117.35 119.86 3m81 s TYR 14 Ca 0.14 0.64 0.06 0.00 -2.44 0.00 0.00 57.07 55.47 3m81 s TYR 14 Cb 0.09 -4.14 0.21 0.00 0.35 0.00 0.00 41.96 38.47 3m81 s TYR 14 CO 0.13 -2.53 0.46 0.54 -1.34 0.00 0.00 175.55 172.81 3m81 n ARG 15 N 8.05 0.76 -1.33 4.97 1.74 -1.26 -4.40 116.66 125.18 3m81 n ARG 15 Ca 0.19 -3.44 -0.33 0.00 -0.77 0.00 0.00 57.85 53.50 3m81 n ARG 15 Cb 0.47 -1.59 0.10 0.00 -1.02 0.00 0.00 32.46 30.42 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 -0.81 2.06 0.21 5.56 0.04 -1.26 -4.88 135.00 135.92 3m81 s PRO 16 Ca 0.34 1.56 -0.32 0.00 0.04 0.00 0.00 61.00 62.61 3m81 s PRO 16 Cb 0.10 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.67 3m81 s PRO 16 CO -0.14 -1.85 1.67 -1.91 0.04 0.00 0.00 177.00 174.81 3m81 n GLU 17 N -3.07 2.61 -2.94 4.56 2.13 -1.26 -4.95 120.64 117.72 3m81 n GLU 17 Ca 0.12 0.94 -0.38 0.00 0.66 0.00 0.00 57.16 58.50 3m81 n GLU 17 Cb 0.51 -2.76 -0.06 0.00 0.27 0.00 0.00 31.44 29.40 3m81 n GLU 17 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3m81 s ARG 18 N 0.94 4.50 -0.16 5.31 0.52 -1.26 -5.07 118.95 123.73 3m81 s ARG 18 Ca 0.75 1.14 0.01 0.00 -0.52 0.00 0.00 55.73 57.11 3m81 s ARG 18 Cb -0.55 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 31.91 3m81 s ARG 18 CO 0.35 0.43 -0.17 -0.47 0.02 0.00 0.00 175.30 175.47 3m81 s TYR 19 N -1.40 2.77 0.04 -0.53 5.04 -1.26 -5.11 117.35 116.91 3m81 s TYR 19 Ca 0.42 -1.19 -0.18 0.00 -2.44 0.00 0.00 57.07 53.69 3m81 s TYR 19 Cb -0.20 -1.89 0.03 0.00 0.35 0.00 0.00 41.96 40.25 3m81 s TYR 19 CO 0.24 -0.56 0.40 -1.83 -1.34 0.00 0.00 175.55 172.47 3m81 s GLU 20 N 0.93 0.91 0.63 4.97 -1.05 -1.26 -4.84 118.70 119.00 3m81 s GLU 20 Ca -0.03 -0.38 -0.11 0.00 -0.15 0.00 0.00 54.97 54.29 3m81 s GLU 20 Cb -0.15 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 33.92 3m81 s GLU 20 CO -0.03 -0.31 1.04 -1.21 0.95 0.00 0.00 175.26 175.70 3m81 s GLU 21 N -2.50 3.43 0.40 -4.83 0.41 -1.26 -4.96 118.70 109.40 3m81 s GLU 21 Ca -0.05 0.84 0.11 0.00 -0.41 0.00 0.00 54.97 55.46 3m81 s GLU 21 Cb -0.01 -2.06 0.85 0.00 -1.78 0.00 0.00 34.13 31.13 3m81 s GLU 21 CO -0.03 -0.70 1.93 0.87 -0.49 0.00 0.00 175.26 176.84 3m81 h LYS 22 N -0.32 0.14 -0.77 1.61 1.57 -2.04 -2.54 116.57 114.22 3m81 h LYS 22 Ca -0.44 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3m81 h LYS 22 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3m81 h LYS 22 CO 0.60 0.31 0.00 -0.40 -0.57 0.00 0.00 179.45 179.40 3m81 n ASP 23 N -4.27 2.84 -0.03 0.86 5.75 -1.26 -4.51 116.55 115.92 3m81 n ASP 23 Ca -0.01 -2.35 -0.12 0.00 -0.01 0.00 0.00 54.79 52.30 3m81 n ASP 23 Cb 0.27 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 39.77 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 1.68 -1.25 -0.44 2.11 3.04 -1.84 0.95 116.94 121.19 3m81 h PHE 24 Ca 0.00 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 3m81 h PHE 24 Cb 1.04 0.58 -0.02 0.00 2.56 0.00 0.00 35.95 40.11 3m81 h PHE 24 CO 0.43 -0.47 0.10 -0.44 -2.02 0.00 0.00 178.31 175.91 3m81 h ASP 25 N -0.46 0.67 -0.61 0.41 3.32 -1.86 -2.54 116.42 115.34 3m81 h ASP 25 Ca 0.09 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 56.93 3m81 h ASP 25 Cb 0.62 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 3m81 h ASP 25 CO -0.44 0.73 0.36 -0.33 -1.72 0.00 0.00 179.24 177.84 3m81 h GLU 26 N 0.57 0.69 -0.36 3.56 3.07 -1.78 0.22 114.58 120.55 3m81 h GLU 26 Ca 0.14 -0.04 0.05 0.00 -0.50 0.00 0.00 59.36 59.01 3m81 h GLU 26 Cb 0.33 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.04 3m81 h GLU 26 CO 0.00 0.45 0.08 0.35 -1.40 0.00 0.00 179.01 178.50 3m81 h PHE 27 N 0.71 0.14 -0.42 4.33 3.57 -0.57 0.75 116.94 125.45 3m81 h PHE 27 Ca 0.25 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.62 3m81 h PHE 27 Cb 0.06 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3m81 h PHE 27 CO -0.06 0.03 -0.33 -1.49 -2.23 0.00 0.00 178.31 174.23 3m81 h TRP 28 N 0.21 1.13 -0.40 0.41 4.06 -1.01 -0.87 115.95 119.48 3m81 h TRP 28 Ca 0.17 -0.32 0.02 0.00 2.06 0.00 0.00 58.89 60.82 3m81 h TRP 28 Cb 0.18 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 3m81 h TRP 28 CO -0.18 1.15 0.22 0.93 -3.56 0.00 0.00 178.44 177.00 3m81 h GLU 29 N 0.79 0.43 -0.56 0.49 5.08 -0.13 -1.42 114.58 119.26 3m81 h GLU 29 Ca 0.08 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3m81 h GLU 29 Cb 0.92 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3m81 h GLU 29 CO 0.09 0.29 0.23 0.93 -1.00 0.00 0.00 179.01 179.54 3m81 h GLU 30 N 0.44 0.83 -0.17 2.33 5.08 -0.83 -0.82 114.58 121.45 3m81 h GLU 30 Ca 0.17 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3m81 h GLU 30 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3m81 h GLU 30 CO -0.10 0.72 0.06 1.15 -1.00 0.00 0.00 179.01 179.84 3m81 h THR 31 N 0.76 0.97 -0.34 1.13 2.02 -0.75 -0.44 112.91 116.27 3m81 h THR 31 Ca 0.19 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 67.17 3m81 h THR 31 Cb 0.20 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3m81 h THR 31 CO -0.02 0.03 -0.37 -0.07 0.37 0.00 0.00 175.52 175.46 3m81 h LEU 32 N 0.15 0.91 -0.27 2.58 3.38 -1.24 -2.57 115.31 118.25 3m81 h LEU 32 Ca 0.07 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.60 3m81 h LEU 32 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3m81 h LEU 32 CO -0.07 1.20 0.08 0.00 0.09 0.00 0.00 178.44 179.74 3m81 h ALA 33 N 0.73 0.30 -0.89 1.53 0.00 -0.88 0.28 119.26 120.34 3m81 h ALA 33 Ca 0.05 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3m81 h ALA 33 Cb 0.96 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3m81 h ALA 33 CO 0.09 -0.33 0.58 0.93 0.00 0.00 0.00 179.25 180.51 3m81 h GLU 34 N 0.19 1.09 0.00 0.00 5.08 -1.06 -2.38 114.58 117.50 3m81 h GLU 34 Ca 0.12 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 3m81 h GLU 34 Cb 0.10 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3m81 h GLU 34 CO -0.14 0.72 -0.64 0.77 -1.00 0.00 0.00 179.01 178.73 3m81 h SER 35 N 1.13 0.00 0.70 1.42 0.02 -1.14 -3.08 113.55 112.59 3m81 h SER 35 Ca 0.35 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.28 3m81 h SER 35 Cb -0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3m81 h SER 35 CO -0.11 0.64 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.81 3m81 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 -0.42 -2.49 114.58 120.20 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 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3m81 h GLU 36 CO 0.08 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.79 3m81 n LYS 37 N -3.27 0.18 -3.74 2.33 5.02 -1.09 -4.55 118.16 113.03 3m81 n LYS 37 Ca -0.01 0.52 -0.35 0.00 -2.02 0.00 0.00 58.31 56.45 3m81 n LYS 37 Cb 0.28 -1.93 -0.05 0.00 -0.02 0.00 0.00 35.03 33.31 3m81 n LYS 37 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3m81 s PHE 38 N -3.43 3.59 0.30 2.13 0.40 -0.94 -5.06 117.98 114.97 3m81 s PHE 38 Ca 0.01 0.61 -0.29 0.00 -0.60 0.00 0.00 56.93 56.66 3m81 s PHE 38 Cb 0.08 -2.02 -0.10 0.00 0.51 0.00 0.00 43.02 41.50 3m81 s PHE 38 CO 0.32 0.62 1.24 -2.14 0.70 0.00 0.00 175.22 175.97 3m81 s PRO 39 N -1.63 4.45 0.21 0.24 0.02 -1.26 -4.93 135.00 132.09 3m81 s PRO 39 Ca 0.26 2.07 -0.10 0.00 0.02 0.00 0.00 61.00 63.25 3m81 s PRO 39 Cb -0.13 -3.12 0.20 0.00 0.02 0.00 0.00 34.50 31.46 3m81 s PRO 39 CO 0.15 -0.08 1.84 1.25 -0.33 0.00 0.00 177.00 179.83 3m81 h LEU 40 N 3.81 0.67 -3.22 -5.54 5.85 -1.90 -3.42 115.31 111.56 3m81 h LEU 40 Ca -0.48 0.01 -0.55 0.00 0.84 0.00 0.00 57.88 57.70 3m81 h LEU 40 Cb 1.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3m81 h LEU 40 CO 0.68 0.46 -0.98 -0.67 -0.34 0.00 0.00 178.44 177.59 3m81 n ASP 41 N -4.70 -3.11 -4.74 1.25 2.03 -1.26 -1.55 116.55 104.47 3m81 n ASP 41 Ca 0.08 -1.20 -0.41 0.00 0.52 0.00 0.00 54.79 53.78 3m81 n ASP 41 Cb 0.11 -2.22 -0.04 0.00 -0.72 0.00 0.00 41.12 38.25 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 -6.99 4.53 -0.09 -0.67 0.04 -1.26 -4.56 135.00 126.00 3m81 s PRO 42 Ca 0.35 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.25 3m81 s PRO 42 Cb -0.17 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.15 3m81 s PRO 42 CO 0.94 -0.01 -0.13 0.08 0.04 0.00 0.00 177.00 177.92 3m81 s VAL 43 N -0.29 1.30 -0.23 -0.36 1.01 0.12 -5.01 120.40 116.95 3m81 s VAL 43 Ca 0.51 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 3m81 s VAL 43 Cb -0.32 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 34.88 3m81 s VAL 43 CO 0.37 0.40 -0.10 -0.36 0.00 0.00 0.00 175.10 175.42 3m81 s PHE 44 N 0.97 2.99 -0.24 5.22 0.08 -1.26 -1.86 117.98 123.89 3m81 s PHE 44 Ca -0.08 -1.56 0.02 0.00 0.12 0.00 0.00 56.93 55.43 3m81 s PHE 44 Cb -0.15 -2.02 0.05 0.00 -0.57 0.00 0.00 43.02 40.34 3m81 s PHE 44 CO -0.01 -0.74 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.05 3m81 s GLU 45 N 1.32 2.21 0.28 0.44 2.02 -0.45 -4.95 118.70 119.58 3m81 s GLU 45 Ca 0.01 -1.15 -0.30 0.00 0.02 0.00 0.00 54.97 53.56 3m81 s GLU 45 Cb -0.16 -2.73 -0.10 0.00 0.10 0.00 0.00 34.13 31.24 3m81 s GLU 45 CO -0.07 -0.51 1.43 0.50 0.02 0.00 0.00 175.26 176.63 3m81 s ARG 46 N 1.21 4.26 0.12 1.61 6.06 -1.26 -0.73 118.95 130.22 3m81 s ARG 46 Ca -0.06 2.33 0.05 0.00 -2.50 0.00 0.00 55.73 55.56 3m81 s ARG 46 Cb -0.18 -3.08 -0.04 0.00 0.06 0.00 0.00 34.95 31.71 3m81 s ARG 46 CO -0.07 -0.39 0.03 -1.64 -2.50 0.00 0.00 175.30 170.73 3m81 s MET 47 N -0.87 2.61 0.08 5.12 -1.94 -0.65 -4.87 119.30 118.77 3m81 s MET 47 Ca 0.57 -0.88 -0.31 0.00 -1.71 0.00 0.00 55.69 53.35 3m81 s MET 47 Cb -0.42 -2.54 -0.07 0.00 2.01 0.00 0.00 34.83 33.81 3m81 s MET 47 CO 0.48 0.52 1.39 -2.00 -0.01 0.00 0.00 175.02 175.39 3m81 s GLU 48 N -2.58 4.31 0.00 2.03 2.12 -1.26 -4.76 118.70 118.56 3m81 s GLU 48 Ca 0.27 2.03 -0.18 0.00 0.36 0.00 0.00 54.97 57.45 3m81 s GLU 48 Cb -0.11 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.95 3m81 s GLU 48 CO 0.20 -0.47 0.39 0.45 -0.54 0.00 0.00 175.26 175.28 3m81 s SER 49 N 1.37 -0.28 0.00 -1.70 0.15 -1.26 -5.02 113.70 106.97 3m81 s SER 49 Ca 0.64 0.13 0.29 0.00 0.70 0.00 0.00 55.95 57.71 3m81 s SER 49 Cb -0.35 0.38 1.29 0.00 -1.71 0.00 0.00 66.02 65.63 3m81 s SER 49 CO 0.29 -0.54 1.95 1.41 1.20 0.00 0.00 173.24 177.54 3m81 n HIS 50 N 0.95 0.00 -1.73 3.44 8.25 -1.26 -4.87 115.22 120.00 3m81 n HIS 50 Ca -0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.84 3m81 n HIS 50 Cb 0.57 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 3m81 n HIS 50 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m81 n LEU 51 N -1.44 4.20 -0.03 2.41 4.77 -1.26 -4.92 117.00 120.72 3m81 n LEU 51 Ca 0.09 1.13 -0.03 0.00 -0.03 0.00 0.00 56.01 57.17 3m81 n LEU 51 Cb 0.32 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.77 3m81 n LEU 51 CO 0.26 0.11 -0.72 0.29 -1.33 0.00 0.00 177.39 176.00 3m81 n LYS 52 N 2.47 2.59 0.00 3.23 4.76 -1.26 -4.67 118.16 125.27 3m81 n LYS 52 Ca 0.10 -0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.65 3m81 n LYS 52 Cb 0.36 -1.18 0.11 0.00 -1.84 0.00 0.00 35.03 32.48 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 -2.22 0.00 -4.00 -0.18 -2.24 -1.26 -4.94 114.28 99.44 3m81 n THR 53 Ca -0.11 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 3m81 n THR 53 Cb 0.68 1.24 -0.13 0.00 -2.10 0.00 0.00 70.33 70.02 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 -2.22 0.21 -0.23 2.28 1.01 -1.26 -1.15 120.40 119.04 3m81 s VAL 54 Ca 0.25 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3m81 s VAL 54 Cb 0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.29 3m81 s VAL 54 CO 0.43 -0.13 0.14 -1.61 0.00 0.00 0.00 175.10 173.92 3m81 s GLU 55 N -0.57 4.05 -0.16 2.72 2.02 0.18 -4.84 118.70 122.10 3m81 s GLU 55 Ca -0.04 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.62 3m81 s GLU 55 Cb -0.04 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 3m81 s GLU 55 CO -0.00 0.10 -0.01 0.00 0.02 0.00 0.00 175.26 175.36 3m81 s ALA 56 N 0.93 3.10 -0.06 5.21 0.00 -1.26 -0.85 121.76 128.84 3m81 s ALA 56 Ca 0.07 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.28 3m81 s ALA 56 Cb -0.13 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 3m81 s ALA 56 CO 0.03 0.22 -0.23 0.71 0.00 0.00 0.00 175.76 176.49 3m81 s TYR 57 N 0.33 2.50 -0.03 0.00 1.51 0.14 -1.64 117.35 120.16 3m81 s TYR 57 Ca -0.02 -0.65 -0.30 0.00 -1.01 0.00 0.00 57.07 55.09 3m81 s TYR 57 Cb -0.14 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 3m81 s TYR 57 CO 0.02 -0.17 1.31 0.34 -1.11 0.00 0.00 175.55 175.95 3m81 s ASP 58 N -0.19 6.94 -0.03 2.29 2.15 0.09 -1.13 116.67 126.79 3m81 s ASP 58 Ca -0.02 1.97 -0.01 0.00 0.43 0.00 0.00 52.55 54.92 3m81 s ASP 58 Cb -0.14 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 3m81 s ASP 58 CO 0.03 -0.67 0.04 -0.69 -0.17 0.00 0.00 175.17 173.72 3m81 s VAL 59 N 2.42 4.51 -0.02 1.11 1.01 -0.32 -1.34 120.40 127.77 3m81 s VAL 59 Ca 0.60 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 3m81 s VAL 59 Cb -0.28 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.11 3m81 s VAL 59 CO 0.24 0.43 0.05 -0.89 0.00 0.00 0.00 175.10 174.93 3m81 s THR 60 N -1.08 -0.03 0.21 3.92 2.01 -0.78 -1.95 115.64 117.95 3m81 s THR 60 Ca 0.19 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 3m81 s THR 60 Cb -0.12 -0.09 0.01 0.00 0.01 0.00 0.00 72.50 72.32 3m81 s THR 60 CO 0.09 0.04 0.48 0.72 -0.69 0.00 0.00 174.62 175.26 3m81 s PHE 61 N 0.51 0.11 -0.29 4.92 -0.71 -0.69 -0.70 117.98 121.13 3m81 s PHE 61 Ca -0.04 -0.47 -0.15 0.00 -1.04 0.00 0.00 56.93 55.23 3m81 s PHE 61 Cb -0.06 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 3m81 s PHE 61 CO -0.02 -0.93 0.37 -1.12 -1.34 0.00 0.00 175.22 172.19 3m81 s SER 62 N -2.94 6.23 0.00 1.98 0.01 -0.60 -0.32 113.70 118.07 3m81 s SER 62 Ca 0.15 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.56 3m81 s SER 62 Cb -0.00 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.02 3m81 s SER 62 CO 0.02 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.05 3m81 n GLY 63 N 4.76 0.64 3.67 3.44 0.00 0.91 -4.79 105.19 113.82 3m81 n GLY 63 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 2.51 -4.03 1.61 9.36 -1.26 -3.05 117.16 122.29 3m81 n TYR 64 Ca 0.00 -0.23 -0.31 0.00 3.32 0.00 0.00 57.90 60.68 3m81 n TYR 64 Cb 0.00 -2.75 -0.00 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 6.75 -4.11 -0.96 2.98 1.74 -1.26 -0.98 116.66 120.81 3m81 n ARG 65 Ca 0.20 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 3m81 n ARG 65 Cb 0.37 -5.12 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 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 -1.63 0.55 3.76 -0.13 0.00 -1.17 -4.99 105.19 101.58 3m81 n GLY 66 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.33 4.58 -0.33 1.61 -0.21 -0.15 -4.64 119.66 120.19 3m81 s GLN 67 Ca 0.00 1.67 -0.23 0.00 0.02 0.00 0.00 55.36 56.82 3m81 s GLN 67 Cb 0.00 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.95 3m81 s GLN 67 CO 0.00 0.20 0.78 1.03 -2.12 0.00 0.00 175.29 175.18 3m81 s ARG 68 N -1.63 3.87 -0.08 2.91 1.81 -1.26 -0.06 118.95 124.51 3m81 s ARG 68 Ca 0.47 0.45 0.00 0.00 -1.72 0.00 0.00 55.73 54.93 3m81 s ARG 68 Cb -0.28 -3.76 -0.03 0.00 -0.45 0.00 0.00 34.95 30.42 3m81 s ARG 68 CO 0.36 -0.75 -0.07 0.42 -0.68 0.00 0.00 175.30 174.58 3m81 s ILE 69 N 3.01 3.68 0.53 1.52 -1.09 0.56 -4.83 121.20 124.58 3m81 s ILE 69 Ca 0.32 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 58.24 3m81 s ILE 69 Cb -0.14 -2.51 0.01 0.00 -1.58 0.00 0.00 42.46 38.24 3m81 s ILE 69 CO 0.14 0.59 0.77 -0.54 -1.23 0.00 0.00 174.94 174.68 3m81 s LYS 70 N -0.68 2.83 0.05 2.79 -0.14 -1.26 -1.70 119.74 121.63 3m81 s LYS 70 Ca 0.10 -0.44 -0.22 0.00 -1.36 0.00 0.00 55.97 54.05 3m81 s LYS 70 Cb -0.11 -2.45 0.07 0.00 -1.68 0.00 0.00 37.83 33.66 3m81 s LYS 70 CO 0.02 -0.55 1.00 0.41 -0.76 0.00 0.00 175.35 175.46 3m81 n GLY 71 N -2.32 0.45 3.36 -3.33 0.00 -0.82 -2.02 105.19 100.51 3m81 n GLY 71 Ca 0.04 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.40 2.19 -0.15 1.61 0.23 -0.50 -1.18 118.94 118.74 3m81 s TRP 72 Ca 0.23 -0.39 0.01 0.00 -2.03 0.00 0.00 56.10 53.92 3m81 s TRP 72 Cb -0.01 -1.20 0.01 0.00 0.03 0.00 0.00 33.47 32.29 3m81 s TRP 72 CO 0.02 0.28 -0.19 -1.17 0.96 0.00 0.00 176.95 176.85 3m81 s LEU 73 N -1.92 2.26 -0.22 2.99 2.96 -0.28 -0.87 118.68 123.59 3m81 s LEU 73 Ca 0.12 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3m81 s LEU 73 Cb -0.10 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.10 3m81 s LEU 73 CO 0.05 0.07 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.30 3m81 s LEU 74 N 0.90 2.85 -0.21 -0.68 1.43 0.44 -0.69 118.68 122.72 3m81 s LEU 74 Ca -0.05 -0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 3m81 s LEU 74 Cb -0.15 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3m81 s LEU 74 CO -0.03 -0.06 -0.09 -0.69 0.23 0.00 0.00 176.35 175.71 3m81 s VAL 75 N 1.37 2.93 0.37 -1.59 1.01 -0.03 -0.43 120.40 124.03 3m81 s VAL 75 Ca 0.03 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 3m81 s VAL 75 Cb -0.15 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 3m81 s VAL 75 CO -0.06 0.43 1.11 -2.16 0.00 0.00 0.00 175.10 174.41 3m81 s PRO 76 N 1.41 4.25 -0.95 2.72 0.04 -1.26 0.51 135.00 141.71 3m81 s PRO 76 Ca 0.05 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.56 3m81 s PRO 76 Cb -0.14 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.66 3m81 s PRO 76 CO -0.06 -0.11 1.58 0.15 0.04 0.00 0.00 177.00 178.60 3m81 s LYS 77 N -2.15 3.25 0.13 4.56 1.02 -0.30 -4.84 119.74 121.42 3m81 s LYS 77 Ca 0.54 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.82 3m81 s LYS 77 Cb -0.28 -5.14 -0.04 0.00 -0.52 0.00 0.00 37.83 31.85 3m81 s LYS 77 CO 0.35 -2.53 -0.12 -0.51 -0.92 0.00 0.00 175.35 171.62 3m81 s LEU 78 N 6.53 2.45 0.17 3.17 1.43 -1.26 -5.00 118.68 126.17 3m81 s LEU 78 Ca 0.52 -0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 3m81 s LEU 78 Cb -0.03 -0.47 0.09 0.00 0.03 0.00 0.00 46.19 45.81 3m81 s LEU 78 CO -0.04 -0.22 1.80 -0.33 0.23 0.00 0.00 176.35 177.79 3m81 h GLU 79 N 3.22 0.50 -6.28 1.70 3.07 -2.02 -3.45 114.58 111.32 3m81 h GLU 79 Ca -0.38 -0.03 -0.67 0.00 -0.50 0.00 0.00 59.36 57.78 3m81 h GLU 79 Cb 1.20 -0.11 0.07 0.00 -0.84 0.00 0.00 28.75 29.07 3m81 h GLU 79 CO 0.56 0.33 0.25 0.39 -1.40 0.00 0.00 179.01 179.14 3m81 n GLU 80 N -4.86 1.02 0.15 2.33 1.02 -1.26 -4.89 120.64 114.15 3m81 n GLU 80 Ca 0.03 0.36 0.03 0.00 -0.02 0.00 0.00 57.16 57.56 3m81 n GLU 80 Cb 0.09 -1.87 0.04 0.00 -0.02 0.00 0.00 31.44 29.68 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 3.48 0.00 -5.18 3.49 3.07 -1.95 -3.43 114.58 114.05 3m81 h GLU 81 Ca -0.44 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 57.83 3m81 h GLU 81 Cb 1.35 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 28.94 3m81 h GLU 81 CO 0.71 0.46 -0.85 0.15 -1.40 0.00 0.00 179.01 178.08 3m81 s LYS 82 N -2.98 2.18 0.20 2.33 -0.14 -1.26 -4.58 119.74 115.48 3m81 s LYS 82 Ca 0.04 -0.66 0.10 0.00 -1.36 0.00 0.00 55.97 54.09 3m81 s LYS 82 Cb 0.07 -1.77 -0.04 0.00 -1.68 0.00 0.00 37.83 34.40 3m81 s LYS 82 CO 0.74 0.18 -0.20 -0.51 -0.76 0.00 0.00 175.35 174.80 3m81 s LEU 83 N 0.27 2.48 0.83 3.17 1.43 0.14 -4.83 118.68 122.17 3m81 s LEU 83 Ca -0.11 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 51.96 3m81 s LEU 83 Cb -0.15 -0.96 0.09 0.00 0.03 0.00 0.00 46.19 45.21 3m81 s LEU 83 CO 0.05 0.01 1.15 -2.16 0.23 0.00 0.00 176.35 175.62 3m81 s PRO 84 N -2.97 1.79 -0.09 1.29 0.04 -1.26 -0.13 135.00 133.66 3m81 s PRO 84 Ca 0.20 0.27 -0.05 0.00 0.04 0.00 0.00 61.00 61.46 3m81 s PRO 84 Cb -0.06 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.61 3m81 s PRO 84 CO 0.09 -1.75 0.22 0.00 0.04 0.00 0.00 177.00 175.60 3m81 s VAL 86 N 0.97 3.84 -0.40 0.00 1.01 0.84 -0.30 120.40 126.36 3m81 s VAL 86 Ca -0.07 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 3m81 s VAL 86 Cb -0.08 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.55 3m81 s VAL 86 CO -0.06 0.40 0.76 -0.69 0.00 0.00 0.00 175.10 175.51 3m81 s VAL 87 N 1.41 4.72 -0.23 2.92 1.01 0.10 -0.68 120.40 129.65 3m81 s VAL 87 Ca 0.05 0.66 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 3m81 s VAL 87 Cb -0.15 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3m81 s VAL 87 CO 0.00 -0.53 0.06 -1.58 0.00 0.00 0.00 175.10 173.06 3m81 s GLN 88 N 3.12 3.75 0.19 2.72 2.00 0.17 -0.81 119.66 130.80 3m81 s GLN 88 Ca 0.30 -0.44 0.05 0.00 -2.00 0.00 0.00 55.36 53.26 3m81 s GLN 88 Cb -0.13 -3.28 -0.03 0.00 0.80 0.00 0.00 33.01 30.37 3m81 s GLN 88 CO 0.19 -0.04 0.24 0.71 -0.50 0.00 0.00 175.29 175.89 3m81 s TYR 89 N 1.21 3.32 0.03 1.67 2.02 -0.31 -1.80 117.35 123.49 3m81 s TYR 89 Ca 0.05 0.01 0.06 0.00 -0.37 0.00 0.00 57.07 56.81 3m81 s TYR 89 Cb -0.14 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3m81 s TYR 89 CO 0.03 0.50 -0.14 0.42 -1.57 0.00 0.00 175.55 174.79 3m81 s ILE 90 N -1.87 3.09 0.99 2.71 1.01 -1.26 -4.47 121.20 121.41 3m81 s ILE 90 Ca 0.33 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 3m81 s ILE 90 Cb -0.10 -2.32 0.18 0.00 0.01 0.00 0.00 42.46 40.23 3m81 s ILE 90 CO 0.27 0.35 1.08 -0.83 0.00 0.00 0.00 174.94 175.80 3m81 s GLY 91 N -1.46 1.61 0.35 6.18 0.00 -1.26 -3.05 107.32 109.68 3m81 s GLY 91 Ca 0.16 0.04 -0.28 0.00 0.00 0.00 0.00 44.72 44.64 3m81 s GLY 91 CO 0.06 0.60 1.28 2.98 0.00 0.00 0.00 173.10 178.02 3m81 n TYR 92 N -4.30 2.26 -1.14 1.90 9.36 -1.26 -1.61 117.16 122.36 3m81 n TYR 92 Ca 0.07 0.55 -0.05 0.00 3.32 0.00 0.00 57.90 61.79 3m81 n TYR 92 Cb 0.54 -2.41 -0.02 0.00 -0.63 0.00 0.00 39.34 36.82 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 0.72 -5.09 -4.90 2.98 3.02 -1.26 -4.83 115.26 105.89 3m81 n ASN 93 Ca 0.05 0.12 -0.20 0.00 -0.03 0.00 0.00 54.58 54.52 3m81 n ASN 93 Cb 0.36 -3.01 -0.02 0.00 -0.61 0.00 0.00 39.78 36.50 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 -2.26 2.10 0.08 7.41 0.00 -0.64 -1.00 107.32 113.02 3m81 s GLY 94 Ca 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 44.72 42.87 3m81 s GLY 94 CO 0.00 -1.66 0.12 0.61 0.00 0.00 0.00 173.10 172.17 3m81 n GLY 95 N -1.62 2.77 0.27 0.20 0.00 -0.79 -1.56 105.19 104.46 3m81 n GLY 95 Ca 0.04 -1.39 0.18 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.83 -3.43 114.38 110.84 3m81 h ARG 96 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 3m81 h ARG 96 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 3m81 h ARG 96 CO 0.09 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.57 3m81 n GLY 97 N -0.31 2.87 3.82 0.08 0.00 -0.02 -4.63 105.19 107.00 3m81 n GLY 97 Ca -0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 3.12 0.39 1.61 0.08 -1.26 -4.96 117.98 116.96 3m81 s PHE 98 Ca 0.00 -0.09 0.10 0.00 0.12 0.00 0.00 56.93 57.06 3m81 s PHE 98 Cb 0.00 -1.43 0.88 0.00 -0.57 0.00 0.00 43.02 41.90 3m81 s PHE 98 CO 0.00 0.52 1.93 -1.35 -0.10 0.00 0.00 175.22 176.22 3m81 h PRO 99 N 1.74 0.59 0.00 0.24 0.11 -2.00 -1.73 132.00 130.95 3m81 h PRO 99 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m81 h PRO 99 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m81 h PRO 99 CO 0.61 0.39 0.00 -2.39 -0.21 0.00 0.00 178.00 176.40 3m81 n HIS 100 N -4.50 0.00 1.90 0.65 1.44 -1.26 -2.61 115.22 110.85 3m81 n HIS 100 Ca 0.13 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.99 3m81 n HIS 100 Cb 0.38 -0.12 0.91 0.00 0.12 0.00 0.00 29.99 31.28 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 -1.12 0.00 -2.62 4.39 8.00 -0.65 -4.21 116.55 120.35 3m81 n ASP 101 Ca 0.13 -0.91 -0.09 0.00 0.71 0.00 0.00 54.79 54.63 3m81 n ASP 101 Cb 0.11 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.02 1.69 0.89 1.24 7.02 -1.07 -4.91 117.44 121.28 3m81 n TRP 102 Ca 0.23 -2.39 0.13 0.00 -1.02 0.00 0.00 57.50 54.45 3m81 n TRP 102 Cb 0.12 -0.27 0.48 0.00 -2.42 0.00 0.00 31.31 29.22 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 -0.48 0.31 0.46 -0.99 4.77 -1.26 -4.31 117.00 115.49 3m81 n LEU 103 Ca 0.17 0.42 -0.18 0.00 -0.03 0.00 0.00 56.01 56.39 3m81 n LEU 103 Cb 0.82 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 3m81 n LEU 103 CO 0.20 -0.02 0.52 0.15 -1.33 0.00 0.00 177.39 176.91 3m81 h PHE 104 N 0.00 -1.08 -0.42 -1.77 3.57 -1.94 -2.11 116.94 113.18 3m81 h PHE 104 Ca 0.00 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 3m81 h PHE 104 Cb 0.57 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3m81 h PHE 104 CO 0.00 -0.67 0.06 -1.49 -2.23 0.00 0.00 178.31 173.98 3m81 h TRP 105 N -1.19 0.75 -0.85 0.41 4.06 -1.88 -1.93 115.95 115.32 3m81 h TRP 105 Ca -0.12 -0.11 0.11 0.00 2.06 0.00 0.00 58.89 60.84 3m81 h TRP 105 Cb 0.89 -0.20 -0.08 0.00 -1.00 0.00 0.00 29.16 28.77 3m81 h TRP 105 CO 0.03 0.72 0.48 -1.35 -3.56 0.00 0.00 178.44 174.76 3m81 h PRO 106 N 0.55 0.75 0.00 0.49 0.11 -1.54 0.22 132.00 132.58 3m81 h PRO 106 Ca 0.13 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3m81 h PRO 106 Cb 0.38 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 3m81 h PRO 106 CO 0.01 0.49 -0.09 0.77 -0.21 0.00 0.00 178.00 178.97 3m81 h SER 107 N 0.77 0.00 -0.36 -2.05 0.02 -0.65 0.18 113.55 111.46 3m81 h SER 107 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3m81 h SER 107 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3m81 h SER 107 CO -0.28 0.09 0.00 0.23 -1.14 0.00 0.00 176.83 175.73 3m81 n MET 108 N -3.90 2.11 -0.56 3.45 2.81 -0.06 -4.91 117.12 116.06 3m81 n MET 108 Ca -0.02 -1.40 0.00 0.00 -1.81 0.00 0.00 57.70 54.47 3m81 n MET 108 Cb 0.18 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 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 0.92 0.69 3.67 3.03 0.00 0.62 -5.05 105.19 109.07 3m81 n GLY 109 Ca 0.13 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 3.15 0.30 1.61 1.51 -0.46 -4.46 117.35 117.00 3m81 s TYR 110 Ca 0.00 0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 55.93 3m81 s TYR 110 Cb 0.00 -1.80 -0.10 0.00 -0.11 0.00 0.00 41.96 39.95 3m81 s TYR 110 CO 0.00 0.43 1.25 0.42 -1.11 0.00 0.00 175.55 176.54 3m81 s ILE 111 N -0.78 2.98 -0.13 2.71 1.01 0.09 -2.42 121.20 124.65 3m81 s ILE 111 Ca 0.12 0.97 0.01 0.00 0.00 0.00 0.00 60.65 61.75 3m81 s ILE 111 Cb -0.11 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.76 3m81 s ILE 111 CO 0.02 0.22 -0.15 0.00 0.00 0.00 0.00 174.94 175.04 3m81 s PHE 113 N 1.19 3.19 -0.28 0.00 2.19 0.15 -0.42 117.98 123.99 3m81 s PHE 113 Ca -0.02 -1.02 -0.09 0.00 0.33 0.00 0.00 56.93 56.13 3m81 s PHE 113 Cb -0.14 -2.29 -0.03 0.00 -1.31 0.00 0.00 43.02 39.24 3m81 s PHE 113 CO -0.05 -0.60 0.13 0.08 1.83 0.00 0.00 175.22 176.61 3m81 s VAL 114 N 1.50 4.74 -0.26 3.12 1.01 -0.05 0.45 120.40 130.91 3m81 s VAL 114 Ca 0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 3m81 s VAL 114 Cb -0.18 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3m81 s VAL 114 CO 0.03 0.24 0.43 -0.32 0.00 0.00 0.00 175.10 175.48 3m81 s MET 115 N 1.67 4.05 0.58 2.72 1.75 -0.74 -1.41 119.30 127.90 3m81 s MET 115 Ca 0.06 0.17 -0.20 0.00 -1.25 0.00 0.00 55.69 54.47 3m81 s MET 115 Cb -0.16 -3.65 -0.04 0.00 2.84 0.00 0.00 34.83 33.82 3m81 s MET 115 CO 0.07 -0.29 1.23 0.34 -0.65 0.00 0.00 175.02 175.72 3m81 s ASP 116 N 1.56 5.26 -0.33 1.11 2.15 -0.86 -4.47 116.67 121.10 3m81 s ASP 116 Ca 0.18 2.45 -0.11 0.00 0.43 0.00 0.00 52.55 55.49 3m81 s ASP 116 Cb -0.16 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.85 3m81 s ASP 116 CO 0.09 -1.55 0.20 -0.89 -0.17 0.00 0.00 175.17 172.86 3m81 s THR 117 N -1.53 4.95 -0.25 1.71 2.01 -1.26 -4.80 115.64 116.46 3m81 s THR 117 Ca 0.76 -0.37 -0.40 0.00 0.31 0.00 0.00 61.69 61.98 3m81 s THR 117 Cb -0.32 -3.56 -0.16 0.00 0.01 0.00 0.00 72.50 68.47 3m81 s THR 117 CO 0.36 -0.01 1.69 -2.11 -0.69 0.00 0.00 174.62 173.86 3m81 n ARG 118 N 5.05 1.08 -0.55 4.92 1.85 -1.26 -2.22 116.66 125.53 3m81 n ARG 118 Ca -0.13 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 3m81 n ARG 118 Cb 0.49 -2.06 0.00 0.00 -1.05 0.00 0.00 32.46 29.84 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 4.00 1.50 0.00 2.89 0.00 0.11 -4.57 105.19 109.12 3m81 n GLY 119 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.38 1.61 6.02 -0.94 -4.88 117.38 113.81 3m81 n GLN 120 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 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 -0.48 0.00 1.08 0.00 -0.60 -4.71 105.19 105.47 3m81 n GLY 121 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.30 0.47 -0.05 1.61 7.64 -1.20 -1.82 113.62 117.98 3m81 n SER 122 Ca -0.01 -1.07 -0.05 0.00 1.01 0.00 0.00 58.87 58.75 3m81 n SER 122 Cb 0.54 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.03 -0.55 0.00 0.23 0.00 -0.17 -4.89 105.19 99.78 3m81 n GLY 123 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.56 0.00 -3.69 1.61 4.27 -1.05 -5.04 117.44 109.98 3m81 n TRP 124 Ca -0.07 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.42 3m81 n TRP 124 Cb 0.26 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.12 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 -1.46 -0.09 0.65 5.67 2.96 -1.26 -5.02 118.68 120.14 3m81 s LEU 125 Ca 0.00 1.03 -0.17 0.00 -0.22 0.00 0.00 54.13 54.76 3m81 s LEU 125 Cb 0.00 1.67 -0.01 0.00 0.50 0.00 0.00 46.19 48.35 3m81 s LEU 125 CO 0.00 -0.19 1.21 -1.59 -1.32 0.00 0.00 176.35 174.46 3m81 s LYS 126 N 0.81 2.65 0.20 1.98 -2.85 -1.26 -1.88 119.74 119.40 3m81 s LYS 126 Ca -0.04 1.79 0.02 0.00 -1.00 0.00 0.00 55.97 56.74 3m81 s LYS 126 Cb -0.05 -1.89 -0.05 0.00 -2.06 0.00 0.00 37.83 33.78 3m81 s LYS 126 CO -0.06 -1.45 0.01 0.20 0.10 0.00 0.00 175.35 174.15 3m81 s GLY 127 N -1.81 1.37 0.00 0.59 0.00 -0.75 -0.84 107.32 105.88 3m81 s GLY 127 Ca 0.76 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3m81 s GLY 127 CO 0.38 -1.57 0.64 1.22 0.00 0.00 0.00 173.10 173.77 3m81 n ASP 128 N -0.31 0.78 -4.36 1.64 8.00 -1.26 -4.87 116.55 116.17 3m81 n ASP 128 Ca -0.05 -1.36 -0.34 0.00 0.71 0.00 0.00 54.79 53.74 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 -0.36 3.42 0.68 -3.53 2.01 -1.26 -4.90 115.64 111.70 3m81 s THR 129 Ca 0.00 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 3m81 s THR 129 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.99 3m81 s THR 129 CO 0.00 0.45 1.08 -2.16 -0.69 0.00 0.00 174.62 173.30 3m81 s PRO 130 N 1.05 3.03 0.45 4.92 0.04 -1.26 0.08 135.00 143.32 3m81 s PRO 130 Ca 0.01 0.52 -0.04 0.00 0.04 0.00 0.00 61.00 61.53 3m81 s PRO 130 Cb -0.15 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3m81 s PRO 130 CO -0.00 -0.92 0.74 0.34 0.04 0.00 0.00 177.00 177.19 3m81 s ASP 131 N -4.32 6.28 -0.19 6.66 2.15 -1.26 -4.04 116.67 121.95 3m81 s ASP 131 Ca 0.57 0.84 -0.03 0.00 0.43 0.00 0.00 52.55 54.36 3m81 s ASP 131 Cb -0.11 -2.21 0.06 0.00 -0.30 0.00 0.00 42.92 40.36 3m81 s ASP 131 CO 0.52 -0.51 0.05 -0.31 -0.17 0.00 0.00 175.17 174.75 3m81 s TYR 132 N -2.64 0.80 0.61 -5.34 1.51 -1.26 -4.94 117.35 106.09 3m81 s TYR 132 Ca 0.46 -0.71 -0.09 0.00 -1.01 0.00 0.00 57.07 55.72 3m81 s TYR 132 Cb -0.10 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 3m81 s TYR 132 CO 0.43 -0.58 0.98 -1.25 -1.11 0.00 0.00 175.55 174.02 3m81 s PRO 133 N 1.93 3.27 -1.00 -1.71 0.04 -1.26 -4.94 135.00 131.34 3m81 s PRO 133 Ca -0.00 0.45 -0.20 0.00 0.04 0.00 0.00 61.00 61.28 3m81 s PRO 133 Cb -0.17 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 3m81 s PRO 133 CO -0.08 -0.66 1.97 0.39 0.04 0.00 0.00 177.00 178.66 3m81 n GLU 134 N -2.71 1.87 0.00 4.56 -0.58 -1.26 -4.88 120.64 117.65 3m81 n GLU 134 Ca 0.05 -2.18 0.00 0.00 -0.42 0.00 0.00 57.16 54.61 3m81 n GLU 134 Cb 0.56 -3.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.26 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 4.73 0.90 3.74 0.62 0.00 -1.26 -4.84 105.19 109.07 3m81 n GLY 135 Ca 0.49 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 46.58 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 4.71 -0.65 1.61 0.02 -1.26 -5.00 135.00 134.43 3m81 s PRO 136 Ca 0.00 1.41 -0.17 0.00 0.02 0.00 0.00 61.00 62.27 3m81 s PRO 136 Cb 0.00 -3.35 0.14 0.00 0.02 0.00 0.00 34.50 31.31 3m81 s PRO 136 CO 0.00 0.29 0.67 0.08 -0.33 0.00 0.00 177.00 177.72 3m81 s VAL 137 N -0.29 5.13 0.90 3.83 1.01 -1.26 -5.01 120.40 124.71 3m81 s VAL 137 Ca 0.45 -1.55 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 3m81 s VAL 137 Cb -0.24 -4.45 0.09 0.00 0.00 0.00 0.00 36.38 31.78 3m81 s VAL 137 CO 0.30 -1.04 0.88 0.47 0.00 0.00 0.00 175.10 175.70 3m81 n ASP 138 N 5.43 -0.46 -4.52 3.32 8.00 -1.26 -4.89 116.55 122.17 3m81 n ASP 138 Ca -0.04 0.42 -0.57 0.00 0.71 0.00 0.00 54.79 55.32 3m81 n ASP 138 Cb 0.43 -1.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.08 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 -3.08 0.28 -3.79 -0.24 -0.02 -1.26 -4.79 135.00 122.11 3m81 n PRO 139 Ca 0.10 0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.59 3m81 n PRO 139 Cb 0.52 -1.62 -0.07 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.07 0.89 0.30 -0.52 -2.07 -1.26 -4.86 119.66 112.20 3m81 s GLN 140 Ca 0.88 -0.82 -0.27 0.00 -1.82 0.00 0.00 55.36 53.33 3m81 s GLN 140 Cb -1.18 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 31.02 3m81 s GLN 140 CO 0.55 -0.30 0.98 -0.47 -1.32 0.00 0.00 175.29 174.73 3m81 s TYR 141 N -3.61 3.69 -0.16 9.60 5.04 -1.26 -4.98 117.35 125.68 3m81 s TYR 141 Ca 0.03 1.79 -0.38 0.00 -2.44 0.00 0.00 57.07 56.06 3m81 s TYR 141 Cb 0.03 -3.03 -0.18 0.00 0.35 0.00 0.00 41.96 39.13 3m81 s TYR 141 CO -0.10 0.03 1.14 -2.30 -1.34 0.00 0.00 175.55 172.98 3m81 n PRO 142 N 0.83 0.00 0.00 4.97 -0.02 -1.26 -4.68 135.00 134.84 3m81 n PRO 142 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3m81 n PRO 142 Cb 0.48 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 2.16 0.29 0.01 -1.23 0.00 -1.26 -4.86 105.19 100.29 3m81 n GLY 143 Ca 0.22 -2.30 0.07 0.00 0.00 0.00 0.00 46.02 44.01 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 0.00 0.00 0.16 1.61 3.72 -1.26 -4.44 117.46 117.25 3m81 n PHE 144 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3m81 n PHE 144 Cb 0.00 -0.30 0.47 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.16 -0.18 -1.08 2.86 -1.90 -2.94 114.93 111.85 3m81 h MET 145 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3m81 h MET 145 Cb 0.61 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3m81 h MET 145 CO 0.00 0.26 0.00 0.25 1.06 0.00 0.00 176.91 178.48 3m81 n THR 146 N -4.35 0.46 -2.08 2.22 -2.24 -1.26 -4.85 114.28 102.18 3m81 n THR 146 Ca -0.01 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 3m81 n THR 146 Cb 0.21 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 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 3.26 0.00 -0.78 3.52 -1.11 -2.37 118.95 120.48 3m81 s ARG 147 Ca 0.19 1.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.97 3m81 s ARG 147 Cb 0.11 -4.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.31 3m81 s ARG 147 CO 0.16 -1.95 0.00 0.41 -0.81 0.00 0.00 175.30 173.11 3m81 n GLY 148 N 5.40 0.54 0.04 8.12 0.00 -1.26 -1.78 105.19 116.24 3m81 n GLY 148 Ca 0.21 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.86 1.07 1.92 -0.61 3.06 -1.00 -2.69 119.36 118.25 3m81 n ILE 149 Ca 0.00 0.29 0.16 0.00 -2.50 0.00 0.00 62.75 60.70 3m81 n ILE 149 Cb 0.00 -1.13 0.89 0.00 0.54 0.00 0.00 39.64 39.94 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 -1.73 0.19 -3.64 9.51 4.77 -1.26 -4.60 117.00 120.25 3m81 n LEU 150 Ca 0.03 -0.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.90 3m81 n LEU 150 Cb 0.16 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3m81 n LEU 150 CO 0.13 0.03 0.36 -0.62 -1.33 0.00 0.00 177.39 175.96 3m81 s ASP 151 N -2.02 -0.96 0.57 -1.43 -1.08 -1.09 -4.96 116.67 105.69 3m81 s ASP 151 Ca 0.46 1.46 0.27 0.00 -0.52 0.00 0.00 52.55 54.22 3m81 s ASP 151 Cb 0.22 1.66 1.69 0.00 -1.46 0.00 0.00 42.92 45.03 3m81 s ASP 151 CO 0.37 -0.22 2.22 1.55 0.52 0.00 0.00 175.17 179.61 3m81 h PRO 152 N 7.24 0.00 0.00 4.34 0.13 -1.85 -0.84 132.00 141.02 3m81 h PRO 152 Ca -0.26 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.81 3m81 h PRO 152 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3m81 h PRO 152 CO 0.14 0.01 -0.28 0.00 -0.23 0.00 0.00 178.00 177.65 3m81 h ARG 153 N 0.00 0.00 -0.01 0.86 3.08 -1.96 -3.05 114.38 113.31 3m81 h ARG 153 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m81 h ARG 153 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3m81 h ARG 153 CO 0.00 0.28 -0.74 0.25 -1.07 0.00 0.00 179.97 178.69 3m81 n THR 154 N -3.78 0.00 -2.27 2.04 -2.24 -0.39 -4.99 114.28 102.65 3m81 n THR 154 Ca -0.01 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 3m81 n THR 154 Cb 0.37 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.77 3.31 0.25 4.78 5.04 -0.80 -4.34 117.35 122.82 3m81 s TYR 155 Ca 0.13 1.24 -0.05 0.00 -2.44 0.00 0.00 57.07 55.95 3m81 s TYR 155 Cb 0.17 -3.55 0.49 0.00 0.35 0.00 0.00 41.96 39.42 3m81 s TYR 155 CO 0.73 -1.72 1.64 -0.92 -1.34 0.00 0.00 175.55 173.94 3m81 h TYR 156 N 5.66 0.04 0.00 4.97 3.20 -1.64 -1.01 116.97 128.19 3m81 h TYR 156 Ca -0.44 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3m81 h TYR 156 Cb 1.21 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.59 3m81 h TYR 156 CO 0.63 -0.23 0.00 0.66 -1.64 0.00 0.00 178.16 177.58 3m81 n TYR 157 N -5.31 0.79 -0.28 -3.82 4.01 -1.26 -1.81 117.16 109.47 3m81 n TYR 157 Ca 0.15 0.28 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 3m81 n TYR 157 Cb 0.51 -0.96 0.13 0.00 -0.31 0.00 0.00 39.34 38.72 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 0.84 -0.04 -0.72 2.43 -1.48 -0.28 114.38 115.13 3m81 h ARG 158 Ca 0.00 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.96 3m81 h ARG 158 Cb 0.47 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3m81 h ARG 158 CO 0.00 0.56 -0.61 0.00 -1.51 0.00 0.00 179.97 178.40 3m81 h ARG 159 N 0.86 0.49 -0.39 0.20 3.08 -1.47 -2.48 114.38 114.67 3m81 h ARG 159 Ca 0.36 -0.47 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3m81 h ARG 159 Cb 0.20 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3m81 h ARG 159 CO -0.18 1.11 0.23 0.28 -1.07 0.00 0.00 179.97 180.34 3m81 h VAL 160 N 0.04 1.13 -0.47 2.04 2.07 -1.41 -1.09 116.25 118.56 3m81 h VAL 160 Ca -0.06 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 3m81 h VAL 160 Cb 1.29 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3m81 h VAL 160 CO 0.12 0.13 -0.06 -0.26 0.02 0.00 0.00 177.57 177.52 3m81 h PHE 161 N 0.51 0.90 -0.35 1.57 0.04 -1.10 -0.51 116.94 118.00 3m81 h PHE 161 Ca 0.14 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 3m81 h PHE 161 Cb 0.00 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3m81 h PHE 161 CO -0.04 0.86 -0.12 1.15 -0.60 0.00 0.00 178.31 179.56 3m81 h THR 162 N 0.76 1.28 -0.71 -1.55 2.02 -1.25 -1.03 112.91 112.43 3m81 h THR 162 Ca 0.13 -1.21 0.14 0.00 0.77 0.00 0.00 66.41 66.24 3m81 h THR 162 Cb 0.55 1.35 -0.10 0.00 -1.74 0.00 0.00 68.15 68.21 3m81 h THR 162 CO 0.03 0.40 0.22 0.44 0.37 0.00 0.00 175.52 176.98 3m81 h ASP 163 N 0.48 0.13 -0.01 4.18 3.32 -0.88 -2.13 116.42 121.52 3m81 h ASP 163 Ca 0.08 0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 3m81 h ASP 163 Cb 0.64 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 3m81 h ASP 163 CO 0.04 0.04 -0.41 0.00 -1.72 0.00 0.00 179.24 177.19 3m81 h ALA 164 N 1.55 0.87 -0.56 3.45 0.00 -0.42 0.77 119.26 124.92 3m81 h ALA 164 Ca 0.39 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3m81 h ALA 164 Cb 0.61 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3m81 h ALA 164 CO -0.44 0.64 0.04 0.28 0.00 0.00 0.00 179.25 179.77 3m81 h VAL 165 N 0.43 1.26 0.00 0.00 2.07 -0.91 -2.99 116.25 116.11 3m81 h VAL 165 Ca 0.04 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 3m81 h VAL 165 Cb 0.90 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3m81 h VAL 165 CO 0.08 0.38 -0.38 0.03 0.02 0.00 0.00 177.57 177.70 3m81 h ARG 166 N 0.84 0.00 -0.78 1.57 2.47 -0.97 -2.66 114.38 114.85 3m81 h ARG 166 Ca 0.16 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3m81 h ARG 166 Cb 0.49 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.77 3m81 h ARG 166 CO 0.02 0.38 0.47 0.00 0.56 0.00 0.00 179.97 181.40 3m81 h ALA 167 N 1.62 1.36 -0.34 0.04 0.00 -0.71 0.02 119.26 121.26 3m81 h ALA 167 Ca -0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3m81 h ALA 167 Cb 0.87 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3m81 h ALA 167 CO 0.05 0.55 -0.32 0.28 0.00 0.00 0.00 179.25 179.81 3m81 h VAL 168 N 1.07 1.28 -0.56 0.00 2.07 -1.44 -0.02 116.25 118.65 3m81 h VAL 168 Ca 0.28 -1.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.24 3m81 h VAL 168 Cb -0.05 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3m81 h VAL 168 CO -0.05 0.48 -0.00 -0.33 0.02 0.00 0.00 177.57 177.69 3m81 h GLU 169 N 0.62 0.97 -0.14 1.57 4.39 -1.43 -1.15 114.58 119.42 3m81 h GLU 169 Ca 0.07 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 3m81 h GLU 169 Cb 0.85 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 3m81 h GLU 169 CO 0.07 0.96 0.05 0.00 -1.16 0.00 0.00 179.01 178.93 3m81 h ALA 170 N 1.09 0.18 -0.35 3.43 0.00 -0.60 -1.97 119.26 121.03 3m81 h ALA 170 Ca 0.16 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3m81 h ALA 170 Cb 0.53 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3m81 h ALA 170 CO 0.03 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.16 3m81 h ALA 171 N 0.87 0.39 -0.03 0.00 0.00 -0.89 -2.03 119.26 117.58 3m81 h ALA 171 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3m81 h ALA 171 Cb 0.20 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3m81 h ALA 171 CO -0.00 -0.30 0.03 0.00 0.00 0.00 0.00 179.25 178.97 3m81 h ALA 172 N 1.24 1.62 0.00 0.00 0.00 -1.01 -0.54 119.26 120.57 3m81 h ALA 172 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3m81 h ALA 172 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3m81 h ALA 172 CO -0.19 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 177.89 3m81 n SER 173 N -3.91 0.47 -4.70 0.00 3.41 -0.76 -4.77 113.62 103.36 3m81 n SER 173 Ca -0.02 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.73 3m81 n SER 173 Cb 0.12 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 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 -3.11 3.08 0.36 7.33 5.36 -0.21 -4.93 117.98 125.86 3m81 s PHE 174 Ca 0.10 1.01 0.08 0.00 -0.96 0.00 0.00 56.93 57.16 3m81 s PHE 174 Cb 0.13 -3.56 0.79 0.00 -0.34 0.00 0.00 43.02 40.04 3m81 s PHE 174 CO 0.50 -1.96 1.91 -1.35 -1.46 0.00 0.00 175.22 172.85 3m81 h PRO 175 N 7.45 0.70 -0.03 10.12 0.11 -1.88 -1.31 132.00 147.15 3m81 h PRO 175 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3m81 h PRO 175 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3m81 h PRO 175 CO 0.88 0.46 0.00 1.04 -0.21 0.00 0.00 178.00 180.17 3m81 n GLN 176 N -4.52 1.28 -2.74 1.05 6.02 -1.26 -4.84 117.38 112.36 3m81 n GLN 176 Ca 0.15 -0.41 -0.42 0.00 -0.01 0.00 0.00 57.00 56.31 3m81 n GLN 176 Cb 0.37 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 3m81 n GLN 176 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3m81 s VAL 177 N -1.96 4.87 -0.50 5.09 1.01 -0.50 -0.68 120.40 127.72 3m81 s VAL 177 Ca 0.37 1.98 -0.27 0.00 0.00 0.00 0.00 61.98 64.06 3m81 s VAL 177 Cb 0.18 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3m81 s VAL 177 CO 0.30 0.12 1.04 -0.62 0.00 0.00 0.00 175.10 175.95 3m81 s ASP 178 N 1.02 6.51 0.36 3.32 -1.08 0.81 -4.80 116.67 122.81 3m81 s ASP 178 Ca 0.49 0.16 0.26 0.00 -0.52 0.00 0.00 52.55 52.94 3m81 s ASP 178 Cb -0.20 -2.50 1.24 0.00 -1.46 0.00 0.00 42.92 40.00 3m81 s ASP 178 CO 0.24 -1.22 1.79 1.56 0.52 0.00 0.00 175.17 178.06 3m81 h GLN 179 N 9.25 0.00 0.00 4.34 4.20 -1.92 -0.08 115.11 130.89 3m81 h GLN 179 Ca -0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.47 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 1.10 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 179.65 3m81 n GLU 180 N -2.43 0.20 -2.73 1.46 -0.58 -1.26 -4.20 120.64 111.10 3m81 n GLU 180 Ca 0.00 0.17 -0.18 0.00 -0.42 0.00 0.00 57.16 56.73 3m81 n GLU 180 Cb 0.15 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 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 -2.09 2.06 -3.49 3.49 1.74 -0.04 -4.91 116.66 113.41 3m81 n ARG 181 Ca 0.06 -3.85 -0.38 0.00 -0.77 0.00 0.00 57.85 52.91 3m81 n ARG 181 Cb 0.41 -1.75 -0.10 0.00 -1.02 0.00 0.00 32.46 30.01 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 -3.90 5.24 -0.10 0.55 1.01 -1.24 -1.03 121.20 121.73 3m81 s ILE 182 Ca 0.38 0.39 -0.01 0.00 0.00 0.00 0.00 60.65 61.41 3m81 s ILE 182 Cb 0.40 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3m81 s ILE 182 CO -0.07 0.21 -0.07 -0.69 0.00 0.00 0.00 174.94 174.32 3m81 s VAL 183 N 1.83 3.64 -0.15 2.92 1.01 0.59 -0.84 120.40 129.40 3m81 s VAL 183 Ca 0.11 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 3m81 s VAL 183 Cb -0.16 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3m81 s VAL 183 CO 0.10 0.55 0.08 0.27 0.00 0.00 0.00 175.10 176.11 3m81 s ILE 184 N -0.25 5.01 -0.04 2.22 -4.36 -0.07 0.01 121.20 123.72 3m81 s ILE 184 Ca 0.03 0.03 -0.04 0.00 -0.26 0.00 0.00 60.65 60.42 3m81 s ILE 184 Cb -0.13 -3.21 0.01 0.00 1.25 0.00 0.00 42.46 40.38 3m81 s ILE 184 CO 0.03 0.54 0.11 0.00 0.24 0.00 0.00 174.94 175.85 3m81 s ALA 185 N -0.34 -0.26 -0.19 2.27 0.00 0.01 -0.93 121.76 122.31 3m81 s ALA 185 Ca 0.10 0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.98 3m81 s ALA 185 Cb -0.12 -0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.00 3m81 s ALA 185 CO 0.01 -0.07 1.16 0.20 0.00 0.00 0.00 175.76 177.06 3m81 s GLY 186 N -0.13 -0.20 0.10 0.00 0.00 -0.69 -1.16 107.32 105.24 3m81 s GLY 186 Ca -0.02 2.00 0.08 0.00 0.00 0.00 0.00 44.72 46.78 3m81 s GLY 186 CO 0.00 0.81 -0.17 -0.32 0.00 0.00 0.00 173.10 173.42 3m81 s GLY 187 N -1.58 1.68 0.00 0.20 0.00 -1.26 -1.42 107.32 104.93 3m81 s GLY 187 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3m81 s GLY 187 CO -0.04 -1.27 0.00 1.44 0.00 0.00 0.00 173.10 173.23 3m81 n SER 188 N 0.94 0.00 -0.28 1.64 7.64 -0.43 -1.06 113.62 122.07 3m81 n SER 188 Ca -0.16 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.81 3m81 n SER 188 Cb 0.53 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.96 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 0.44 -0.92 1.43 4.15 -1.85 -0.31 115.11 118.05 3m81 h GLN 189 Ca 0.00 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.50 3m81 h GLN 189 Cb 0.00 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 27.51 3m81 h GLN 189 CO 0.00 0.29 0.55 0.78 -1.93 0.00 0.00 178.83 178.53 3m81 h GLY 190 N 0.46 1.46 0.99 2.39 0.00 -1.01 0.46 103.07 107.81 3m81 h GLY 190 Ca 0.47 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 3m81 h GLY 190 CO -0.44 0.15 0.22 -1.33 0.00 0.00 0.00 176.54 175.14 3m81 h GLY 191 N 0.90 0.90 1.01 4.60 0.00 -0.90 0.11 103.07 109.70 3m81 h GLY 191 Ca 0.45 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3m81 h GLY 191 CO -0.25 0.47 0.15 -1.33 0.00 0.00 0.00 176.54 175.57 3m81 h GLY 192 N 0.76 1.00 0.93 4.60 0.00 -0.38 -0.61 103.07 109.37 3m81 h GLY 192 Ca 0.19 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3m81 h GLY 192 CO -0.01 0.58 0.14 -2.22 0.00 0.00 0.00 176.54 175.02 3m81 h ILE 193 N 0.84 1.16 -0.58 2.60 2.04 -0.77 -2.24 117.51 120.57 3m81 h ILE 193 Ca 0.18 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3m81 h ILE 193 Cb 0.33 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3m81 h ILE 193 CO 0.00 0.17 0.28 0.00 0.00 0.00 0.00 178.15 178.60 3m81 h ALA 194 N 0.99 1.40 -0.41 1.87 0.00 -0.46 -0.86 119.26 121.80 3m81 h ALA 194 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3m81 h ALA 194 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3m81 h ALA 194 CO -0.01 0.47 0.06 1.25 0.00 0.00 0.00 179.25 181.02 3m81 h LEU 195 N 0.81 0.65 -0.44 0.00 5.85 -0.97 0.99 115.31 122.20 3m81 h LEU 195 Ca 0.20 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3m81 h LEU 195 Cb 0.09 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3m81 h LEU 195 CO -0.03 0.75 0.28 0.00 -0.34 0.00 0.00 178.44 179.10 3m81 h ALA 196 N 0.93 0.56 -0.42 1.25 0.00 -0.79 -2.80 119.26 117.98 3m81 h ALA 196 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3m81 h ALA 196 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3m81 h ALA 196 CO 0.01 -0.01 0.15 0.28 0.00 0.00 0.00 179.25 179.67 3m81 h VAL 197 N 0.57 1.17 0.00 0.00 2.07 -0.83 -1.79 116.25 117.44 3m81 h VAL 197 Ca 0.17 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3m81 h VAL 197 Cb -0.04 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3m81 h VAL 197 CO -0.05 0.21 -0.02 0.77 0.02 0.00 0.00 177.57 178.50 3m81 h SER 198 N 0.60 0.00 0.22 0.57 4.64 -0.53 0.02 113.55 119.07 3m81 h SER 198 Ca 0.14 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.15 3m81 h SER 198 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.19 3m81 h SER 198 CO -0.01 0.02 -2.07 0.00 -0.87 0.00 0.00 176.83 173.91 3m81 n ALA 199 N -2.19 1.57 -0.05 5.18 0.00 -0.74 -4.36 120.51 119.92 3m81 n ALA 199 Ca -0.02 -1.05 0.01 0.00 0.00 0.00 0.00 53.44 52.38 3m81 n ALA 199 Cb 0.13 -0.50 -0.16 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.85 0.00 -4.84 0.00 4.77 -0.80 -4.88 117.00 108.40 3m81 n LEU 200 Ca -0.25 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.40 3m81 n LEU 200 Cb 1.08 0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 42.33 3m81 n LEU 200 CO 0.44 0.22 0.36 -0.55 -1.33 0.00 0.00 177.39 176.53 3m81 s SER 201 N -4.90 6.85 -0.02 -1.43 0.15 -0.05 -4.98 113.70 109.33 3m81 s SER 201 Ca -0.09 1.24 0.21 0.00 0.70 0.00 0.00 55.95 58.02 3m81 s SER 201 Cb 0.10 -2.35 -0.28 0.00 -1.71 0.00 0.00 66.02 61.77 3m81 s SER 201 CO 0.85 -0.07 0.68 0.29 1.20 0.00 0.00 173.24 176.19 3m81 n LYS 202 N 0.18 0.37 0.01 5.44 4.76 -1.26 -4.53 118.16 123.12 3m81 n LYS 202 Ca -0.00 -0.10 0.07 0.00 -2.87 0.00 0.00 58.31 55.41 3m81 n LYS 202 Cb 0.52 -1.50 -0.12 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 -1.88 0.65 -2.23 1.97 4.76 -1.26 -4.96 118.16 115.20 3m81 n LYS 203 Ca -0.00 -0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 54.96 3m81 n LYS 203 Cb 0.45 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 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 -3.30 3.50 -0.02 7.82 0.00 -1.26 -4.76 121.76 123.74 3m81 s ALA 204 Ca -0.06 1.11 0.10 0.00 0.00 0.00 0.00 51.96 53.11 3m81 s ALA 204 Cb 0.12 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.63 3m81 s ALA 204 CO 0.86 -0.51 0.20 1.63 0.00 0.00 0.00 175.76 177.95 3m81 n LYS 205 N 1.93 0.49 -3.65 0.00 4.76 -0.02 -4.95 118.16 116.71 3m81 n LYS 205 Ca 0.03 -0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 3m81 n LYS 205 Cb 0.43 -1.24 -0.06 0.00 -1.84 0.00 0.00 35.03 32.32 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 -2.65 -1.09 -0.13 7.82 0.00 -1.17 -4.26 121.76 120.27 3m81 s ALA 206 Ca -0.04 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3m81 s ALA 206 Cb 0.06 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3m81 s ALA 206 CO 0.41 -0.45 -0.22 -1.17 0.00 0.00 0.00 175.76 174.33 3m81 s LEU 207 N -1.90 2.12 -0.26 0.00 2.96 0.01 -0.89 118.68 120.73 3m81 s LEU 207 Ca -0.06 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.21 3m81 s LEU 207 Cb -0.01 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.24 3m81 s LEU 207 CO -0.01 0.09 0.01 -0.76 -1.32 0.00 0.00 176.35 174.37 3m81 s LEU 208 N 0.73 3.35 -0.34 -0.68 1.43 -0.11 -0.91 118.68 122.16 3m81 s LEU 208 Ca -0.09 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3m81 s LEU 208 Cb -0.16 -1.80 0.12 0.00 0.03 0.00 0.00 46.19 44.38 3m81 s LEU 208 CO -0.00 -0.10 0.16 0.00 0.23 0.00 0.00 176.35 176.63 3m81 s ASP 210 N 1.38 6.34 -1.08 0.00 1.01 -0.51 -2.30 116.67 121.52 3m81 s ASP 210 Ca 0.13 0.41 -0.14 0.00 0.71 0.00 0.00 52.55 53.65 3m81 s ASP 210 Cb -0.20 -2.08 0.02 0.00 1.01 0.00 0.00 42.92 41.67 3m81 s ASP 210 CO -0.18 0.33 0.27 1.33 0.21 0.00 0.00 175.17 177.13 3m81 n VAL 211 N 2.50 -1.42 -2.13 -1.27 0.24 -0.65 -1.31 118.33 114.30 3m81 n VAL 211 Ca -0.18 -0.43 -0.39 0.00 -2.04 0.00 0.00 64.34 61.30 3m81 n VAL 211 Cb 0.54 -1.26 -0.01 0.00 -1.47 0.00 0.00 33.84 31.64 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 -6.71 3.99 0.42 7.34 0.04 -1.26 -2.62 135.00 136.20 3m81 s PRO 212 Ca 0.20 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.37 3m81 s PRO 212 Cb -0.11 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 3m81 s PRO 212 CO 0.77 -0.44 0.35 0.12 0.04 0.00 0.00 177.00 177.85 3m81 s PHE 213 N -1.30 2.70 -0.88 0.56 5.36 -0.55 -4.66 117.98 119.21 3m81 s PHE 213 Ca 0.57 -0.50 -0.06 0.00 -0.96 0.00 0.00 56.93 55.98 3m81 s PHE 213 Cb -0.36 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.19 3m81 s PHE 213 CO 0.46 -0.08 0.77 1.28 -1.46 0.00 0.00 175.22 176.18 3m81 n LEU 214 N -1.51 -2.93 -4.02 6.12 4.77 -1.26 -3.33 117.00 114.84 3m81 n LEU 214 Ca 0.03 -0.35 -0.22 0.00 -0.03 0.00 0.00 56.01 55.43 3m81 n LEU 214 Cb 0.62 -2.15 -0.16 0.00 -2.33 0.00 0.00 43.42 39.41 3m81 n LEU 214 CO 0.43 0.42 -0.45 0.00 -1.33 0.00 0.00 177.39 176.45 3m81 n HIS 216 N 3.48 -1.88 -0.19 0.00 -0.00 -1.26 -4.65 115.22 110.71 3m81 n HIS 216 Ca -0.20 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.08 3m81 n HIS 216 Cb 0.53 -3.63 0.10 0.00 -0.00 0.00 0.00 29.99 27.00 3m81 n HIS 216 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 3m81 h PHE 217 N -1.85 0.26 -0.48 1.57 0.04 -1.95 -0.32 116.94 114.21 3m81 h PHE 217 Ca -0.65 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.23 3m81 h PHE 217 Cb 1.36 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 39.42 3m81 h PHE 217 CO 0.38 0.01 0.11 -0.09 -0.60 0.00 0.00 178.31 178.11 3m81 h ARG 218 N 0.30 0.24 -0.20 1.51 9.65 -1.99 -1.10 114.38 122.80 3m81 h ARG 218 Ca 0.31 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 59.05 3m81 h ARG 218 Cb 0.43 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3m81 h ARG 218 CO -0.36 0.16 -0.36 -0.09 2.80 0.00 0.00 179.97 182.11 3m81 h ARG 219 N 0.25 0.60 -0.32 0.20 9.65 -1.76 -3.07 114.38 119.92 3m81 h ARG 219 Ca 0.24 -0.38 0.07 0.00 -1.10 0.00 0.00 59.98 58.81 3m81 h ARG 219 Cb 0.31 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.86 3m81 h ARG 219 CO -0.30 0.99 -0.16 0.00 2.80 0.00 0.00 179.97 183.30 3m81 h ALA 220 N 0.60 0.09 0.00 2.80 0.00 -0.46 -1.71 119.26 120.57 3m81 h ALA 220 Ca 0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3m81 h ALA 220 Cb 0.96 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3m81 h ALA 220 CO 0.08 -0.55 -0.16 0.28 0.00 0.00 0.00 179.25 178.91 3m81 h VAL 221 N -0.11 0.69 0.00 0.00 2.07 -1.29 -2.38 116.25 115.23 3m81 h VAL 221 Ca 0.16 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 3m81 h VAL 221 Cb 0.36 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3m81 h VAL 221 CO -0.39 0.15 -0.79 1.56 0.02 0.00 0.00 177.57 178.12 3m81 h GLN 222 N 0.00 0.00 0.06 1.57 4.20 -1.29 -3.40 115.11 116.24 3m81 h GLN 222 Ca -0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 3m81 h GLN 222 Cb 0.39 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 3m81 h GLN 222 CO 0.02 0.24 -2.26 1.28 -0.67 0.00 0.00 178.83 177.44 3m81 n LEU 223 N -2.98 2.78 -4.29 1.46 4.77 -0.71 -4.99 117.00 113.04 3m81 n LEU 223 Ca -0.01 0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 3m81 n LEU 223 Cb 0.69 -0.98 -0.11 0.00 -2.33 0.00 0.00 43.42 40.68 3m81 n LEU 223 CO 0.40 0.89 -0.47 0.68 -1.33 0.00 0.00 177.39 177.57 3m81 s VAL 224 N -2.54 1.61 -0.27 4.08 -7.23 -0.94 -5.02 120.40 110.09 3m81 s VAL 224 Ca -0.29 -1.84 0.14 0.00 -1.81 0.00 0.00 61.98 58.18 3m81 s VAL 224 Cb 0.08 -1.72 0.34 0.00 0.56 0.00 0.00 36.38 35.63 3m81 s VAL 224 CO 0.68 -0.37 1.25 -0.90 -0.31 0.00 0.00 175.10 175.45 3m81 n ASP 225 N 0.37 2.96 -4.85 4.85 5.68 -1.26 -4.67 116.55 119.64 3m81 n ASP 225 Ca -0.14 -2.70 -0.32 0.00 -0.50 0.00 0.00 54.79 51.13 3m81 n ASP 225 Cb 0.57 -0.37 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 3m81 n ASP 225 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3m81 s THR 226 N -2.23 4.57 0.34 2.12 -4.23 -1.26 -4.73 115.64 110.22 3m81 s THR 226 Ca 0.29 1.14 -0.19 0.00 -1.18 0.00 0.00 61.69 61.75 3m81 s THR 226 Cb 0.23 -3.75 -0.10 0.00 1.34 0.00 0.00 72.50 70.22 3m81 s THR 226 CO 0.07 -0.78 0.84 -1.00 -0.54 0.00 0.00 174.62 173.20 3m81 s HIS 227 N -2.74 3.44 -1.68 3.99 3.76 -1.26 -0.80 115.29 120.00 3m81 s HIS 227 Ca 0.58 1.46 0.26 0.00 -0.15 0.00 0.00 55.06 57.22 3m81 s HIS 227 Cb -0.10 -2.71 0.77 0.00 1.11 0.00 0.00 32.58 31.65 3m81 s HIS 227 CO 0.36 0.08 1.58 -2.30 -0.85 0.00 0.00 174.74 173.61 3m81 n PRO 228 N -0.15 0.76 0.18 8.40 -0.02 -1.26 -4.88 135.00 138.03 3m81 n PRO 228 Ca 0.04 -0.43 0.10 0.00 -2.02 0.00 0.00 63.50 61.18 3m81 n PRO 228 Cb 0.53 -1.49 0.63 0.00 -0.02 0.00 0.00 33.50 33.14 3m81 n PRO 228 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3m81 h TYR 229 N 1.06 0.05 0.00 6.00 0.05 -1.84 -2.13 116.97 120.17 3m81 h TYR 229 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3m81 h TYR 229 Cb 0.50 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.22 3m81 h TYR 229 CO 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 178.16 177.14 3m81 h ALA 230 N 1.92 1.00 -0.85 3.88 0.00 -1.26 -2.06 119.26 121.89 3m81 h ALA 230 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3m81 h ALA 230 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3m81 h ALA 230 CO -0.01 0.00 0.40 0.93 0.00 0.00 0.00 179.25 180.57 3m81 h GLU 231 N 0.00 1.23 -0.14 0.00 5.08 -1.66 0.80 114.58 119.88 3m81 h GLU 231 Ca 0.00 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3m81 h GLU 231 Cb 0.13 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3m81 h GLU 231 CO 0.00 0.95 -0.07 0.82 -1.00 0.00 0.00 179.01 179.70 3m81 h ILE 232 N 1.21 1.32 -0.73 3.13 2.04 -1.56 -2.09 117.51 120.83 3m81 h ILE 232 Ca 0.29 -1.11 0.06 0.00 1.00 0.00 0.00 64.86 65.09 3m81 h ILE 232 Cb 0.13 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3m81 h ILE 232 CO -0.03 0.33 0.43 0.74 0.00 0.00 0.00 178.15 179.61 3m81 h THR 233 N -0.03 1.01 -0.64 -0.27 2.02 -1.47 -0.68 112.91 112.84 3m81 h THR 233 Ca 0.03 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 3m81 h THR 233 Cb 0.54 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3m81 h THR 233 CO 0.02 0.14 0.07 0.78 0.37 0.00 0.00 175.52 176.90 3m81 h ASN 234 N 0.79 1.06 -0.42 4.18 2.35 -0.79 0.10 115.58 122.85 3m81 h ASN 234 Ca 0.32 -0.28 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3m81 h ASN 234 Cb 0.16 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3m81 h ASN 234 CO -0.17 1.07 0.24 0.15 -1.65 0.00 0.00 177.43 177.08 3m81 h PHE 235 N 1.00 0.45 -0.43 1.19 3.04 -1.02 -2.61 116.94 118.57 3m81 h PHE 235 Ca 0.19 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.08 3m81 h PHE 235 Cb 0.49 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 3m81 h PHE 235 CO 0.04 0.26 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.49 3m81 h LEU 236 N 0.49 0.68 -1.31 0.59 3.38 -0.60 0.17 115.31 118.72 3m81 h LEU 236 Ca 0.17 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3m81 h LEU 236 Cb 0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 3m81 h LEU 236 CO -0.08 0.77 0.55 0.11 0.09 0.00 0.00 178.44 179.88 3m81 h LYS 237 N 0.66 0.70 0.00 1.13 1.57 -0.43 -3.24 116.57 116.96 3m81 h LYS 237 Ca 0.13 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 3m81 h LYS 237 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3m81 h LYS 237 CO 0.02 0.46 -0.81 1.15 -0.57 0.00 0.00 179.45 179.70 3m81 h THR 238 N 0.72 0.55 -0.86 -0.16 2.02 -1.30 -3.41 112.91 110.47 3m81 h THR 238 Ca 0.41 -1.65 -0.74 0.00 0.77 0.00 0.00 66.41 65.21 3m81 h THR 238 Cb 0.59 1.27 -0.11 0.00 -1.74 0.00 0.00 68.15 68.15 3m81 h THR 238 CO -0.17 0.18 2.45 1.41 0.37 0.00 0.00 175.52 179.76 3m81 n HIS 239 N -4.54 3.14 0.34 3.16 8.25 0.02 -4.79 115.22 120.80 3m81 n HIS 239 Ca -0.19 -2.86 0.14 0.00 -0.26 0.00 0.00 57.72 54.55 3m81 n HIS 239 Cb 0.46 -2.17 0.59 0.00 1.12 0.00 0.00 29.99 29.99 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 5.82 0.00 -0.20 -0.41 3.08 -1.80 -1.24 114.38 119.63 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 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3m81 h ARG 240 CO 1.73 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 180.23 3m81 n ASP 241 N -2.50 1.47 -0.12 7.04 5.75 -1.26 -4.39 116.55 122.55 3m81 n ASP 241 Ca 0.01 -1.80 0.01 0.00 -0.01 0.00 0.00 54.79 53.00 3m81 n ASP 241 Cb 0.22 -0.13 0.03 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.23 2.97 0.01 0.11 4.76 -0.47 -4.78 118.16 121.00 3m81 n LYS 242 Ca 0.13 -1.61 -0.10 0.00 -2.87 0.00 0.00 58.31 53.87 3m81 n LYS 242 Cb 0.27 -1.05 -0.03 0.00 -1.84 0.00 0.00 35.03 32.38 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 0.37 -0.26 -0.45 1.97 4.81 -1.77 -0.29 114.58 118.97 3m81 h GLU 243 Ca 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3m81 h GLU 243 Cb 0.55 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3m81 h GLU 243 CO 0.00 -0.17 0.15 1.49 -0.73 0.00 0.00 179.01 179.75 3m81 h GLU 244 N -0.27 0.69 -0.72 1.92 4.81 -1.95 -2.26 114.58 116.79 3m81 h GLU 244 Ca 0.09 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3m81 h GLU 244 Cb 0.41 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3m81 h GLU 244 CO -0.27 0.65 0.46 0.82 -0.73 0.00 0.00 179.01 179.94 3m81 h ILE 245 N 0.58 1.20 -0.05 2.32 2.04 -1.84 -0.96 117.51 120.81 3m81 h ILE 245 Ca 0.15 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3m81 h ILE 245 Cb 0.24 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3m81 h ILE 245 CO -0.01 0.20 0.03 0.58 0.00 0.00 0.00 178.15 178.95 3m81 h VAL 246 N 0.99 1.06 0.00 1.67 2.07 -0.78 -1.19 116.25 120.07 3m81 h VAL 246 Ca 0.26 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 3m81 h VAL 246 Cb -0.07 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3m81 h VAL 246 CO -0.05 0.05 -0.53 -0.26 0.02 0.00 0.00 177.57 176.80 3m81 h PHE 247 N 0.00 0.00 -0.11 1.57 0.04 -1.27 -1.42 116.94 115.75 3m81 h PHE 247 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3m81 h PHE 247 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3m81 h PHE 247 CO -0.05 0.53 0.06 -0.09 -0.60 0.00 0.00 178.31 178.16 3m81 h ARG 248 N 0.00 0.16 -0.11 1.51 2.43 -0.89 -1.72 114.38 115.75 3m81 h ARG 248 Ca -0.01 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3m81 h ARG 248 Cb 1.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3m81 h ARG 248 CO 0.07 0.18 0.03 1.15 -1.51 0.00 0.00 179.97 179.89 3m81 h THR 249 N 0.09 0.97 0.00 0.20 2.02 -0.86 -2.96 112.91 112.37 3m81 h THR 249 Ca 0.04 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 3m81 h THR 249 Cb 0.07 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3m81 h THR 249 CO -0.01 0.02 -0.18 -0.07 0.37 0.00 0.00 175.52 175.65 3m81 h LEU 250 N 0.09 0.00 -1.75 2.58 3.38 -1.08 -2.03 115.31 116.49 3m81 h LEU 250 Ca 0.05 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.12 3m81 h LEU 250 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3m81 h LEU 250 CO -0.06 0.18 0.36 0.77 0.09 0.00 0.00 178.44 179.78 3m81 h SER 251 N 0.00 0.25 0.76 -0.43 4.64 -1.13 0.58 113.55 118.21 3m81 h SER 251 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m81 h SER 251 Cb 0.35 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3m81 h SER 251 CO 0.02 0.15 0.00 -1.22 -0.87 0.00 0.00 176.83 174.91 3m81 n TYR 252 N -4.46 0.58 -0.02 4.77 4.02 -0.76 -3.49 117.16 117.80 3m81 n TYR 252 Ca 0.08 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.19 3m81 n TYR 252 Cb 0.39 -0.85 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 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 -2.02 0.00 -2.55 -0.72 3.72 0.15 -5.03 117.46 111.01 3m81 n PHE 253 Ca 0.03 -0.32 -0.42 0.00 -0.05 0.00 0.00 57.45 56.68 3m81 n PHE 253 Cb 0.24 -0.03 -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 -0.65 7.16 0.48 4.37 -1.08 -0.93 -4.90 116.67 121.12 3m81 s ASP 254 Ca 0.00 1.77 0.23 0.00 -0.52 0.00 0.00 52.55 54.03 3m81 s ASP 254 Cb 0.00 -2.56 1.27 0.00 -1.46 0.00 0.00 42.92 40.16 3m81 s ASP 254 CO 0.00 -0.47 1.90 1.23 0.52 0.00 0.00 175.17 178.35 3m81 h GLY 255 N 7.58 0.41 0.95 2.66 0.00 -0.75 -1.94 103.07 111.98 3m81 h GLY 255 Ca -0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3m81 h GLY 255 CO 0.83 0.00 0.15 -2.08 0.00 0.00 0.00 176.54 175.45 3m81 h VAL 256 N 0.20 1.13 -0.25 4.60 2.07 -1.91 0.14 116.25 122.23 3m81 h VAL 256 Ca 0.40 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 3m81 h VAL 256 Cb 1.27 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3m81 h VAL 256 CO -0.08 0.13 -0.18 0.78 0.02 0.00 0.00 177.57 178.24 3m81 h ASN 257 N 0.33 0.43 -0.15 0.57 2.35 -1.70 -2.23 115.58 115.18 3m81 h ASN 257 Ca 0.10 -0.12 -0.20 0.00 -0.55 0.00 0.00 56.30 55.53 3m81 h ASN 257 Cb 0.08 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3m81 h ASN 257 CO -0.01 0.63 -0.64 -0.26 -1.65 0.00 0.00 177.43 175.49 3m81 h PHE 258 N 0.40 0.99 -0.69 1.19 0.04 -1.30 -3.24 116.94 114.33 3m81 h PHE 258 Ca 0.07 -0.39 0.02 0.00 2.80 0.00 0.00 57.97 60.48 3m81 h PHE 258 Cb 0.54 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 3m81 h PHE 258 CO 0.02 1.20 0.44 0.00 -0.60 0.00 0.00 178.31 179.36 3m81 h ALA 259 N 0.71 0.89 0.00 2.45 0.00 -0.29 -0.84 119.26 122.18 3m81 h ALA 259 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3m81 h ALA 259 Cb 1.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3m81 h ALA 259 CO 0.13 0.22 0.02 0.00 0.00 0.00 0.00 179.25 179.62 3m81 h ALA 260 N 1.29 1.01 0.00 0.00 0.00 -1.40 -1.91 119.26 118.25 3m81 h ALA 260 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3m81 h ALA 260 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3m81 h ALA 260 CO -0.10 -0.01 -1.15 0.54 0.00 0.00 0.00 179.25 178.53 3m81 n ARG 261 N -2.59 1.20 -2.73 0.00 1.74 -0.39 -4.59 116.66 109.30 3m81 n ARG 261 Ca -0.02 -0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.60 3m81 n ARG 261 Cb 0.06 -1.32 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 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 -2.78 3.33 -0.04 7.54 0.00 -0.77 -4.84 121.76 124.20 3m81 s ALA 262 Ca 0.01 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.62 3m81 s ALA 262 Cb 0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3m81 s ALA 262 CO 0.68 0.18 0.07 1.63 0.00 0.00 0.00 175.76 178.31 3m81 n LYS 263 N 1.36 2.56 -2.49 0.00 4.76 -1.26 -1.71 118.16 121.38 3m81 n LYS 263 Ca -0.01 -0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.08 3m81 n LYS 263 Cb 0.47 -0.87 -0.04 0.00 -1.84 0.00 0.00 35.03 32.75 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 -1.77 4.16 0.57 -0.18 -4.36 -1.26 -4.25 121.20 114.12 3m81 s ILE 264 Ca -0.00 1.20 -0.20 0.00 -0.26 0.00 0.00 60.65 61.39 3m81 s ILE 264 Cb 0.01 -3.55 -0.04 0.00 1.25 0.00 0.00 42.46 40.13 3m81 s ILE 264 CO 0.09 -0.43 1.26 -2.16 0.24 0.00 0.00 174.94 173.94 3m81 s PRO 265 N -3.60 3.05 -0.03 0.37 0.04 -1.26 -4.29 135.00 129.27 3m81 s PRO 265 Ca 0.63 1.98 -0.06 0.00 0.04 0.00 0.00 61.00 63.59 3m81 s PRO 265 Cb -0.12 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.36 3m81 s PRO 265 CO 0.24 -1.19 0.14 0.00 0.04 0.00 0.00 177.00 176.23 3m81 s ALA 266 N -1.47 -0.33 -0.25 8.56 0.00 -0.50 -0.81 121.76 126.96 3m81 s ALA 266 Ca 0.75 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3m81 s ALA 266 Cb -0.34 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.70 3m81 s ALA 266 CO 0.38 -0.11 -0.09 -1.17 0.00 0.00 0.00 175.76 174.77 3m81 s LEU 267 N -0.42 3.19 0.32 0.00 2.96 -0.08 -1.87 118.68 122.78 3m81 s LEU 267 Ca -0.05 -1.06 0.03 0.00 -0.22 0.00 0.00 54.13 52.83 3m81 s LEU 267 Cb -0.03 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3m81 s LEU 267 CO 0.01 -0.14 0.49 -0.36 -1.32 0.00 0.00 176.35 175.02 3m81 s PHE 268 N 1.24 3.38 0.04 5.38 0.40 0.27 -1.37 117.98 127.32 3m81 s PHE 268 Ca -0.03 0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.41 3m81 s PHE 268 Cb -0.18 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 3m81 s PHE 268 CO -0.06 0.14 -0.01 -1.54 0.70 0.00 0.00 175.22 174.45 3m81 s SER 269 N -4.07 0.37 -0.09 1.36 1.04 -0.97 -1.45 113.70 109.88 3m81 s SER 269 Ca 0.40 -0.78 -0.17 0.00 0.48 0.00 0.00 55.95 55.89 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 0.33 -0.49 0.41 0.54 0.98 0.00 0.00 173.24 175.01 3m81 s VAL 270 N -2.96 0.02 -0.16 5.02 0.11 -0.79 -1.63 120.40 120.02 3m81 s VAL 270 Ca -0.02 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.84 3m81 s VAL 270 Cb 0.01 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.20 3m81 s VAL 270 CO -0.06 -0.10 -0.12 -0.83 -3.33 0.00 0.00 175.10 170.66 3m81 s GLY 271 N -0.52 1.54 0.19 6.54 0.00 -1.26 -0.91 107.32 112.90 3m81 s GLY 271 Ca -0.06 -0.99 0.24 0.00 0.00 0.00 0.00 44.72 43.91 3m81 s GLY 271 CO 0.03 0.01 1.73 1.04 0.00 0.00 0.00 173.10 175.90 3m81 n LEU 272 N 3.94 0.59 -0.90 0.66 4.77 -0.83 -1.69 117.00 123.54 3m81 n LEU 272 Ca -0.18 0.60 0.08 0.00 -0.03 0.00 0.00 56.01 56.48 3m81 n LEU 272 Cb 0.52 -0.48 0.24 0.00 -2.33 0.00 0.00 43.42 41.37 3m81 n LEU 272 CO 0.30 -0.35 0.70 0.23 -1.33 0.00 0.00 177.39 176.93 3m81 n MET 273 N -2.10 3.05 -2.24 3.23 2.81 -0.59 -4.61 117.12 116.66 3m81 n MET 273 Ca 0.04 -2.62 -0.43 0.00 -1.81 0.00 0.00 57.70 52.88 3m81 n MET 273 Cb 0.30 -1.69 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.54 6.38 0.00 7.83 -1.08 -0.68 -4.41 116.67 123.17 3m81 s ASP 274 Ca 0.37 1.26 0.23 0.00 -0.52 0.00 0.00 52.55 53.90 3m81 s ASP 274 Cb 0.28 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.61 3m81 s ASP 274 CO 0.12 -1.32 1.39 -0.46 0.52 0.00 0.00 175.17 175.42 3m81 n ASN 275 N 8.58 3.22 -0.11 -0.34 6.94 -1.26 -3.69 115.26 128.60 3m81 n ASN 275 Ca 0.18 -1.97 -0.24 0.00 -0.02 0.00 0.00 54.58 52.52 3m81 n ASN 275 Cb 0.46 -0.18 -0.11 0.00 -2.36 0.00 0.00 39.78 37.59 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 1.37 1.56 -3.93 1.53 2.08 -1.26 -4.59 119.36 116.12 3m81 n ILE 276 Ca 0.18 -0.26 -0.30 0.00 0.56 0.00 0.00 62.75 62.92 3m81 n ILE 276 Cb 0.59 -1.91 -0.14 0.00 -0.75 0.00 0.00 39.64 37.44 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 -0.36 2.97 0.26 0.00 0.02 -1.24 -4.75 135.00 131.89 3m81 s PRO 278 Ca 0.18 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 3m81 s PRO 278 Cb -0.24 -2.06 0.55 0.00 0.02 0.00 0.00 34.50 32.77 3m81 s PRO 278 CO -0.01 -1.27 1.74 -1.35 -0.33 0.00 0.00 177.00 175.78 3m81 h PRO 279 N 1.08 0.52 -0.57 5.54 0.11 -1.79 -1.34 132.00 135.55 3m81 h PRO 279 Ca -0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3m81 h PRO 279 Cb 1.31 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3m81 h PRO 279 CO 0.56 0.34 0.31 0.66 -0.21 0.00 0.00 178.00 179.66 3m81 h SER 280 N 0.53 0.69 -0.24 -2.05 4.64 -1.93 0.23 113.55 115.43 3m81 h SER 280 Ca 0.47 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.63 3m81 h SER 280 Cb 0.72 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3m81 h SER 280 CO -0.40 0.56 -0.29 0.71 -0.87 0.00 0.00 176.83 176.53 3m81 h THR 281 N 0.78 1.32 -0.18 2.95 1.35 -1.58 -1.47 112.91 116.08 3m81 h THR 281 Ca 0.20 -1.48 -0.01 0.00 -0.55 0.00 0.00 66.41 64.57 3m81 h THR 281 Cb 0.02 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 3m81 h THR 281 CO -0.03 0.46 0.07 0.58 -0.25 0.00 0.00 175.52 176.35 3m81 h VAL 282 N 0.32 1.17 -0.40 6.82 2.07 -1.11 -2.60 116.25 122.52 3m81 h VAL 282 Ca 0.03 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 3m81 h VAL 282 Cb 0.86 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3m81 h VAL 282 CO 0.07 0.16 -0.01 -0.26 0.02 0.00 0.00 177.57 177.55 3m81 h PHE 283 N 0.13 0.68 -0.58 1.57 0.04 -1.01 0.14 116.94 117.91 3m81 h PHE 283 Ca 0.06 -0.08 0.07 0.00 2.80 0.00 0.00 57.97 60.81 3m81 h PHE 283 Cb 0.19 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 3m81 h PHE 283 CO -0.01 0.66 0.27 0.00 -0.60 0.00 0.00 178.31 178.63 3m81 h ALA 284 N 1.38 0.76 0.12 2.45 0.00 -1.16 0.42 119.26 123.23 3m81 h ALA 284 Ca 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3m81 h ALA 284 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3m81 h ALA 284 CO 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.11 3m81 h ALA 285 N 1.34 -0.16 -0.41 0.00 0.00 -0.99 -2.58 119.26 116.46 3m81 h ALA 285 Ca 0.27 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3m81 h ALA 285 Cb 0.24 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3m81 h ALA 285 CO -0.22 -0.46 0.27 -0.92 0.00 0.00 0.00 179.25 177.92 3m81 h TYR 286 N -0.42 0.51 -0.69 0.00 3.20 -0.37 -1.43 116.97 117.76 3m81 h TYR 286 Ca -0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3m81 h TYR 286 Cb 0.34 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3m81 h TYR 286 CO 0.01 0.32 0.38 -0.91 -1.64 0.00 0.00 178.16 176.32 3m81 h ASN 287 N 0.55 0.85 1.07 -2.11 2.35 -0.19 -1.95 115.58 116.16 3m81 h ASN 287 Ca 0.15 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3m81 h ASN 287 Cb -0.06 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.10 3m81 h ASN 287 CO -0.04 0.69 -0.09 -1.22 -1.65 0.00 0.00 177.43 175.12 3m81 n TYR 288 N -4.37 0.29 -1.69 1.19 4.01 -0.98 -4.89 117.16 110.74 3m81 n TYR 288 Ca 0.07 0.09 -0.43 0.00 -0.16 0.00 0.00 57.90 57.47 3m81 n TYR 288 Cb 0.10 -0.61 -0.03 0.00 -0.31 0.00 0.00 39.34 38.49 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 -1.75 2.60 1.14 -0.72 9.36 -0.56 -3.28 117.16 123.96 3m81 n TYR 289 Ca 0.06 -0.16 0.12 0.00 3.32 0.00 0.00 57.90 61.24 3m81 n TYR 289 Cb 0.37 -2.74 0.28 0.00 -0.63 0.00 0.00 39.34 36.62 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 5.82 3.34 -2.02 2.98 0.00 -0.88 -4.90 120.51 124.85 3m81 n ALA 290 Ca 0.18 -0.42 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 3m81 n ALA 290 Cb 0.37 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.66 1.78 0.37 0.00 0.00 -0.70 -4.74 107.32 101.38 3m81 s GLY 291 Ca 0.19 -1.91 -0.28 0.00 0.00 0.00 0.00 44.72 42.72 3m81 s GLY 291 CO 0.59 -1.50 1.47 -4.14 0.00 0.00 0.00 173.10 169.52 3m81 s PRO 292 N -4.71 4.14 -0.00 2.90 0.02 -1.26 -4.88 135.00 131.21 3m81 s PRO 292 Ca 0.61 2.53 -0.20 0.00 0.02 0.00 0.00 61.00 63.97 3m81 s PRO 292 Cb -0.07 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.51 3m81 s PRO 292 CO 0.39 -0.49 0.43 -1.59 -0.33 0.00 0.00 177.00 175.41 3m81 s LYS 293 N -2.06 0.85 0.04 5.54 -2.85 -1.26 -1.42 119.74 118.59 3m81 s LYS 293 Ca 0.52 -0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 3m81 s LYS 293 Cb -0.46 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 35.67 3m81 s LYS 293 CO 0.62 -0.27 -0.04 -1.21 0.10 0.00 0.00 175.35 174.55 3m81 s GLU 294 N -1.73 0.52 -0.03 1.78 2.02 -0.78 -4.98 118.70 115.50 3m81 s GLU 294 Ca -0.10 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 53.95 3m81 s GLU 294 Cb -0.02 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.28 3m81 s GLU 294 CO 0.03 -0.06 -0.09 -1.50 0.02 0.00 0.00 175.26 173.67 3m81 s ILE 295 N -2.72 0.77 -0.22 -1.63 2.07 -1.26 -0.57 121.20 117.64 3m81 s ILE 295 Ca -0.03 -0.34 -0.10 0.00 -1.41 0.00 0.00 60.65 58.78 3m81 s ILE 295 Cb -0.01 -0.69 -0.05 0.00 0.13 0.00 0.00 42.46 41.84 3m81 s ILE 295 CO -0.05 0.25 0.13 -0.13 -1.91 0.00 0.00 174.94 173.22 3m81 s ARG 296 N 0.30 4.05 -0.20 3.50 1.81 -0.53 -4.97 118.95 122.91 3m81 s ARG 296 Ca -0.05 -0.29 -0.05 0.00 -1.72 0.00 0.00 55.73 53.62 3m81 s ARG 296 Cb -0.10 -3.43 -0.02 0.00 -0.45 0.00 0.00 34.95 30.95 3m81 s ARG 296 CO 0.01 0.14 -0.00 0.42 -0.68 0.00 0.00 175.30 175.18 3m81 s ILE 297 N 0.81 3.93 -0.47 1.52 1.01 -1.26 -1.88 121.20 124.85 3m81 s ILE 297 Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 3m81 s ILE 297 Cb -0.13 -2.78 0.13 0.00 0.01 0.00 0.00 42.46 39.69 3m81 s ILE 297 CO 0.02 0.43 0.25 -0.31 0.00 0.00 0.00 174.94 175.34 3m81 s TYR 298 N 0.98 3.51 0.35 3.97 2.02 -0.08 -4.98 117.35 123.13 3m81 s TYR 298 Ca 0.01 -2.70 0.23 0.00 -0.37 0.00 0.00 57.07 54.24 3m81 s TYR 298 Cb -0.14 -3.12 1.14 0.00 -0.40 0.00 0.00 41.96 39.44 3m81 s TYR 298 CO 0.02 -0.90 1.96 -1.35 -1.57 0.00 0.00 175.55 173.70 3m81 h PRO 299 N 7.48 0.00 -0.02 -1.71 0.11 -1.96 -2.15 132.00 133.75 3m81 h PRO 299 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3m81 h PRO 299 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3m81 h PRO 299 CO 0.67 0.21 -0.08 0.66 -0.21 0.00 0.00 178.00 179.25 3m81 n TYR 300 N -3.72 0.00 -3.46 0.65 4.01 -1.26 -4.15 117.16 109.23 3m81 n TYR 300 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 3m81 n TYR 300 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.65 6.64 0.00 7.72 -0.87 -1.07 -4.82 114.94 120.89 3m81 s ASN 301 Ca 0.20 0.89 0.00 0.00 -1.57 0.00 0.00 52.86 52.38 3m81 s ASN 301 Cb 0.15 -2.21 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 3m81 s ASN 301 CO 0.28 0.00 0.00 -3.20 -2.57 0.00 0.00 177.10 171.61 3m81 n ASN 302 N 0.18 0.00 0.19 -1.22 2.85 -1.26 -1.54 115.26 114.46 3m81 n ASN 302 Ca -0.02 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.59 3m81 n ASN 302 Cb 0.52 0.00 0.59 0.00 1.24 0.00 0.00 39.78 42.14 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 -2.06 115.15 115.13 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 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 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 -0.54 2.83 0.06 1.06 0.00 -0.78 -2.22 105.19 105.59 3m81 n GLY 305 Ca -0.00 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.97 7.00 -0.02 0.00 -1.26 -4.80 105.19 105.14 3m81 n GLY 306 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 1.11 2.47 0.24 -0.02 0.00 -0.94 -1.54 105.19 106.50 3m81 n GLY 307 Ca 0.20 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 1.22 0.00 -0.63 1.61 0.02 -1.94 -1.69 113.55 112.14 3m81 h SER 308 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m81 h SER 308 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3m81 h SER 308 CO 0.00 0.14 0.40 -0.26 -1.14 0.00 0.00 176.83 175.97 3m81 h PHE 309 N 0.00 0.80 -0.25 3.45 -1.00 -1.70 -2.34 116.94 115.90 3m81 h PHE 309 Ca -0.00 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.73 3m81 h PHE 309 Cb 0.27 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 3m81 h PHE 309 CO 0.00 0.52 -0.09 0.37 -1.61 0.00 0.00 178.31 177.50 3m81 h GLN 310 N 0.85 0.40 -0.46 1.51 5.75 -0.74 -2.36 115.11 120.06 3m81 h GLN 310 Ca 0.23 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 3m81 h GLN 310 Cb -0.07 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 3m81 h GLN 310 CO -0.05 0.51 0.25 0.00 -2.65 0.00 0.00 178.83 176.89 3m81 h ALA 311 N 1.53 0.60 -0.53 3.38 0.00 -1.18 -0.30 119.26 122.75 3m81 h ALA 311 Ca 0.08 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3m81 h ALA 311 Cb 0.40 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3m81 h ALA 311 CO 0.02 0.13 0.25 0.28 0.00 0.00 0.00 179.25 179.92 3m81 h VAL 312 N 0.61 0.91 -0.29 0.00 2.07 -1.16 -1.77 116.25 116.63 3m81 h VAL 312 Ca 0.16 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3m81 h VAL 312 Cb 0.07 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3m81 h VAL 312 CO -0.02 0.09 0.07 -0.33 0.02 0.00 0.00 177.57 177.39 3m81 h GLU 313 N 0.47 0.41 -0.21 1.57 4.39 -0.89 -2.17 114.58 118.15 3m81 h GLU 313 Ca 0.24 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.72 3m81 h GLU 313 Cb 0.19 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3m81 h GLU 313 CO -0.19 0.39 -0.51 1.96 -1.16 0.00 0.00 179.01 179.49 3m81 h GLN 314 N 0.41 0.71 -0.31 2.33 4.20 -0.26 0.66 115.11 122.86 3m81 h GLN 314 Ca 0.10 -0.49 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 3m81 h GLN 314 Cb 0.16 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3m81 h GLN 314 CO -0.00 1.11 0.19 0.28 -0.67 0.00 0.00 178.83 179.74 3m81 h VAL 315 N 0.43 1.10 -0.51 -0.54 2.07 -1.22 -2.05 116.25 115.53 3m81 h VAL 315 Ca -0.00 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 3m81 h VAL 315 Cb 1.12 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3m81 h VAL 315 CO 0.11 0.10 -0.07 0.11 0.02 0.00 0.00 177.57 177.84 3m81 h LYS 316 N 0.41 0.91 -0.20 1.57 1.57 -1.31 -1.93 116.57 117.59 3m81 h LYS 316 Ca 0.11 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3m81 h LYS 316 Cb -0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3m81 h LYS 316 CO -0.02 0.95 0.11 0.35 -0.57 0.00 0.00 179.45 180.27 3m81 h PHE 317 N 0.83 0.28 -0.27 -1.35 3.57 -0.73 -2.74 116.94 116.53 3m81 h PHE 317 Ca 0.14 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 3m81 h PHE 317 Cb 0.58 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 3m81 h PHE 317 CO 0.04 0.26 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.05 3m81 h LEU 318 N 0.22 0.69 -0.25 0.59 3.38 -1.28 -0.80 115.31 117.86 3m81 h LEU 318 Ca 0.07 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.64 3m81 h LEU 318 Cb 0.07 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 3m81 h LEU 318 CO -0.01 1.01 -0.26 0.50 0.09 0.00 0.00 178.44 179.77 3m81 h LYS 319 N 0.37 -0.26 -0.74 1.13 3.64 -1.37 -0.60 116.57 118.74 3m81 h LYS 319 Ca 0.04 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3m81 h LYS 319 Cb 0.81 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3m81 h LYS 319 CO 0.06 -0.17 0.26 -0.22 -2.27 0.00 0.00 179.45 177.11 3m81 h LYS 320 N -0.26 1.13 -0.58 1.90 3.64 -1.47 -2.66 116.57 118.26 3m81 h LYS 320 Ca 0.14 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3m81 h LYS 320 Cb 0.48 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3m81 h LYS 320 CO -0.40 0.94 0.29 1.25 -2.27 0.00 0.00 179.45 179.27 3m81 h LEU 321 N 1.09 0.74 -1.35 5.20 5.85 -0.44 -3.05 115.31 123.36 3m81 h LEU 321 Ca 0.24 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3m81 h LEU 321 Cb 0.27 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3m81 h LEU 321 CO -0.01 0.65 0.00 0.49 -0.34 0.00 0.00 178.44 179.22 3m81 n PHE 322 N -4.56 0.33 0.03 1.25 3.72 -0.30 -2.29 117.46 115.64 3m81 n PHE 322 Ca 0.03 -0.17 0.01 0.00 -0.05 0.00 0.00 57.45 57.28 3m81 n PHE 322 Cb 0.11 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.56 0.63 0.00 -1.08 1.02 -1.02 -5.07 120.64 115.68 3m81 n GLU 323 Ca 0.16 0.16 0.09 0.00 -0.02 0.00 0.00 57.16 57.55 3m81 n GLU 323 Cb 0.36 -1.76 0.52 0.00 -0.02 0.00 0.00 31.44 30.54 3m81 n GLU 323 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94