#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 0.10 -3.12 1.38 -1.74 -1.26 -4.99 117.46 107.82 3m81 n PHE 4 Ca 0.00 0.03 -0.11 0.00 -0.56 0.00 0.00 57.45 56.81 3m81 n PHE 4 Cb 0.00 -0.26 0.03 0.00 1.52 0.00 0.00 39.48 40.77 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 -1.78 1.23 -4.59 5.98 -0.08 -1.26 -5.05 116.55 110.99 3m81 n ASP 5 Ca 0.02 -1.83 -0.41 0.00 -1.51 0.00 0.00 54.79 51.05 3m81 n ASP 5 Cb 0.41 -0.19 0.01 0.00 2.34 0.00 0.00 41.12 43.68 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 2.23 -4.71 -2.67 4.77 -1.26 -4.94 117.00 110.42 3m81 n LEU 6 Ca 0.07 1.01 -0.34 0.00 -0.03 0.00 0.00 56.01 56.73 3m81 n LEU 6 Cb 0.32 -1.32 0.11 0.00 -2.33 0.00 0.00 43.42 40.20 3m81 n LEU 6 CO 0.20 -1.70 0.80 -2.16 -1.33 0.00 0.00 177.39 173.20 3m81 s PRO 7 N -1.96 1.92 0.35 3.23 0.04 -1.26 -4.66 135.00 132.66 3m81 s PRO 7 Ca 0.64 1.79 0.04 0.00 0.04 0.00 0.00 61.00 63.51 3m81 s PRO 7 Cb -0.57 -1.80 0.70 0.00 0.04 0.00 0.00 34.50 32.87 3m81 s PRO 7 CO 0.57 -2.01 1.97 1.25 0.04 0.00 0.00 177.00 178.82 3m81 h LEU 8 N -0.53 0.70 -0.83 -3.56 5.85 -1.99 -0.60 115.31 114.35 3m81 h LEU 8 Ca -0.47 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 3m81 h LEU 8 Cb 1.30 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 3m81 h LEU 8 CO 0.48 0.47 0.41 -0.33 -0.34 0.00 0.00 178.44 179.13 3m81 h GLU 9 N 0.80 1.20 -0.08 1.25 3.07 -2.00 -1.66 114.58 117.17 3m81 h GLU 9 Ca 0.29 -0.17 -0.21 0.00 -0.50 0.00 0.00 59.36 58.77 3m81 h GLU 9 Cb 0.15 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 3m81 h GLU 9 CO -0.09 0.92 -0.80 0.93 -1.40 0.00 0.00 179.01 178.56 3m81 h GLU 10 N 1.18 0.52 -0.99 2.33 5.08 -1.63 -3.19 114.58 117.87 3m81 h GLU 10 Ca 0.29 -0.45 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3m81 h GLU 10 Cb 0.11 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3m81 h GLU 10 CO -0.04 1.09 0.64 -0.07 -1.00 0.00 0.00 179.01 179.63 3m81 h LEU 11 N 0.34 1.04 -1.66 1.33 3.38 -0.87 -1.50 115.31 117.37 3m81 h LEU 11 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3m81 h LEU 11 Cb 1.41 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3m81 h LEU 11 CO 0.15 0.68 0.00 0.11 0.09 0.00 0.00 178.44 179.46 3m81 h LYS 12 N 1.19 0.00 -0.11 1.13 1.57 -1.29 -2.60 116.57 116.46 3m81 h LYS 12 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3m81 h LYS 12 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3m81 h LYS 12 CO -0.16 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.35 3m81 n LYS 13 N -2.83 1.20 -2.44 3.15 5.02 -0.73 -5.00 118.16 116.54 3m81 n LYS 13 Ca -0.00 -1.42 -0.43 0.00 -2.02 0.00 0.00 58.31 54.44 3m81 n LYS 13 Cb 0.21 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.96 2.59 -0.48 2.13 5.04 -0.64 -4.92 117.35 120.10 3m81 s TYR 14 Ca 0.16 0.75 0.06 0.00 -2.44 0.00 0.00 57.07 55.60 3m81 s TYR 14 Cb 0.10 -4.22 0.21 0.00 0.35 0.00 0.00 41.96 38.40 3m81 s TYR 14 CO 0.15 -1.70 0.48 0.54 -1.34 0.00 0.00 175.55 173.67 3m81 n ARG 15 N 7.80 0.92 -1.41 4.97 1.74 -1.26 -4.39 116.66 125.02 3m81 n ARG 15 Ca 0.15 -3.59 -0.34 0.00 -0.77 0.00 0.00 57.85 53.31 3m81 n ARG 15 Cb 0.48 -1.69 0.09 0.00 -1.02 0.00 0.00 32.46 30.32 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 -0.92 2.15 0.24 5.56 0.04 -1.26 -4.86 135.00 135.95 3m81 s PRO 16 Ca 0.33 1.64 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 3m81 s PRO 16 Cb 0.08 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.67 3m81 s PRO 16 CO -0.14 -1.80 1.62 -2.00 0.04 0.00 0.00 177.00 174.72 3m81 s GLU 17 N -4.07 4.15 0.27 4.56 2.12 -1.26 -4.94 118.70 119.53 3m81 s GLU 17 Ca 0.72 2.54 -0.21 0.00 0.36 0.00 0.00 54.97 58.37 3m81 s GLU 17 Cb -0.26 -3.06 -0.09 0.00 0.26 0.00 0.00 34.13 30.97 3m81 s GLU 17 CO 0.46 -0.65 0.80 1.03 -0.54 0.00 0.00 175.26 176.36 3m81 s ARG 18 N 0.28 4.32 -0.16 4.30 0.52 -1.26 -5.07 118.95 121.87 3m81 s ARG 18 Ca 0.68 0.99 0.02 0.00 -0.52 0.00 0.00 55.73 56.89 3m81 s ARG 18 Cb -0.47 -2.77 0.02 0.00 0.52 0.00 0.00 34.95 32.24 3m81 s ARG 18 CO 0.40 0.32 -0.20 -0.47 0.02 0.00 0.00 175.30 175.36 3m81 s TYR 19 N -1.63 2.72 0.02 -0.53 5.04 -1.26 -5.11 117.35 116.61 3m81 s TYR 19 Ca 0.47 -1.53 -0.13 0.00 -2.44 0.00 0.00 57.07 53.44 3m81 s TYR 19 Cb -0.16 -1.87 0.02 0.00 0.35 0.00 0.00 41.96 40.30 3m81 s TYR 19 CO 0.21 -0.74 0.28 -1.83 -1.34 0.00 0.00 175.55 172.14 3m81 s GLU 20 N 1.13 0.74 0.52 4.97 -1.05 -1.26 -4.83 118.70 118.92 3m81 s GLU 20 Ca 0.01 -0.43 -0.17 0.00 -0.15 0.00 0.00 54.97 54.22 3m81 s GLU 20 Cb -0.14 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.80 3m81 s GLU 20 CO -0.09 -0.22 1.00 -1.21 0.95 0.00 0.00 175.26 175.69 3m81 s GLU 21 N -2.16 3.82 0.53 -4.83 0.41 -1.26 -4.95 118.70 110.26 3m81 s GLU 21 Ca -0.08 1.07 0.27 0.00 -0.41 0.00 0.00 54.97 55.82 3m81 s GLU 21 Cb -0.02 -2.11 1.48 0.00 -1.78 0.00 0.00 34.13 31.69 3m81 s GLU 21 CO -0.01 -0.38 2.09 0.87 -0.49 0.00 0.00 175.26 177.34 3m81 h LYS 22 N 0.98 0.00 -0.74 1.61 1.57 -2.04 -1.54 116.57 116.41 3m81 h LYS 22 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3m81 h LYS 22 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3m81 h LYS 22 CO 0.60 0.10 0.00 -0.40 -0.57 0.00 0.00 179.45 179.19 3m81 n ASP 23 N -3.71 3.96 -0.02 0.86 5.75 -1.26 -4.58 116.55 117.55 3m81 n ASP 23 Ca -0.02 -2.58 -0.10 0.00 -0.01 0.00 0.00 54.79 52.08 3m81 n ASP 23 Cb 0.21 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 39.65 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 2.50 -0.98 -0.49 2.11 3.04 -1.66 0.46 116.94 121.92 3m81 h PHE 24 Ca 0.00 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 3m81 h PHE 24 Cb 1.43 0.46 -0.02 0.00 2.56 0.00 0.00 35.95 40.37 3m81 h PHE 24 CO 0.69 -0.42 0.01 -0.44 -2.02 0.00 0.00 178.31 176.13 3m81 h ASP 25 N -0.39 0.85 -0.77 0.41 3.32 -1.85 -2.64 116.42 115.34 3m81 h ASP 25 Ca 0.11 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 3m81 h ASP 25 Cb 0.57 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3m81 h ASP 25 CO -0.40 0.94 0.30 -0.33 -1.72 0.00 0.00 179.24 178.03 3m81 h GLU 26 N 0.73 1.16 -0.42 3.56 3.07 -1.82 0.28 114.58 121.13 3m81 h GLU 26 Ca 0.14 -0.21 0.05 0.00 -0.50 0.00 0.00 59.36 58.84 3m81 h GLU 26 Cb 0.51 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 3m81 h GLU 26 CO 0.02 0.95 0.16 0.35 -1.40 0.00 0.00 179.01 179.09 3m81 h PHE 27 N 1.13 0.29 -0.24 4.33 3.57 -0.76 0.12 116.94 125.39 3m81 h PHE 27 Ca 0.26 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.58 3m81 h PHE 27 Cb 0.22 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3m81 h PHE 27 CO 0.02 0.12 -0.61 -1.49 -2.23 0.00 0.00 178.31 174.12 3m81 h TRP 28 N 0.34 1.04 -0.30 0.41 4.06 -1.01 -1.10 115.95 119.39 3m81 h TRP 28 Ca 0.19 -0.40 0.04 0.00 2.06 0.00 0.00 58.89 60.79 3m81 h TRP 28 Cb 0.17 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.10 3m81 h TRP 28 CO -0.14 1.22 0.07 0.93 -3.56 0.00 0.00 178.44 176.96 3m81 h GLU 29 N 0.60 0.18 -0.57 0.49 5.08 -0.16 -0.55 114.58 119.65 3m81 h GLU 29 Ca -0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3m81 h GLU 29 Cb 1.22 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3m81 h GLU 29 CO 0.13 0.12 0.22 0.93 -1.00 0.00 0.00 179.01 179.41 3m81 h GLU 30 N 0.18 0.86 -0.39 2.33 5.08 -0.75 -1.21 114.58 120.69 3m81 h GLU 30 Ca 0.14 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3m81 h GLU 30 Cb 0.14 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3m81 h GLU 30 CO -0.17 0.75 0.25 1.15 -1.00 0.00 0.00 179.01 179.99 3m81 h THR 31 N 0.79 1.11 -0.13 1.13 2.02 -0.72 -0.17 112.91 116.93 3m81 h THR 31 Ca 0.19 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 3m81 h THR 31 Cb 0.21 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3m81 h THR 31 CO -0.01 0.10 -0.06 -0.07 0.37 0.00 0.00 175.52 175.85 3m81 h LEU 32 N 0.52 0.29 -0.54 2.58 3.38 -1.07 -2.59 115.31 117.89 3m81 h LEU 32 Ca 0.14 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3m81 h LEU 32 Cb -0.05 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3m81 h LEU 32 CO -0.03 0.63 0.20 0.00 0.09 0.00 0.00 178.44 179.34 3m81 h ALA 33 N 0.66 0.67 -0.89 1.53 0.00 -1.07 0.32 119.26 120.48 3m81 h ALA 33 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3m81 h ALA 33 Cb 0.52 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3m81 h ALA 33 CO 0.02 -0.19 0.48 0.93 0.00 0.00 0.00 179.25 180.49 3m81 h GLU 34 N 0.39 1.25 0.00 0.00 5.08 -1.02 -2.56 114.58 117.72 3m81 h GLU 34 Ca 0.26 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3m81 h GLU 34 Cb 0.28 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3m81 h GLU 34 CO -0.25 0.92 -0.49 0.77 -1.00 0.00 0.00 179.01 178.95 3m81 h SER 35 N 1.25 0.00 0.93 1.42 0.02 -0.94 -3.08 113.55 113.15 3m81 h SER 35 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3m81 h SER 35 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3m81 h SER 35 CO -0.05 0.49 0.00 -0.33 -1.14 0.00 0.00 176.83 175.80 3m81 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 0.02 -2.65 114.58 120.48 3m81 h GLU 36 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m81 h GLU 36 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3m81 h GLU 36 CO 0.06 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.94 3m81 h LYS 37 N 0.00 0.00 -5.90 2.33 1.57 -1.42 -3.42 116.57 109.73 3m81 h LYS 37 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 3m81 h LYS 37 Cb 0.47 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 3m81 h LYS 37 CO 0.00 0.00 -0.38 -0.06 -0.57 0.00 0.00 179.45 178.44 3m81 s PHE 38 N -3.78 3.58 0.17 -1.35 0.40 -1.00 -5.05 117.98 110.95 3m81 s PHE 38 Ca -0.01 0.58 -0.30 0.00 -0.60 0.00 0.00 56.93 56.60 3m81 s PHE 38 Cb 0.10 -2.00 -0.08 0.00 0.51 0.00 0.00 43.02 41.56 3m81 s PHE 38 CO 0.44 0.61 1.12 -1.25 0.70 0.00 0.00 175.22 176.84 3m81 s PRO 39 N -1.73 4.57 0.33 0.24 0.04 -1.26 -4.92 135.00 132.27 3m81 s PRO 39 Ca 0.27 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.10 3m81 s PRO 39 Cb -0.13 -3.28 0.68 0.00 0.04 0.00 0.00 34.50 31.81 3m81 s PRO 39 CO 0.16 0.03 1.91 1.25 0.04 0.00 0.00 177.00 180.39 3m81 h LEU 40 N 5.21 0.76 -3.55 -3.56 5.85 -1.91 -3.43 115.31 114.68 3m81 h LEU 40 Ca -0.44 0.02 -0.58 0.00 0.84 0.00 0.00 57.88 57.71 3m81 h LEU 40 Cb 1.21 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 3m81 h LEU 40 CO 0.73 0.46 -0.96 -0.67 -0.34 0.00 0.00 178.44 177.66 3m81 n ASP 41 N -4.51 -2.86 -4.74 1.25 2.03 -1.26 -2.00 116.55 104.46 3m81 n ASP 41 Ca 0.14 -1.25 -0.41 0.00 0.52 0.00 0.00 54.79 53.80 3m81 n ASP 41 Cb 0.29 -1.50 -0.04 0.00 -0.72 0.00 0.00 41.12 39.15 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 -7.36 4.59 -0.10 -0.67 0.04 -1.26 -4.56 135.00 125.68 3m81 s PRO 42 Ca 0.37 1.78 0.02 0.00 0.04 0.00 0.00 61.00 63.22 3m81 s PRO 42 Cb -0.21 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.10 3m81 s PRO 42 CO 0.94 0.08 -0.17 0.08 0.04 0.00 0.00 177.00 177.97 3m81 s VAL 43 N -0.49 1.58 -0.25 -0.36 1.01 0.05 -5.00 120.40 116.94 3m81 s VAL 43 Ca 0.49 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3m81 s VAL 43 Cb -0.31 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.68 3m81 s VAL 43 CO 0.37 0.45 -0.05 -0.36 0.00 0.00 0.00 175.10 175.52 3m81 s PHE 44 N 0.75 3.05 -0.20 5.22 0.08 -1.26 -2.12 117.98 123.50 3m81 s PHE 44 Ca -0.11 -1.42 0.01 0.00 0.12 0.00 0.00 56.93 55.53 3m81 s PHE 44 Cb -0.16 -2.08 0.03 0.00 -0.57 0.00 0.00 43.02 40.25 3m81 s PHE 44 CO 0.02 -0.69 -0.15 -2.00 -0.10 0.00 0.00 175.22 172.29 3m81 s GLU 45 N 1.36 2.53 0.29 0.44 2.12 -0.36 -4.93 118.70 120.15 3m81 s GLU 45 Ca 0.01 -0.93 -0.30 0.00 0.36 0.00 0.00 54.97 54.11 3m81 s GLU 45 Cb -0.16 -2.57 -0.11 0.00 0.26 0.00 0.00 34.13 31.55 3m81 s GLU 45 CO -0.04 -0.35 1.55 0.50 -0.54 0.00 0.00 175.26 176.38 3m81 s ARG 46 N 1.29 4.16 0.09 4.30 6.06 -1.26 -0.38 118.95 133.20 3m81 s ARG 46 Ca 0.00 2.51 0.01 0.00 -2.50 0.00 0.00 55.73 55.76 3m81 s ARG 46 Cb -0.15 -3.04 -0.04 0.00 0.06 0.00 0.00 34.95 31.78 3m81 s ARG 46 CO -0.10 -0.57 0.19 -1.64 -2.50 0.00 0.00 175.30 170.68 3m81 s MET 47 N -0.60 3.28 0.03 5.12 -1.94 -0.48 -4.85 119.30 119.85 3m81 s MET 47 Ca 0.61 -0.55 -0.30 0.00 -1.71 0.00 0.00 55.69 53.74 3m81 s MET 47 Cb -0.46 -2.93 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 3m81 s MET 47 CO 0.48 0.58 1.10 -1.21 -0.01 0.00 0.00 175.02 175.95 3m81 s GLU 48 N -2.65 4.49 0.01 2.03 2.02 -1.26 -4.79 118.70 118.56 3m81 s GLU 48 Ca 0.33 1.61 -0.12 0.00 0.02 0.00 0.00 54.97 56.81 3m81 s GLU 48 Cb -0.12 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.72 3m81 s GLU 48 CO 0.26 -0.16 0.26 0.45 0.02 0.00 0.00 175.26 176.09 3m81 s SER 49 N 1.03 -0.10 0.03 -0.19 0.15 -1.26 -5.02 113.70 108.34 3m81 s SER 49 Ca 0.56 -0.12 0.28 0.00 0.70 0.00 0.00 55.95 57.37 3m81 s SER 49 Cb -0.26 0.30 1.14 0.00 -1.71 0.00 0.00 66.02 65.50 3m81 s SER 49 CO 0.29 -0.50 1.88 1.41 1.20 0.00 0.00 173.24 177.52 3m81 n HIS 50 N 1.02 0.12 -1.70 3.44 8.25 -1.26 -4.89 115.22 120.20 3m81 n HIS 50 Ca -0.21 0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 56.85 3m81 n HIS 50 Cb 0.57 -0.54 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.60 3.53 -0.01 2.41 4.77 -1.26 -4.92 117.00 119.92 3m81 n LEU 51 Ca 0.07 1.16 -0.00 0.00 -0.03 0.00 0.00 56.01 57.21 3m81 n LEU 51 Cb 0.35 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 39.92 3m81 n LEU 51 CO 0.28 -0.34 -0.61 0.29 -1.33 0.00 0.00 177.39 175.67 3m81 n LYS 52 N 1.58 2.08 -0.01 3.23 4.76 -1.26 -4.68 118.16 123.86 3m81 n LYS 52 Ca 0.09 -0.02 0.11 0.00 -2.87 0.00 0.00 58.31 55.61 3m81 n LYS 52 Cb 0.34 -1.12 0.09 0.00 -1.84 0.00 0.00 35.03 32.51 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 -1.98 0.03 -4.04 -0.18 -2.24 -1.26 -4.95 114.28 99.66 3m81 n THR 53 Ca -0.05 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 3m81 n THR 53 Cb 0.45 1.41 -0.13 0.00 -2.10 0.00 0.00 70.33 69.96 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 -1.73 0.30 -0.20 2.28 1.01 -1.26 -1.35 120.40 119.44 3m81 s VAL 54 Ca 0.25 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 3m81 s VAL 54 Cb 0.18 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 36.18 3m81 s VAL 54 CO 0.26 -0.16 0.13 -1.61 0.00 0.00 0.00 175.10 173.73 3m81 s GLU 55 N -0.73 4.16 -0.14 2.72 2.02 0.22 -4.84 118.70 122.11 3m81 s GLU 55 Ca -0.05 -0.24 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 3m81 s GLU 55 Cb -0.05 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 3m81 s GLU 55 CO -0.00 0.26 0.00 0.00 0.02 0.00 0.00 175.26 175.55 3m81 s ALA 56 N 0.47 3.21 -0.03 5.21 0.00 -1.26 -0.43 121.76 128.93 3m81 s ALA 56 Ca 0.08 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.31 3m81 s ALA 56 Cb -0.11 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 3m81 s ALA 56 CO -0.01 0.32 -0.24 0.71 0.00 0.00 0.00 175.76 176.55 3m81 s TYR 57 N -0.02 2.19 -0.10 0.00 1.51 0.48 -1.39 117.35 120.03 3m81 s TYR 57 Ca 0.03 -0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 3m81 s TYR 57 Cb -0.13 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 3m81 s TYR 57 CO 0.02 -0.11 1.20 0.34 -1.11 0.00 0.00 175.55 175.89 3m81 s ASP 58 N -0.36 7.03 0.03 2.29 -1.08 0.49 -1.22 116.67 123.86 3m81 s ASP 58 Ca 0.03 1.75 0.03 0.00 -0.52 0.00 0.00 52.55 53.85 3m81 s ASP 58 Cb -0.11 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.76 3m81 s ASP 58 CO 0.01 -0.63 -0.03 -0.69 0.52 0.00 0.00 175.17 174.35 3m81 s VAL 59 N 2.62 3.89 -0.06 1.11 1.01 -0.26 -1.22 120.40 127.50 3m81 s VAL 59 Ca 0.55 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 3m81 s VAL 59 Cb -0.23 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.41 3m81 s VAL 59 CO 0.19 0.29 0.14 -0.89 0.00 0.00 0.00 175.10 174.83 3m81 s THR 60 N -1.13 -0.02 0.22 3.92 2.01 -0.90 -1.76 115.64 117.97 3m81 s THR 60 Ca 0.21 0.09 -0.13 0.00 0.31 0.00 0.00 61.69 62.16 3m81 s THR 60 Cb -0.11 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.19 3m81 s THR 60 CO 0.12 0.04 0.45 0.72 -0.69 0.00 0.00 174.62 175.26 3m81 s PHE 61 N 0.60 0.24 -0.26 4.92 -0.71 -0.72 -0.77 117.98 121.28 3m81 s PHE 61 Ca -0.04 -0.60 -0.10 0.00 -1.04 0.00 0.00 56.93 55.15 3m81 s PHE 61 Cb -0.06 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 3m81 s PHE 61 CO -0.03 -0.92 0.16 -1.12 -1.34 0.00 0.00 175.22 171.96 3m81 s SER 62 N -2.97 5.90 0.00 1.98 0.01 -0.85 -0.17 113.70 117.61 3m81 s SER 62 Ca 0.18 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.44 3m81 s SER 62 Cb -0.00 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.15 3m81 s SER 62 CO 0.04 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.30 3m81 n GLY 63 N 4.70 0.79 3.68 3.44 0.00 0.10 -4.79 105.19 113.10 3m81 n GLY 63 Ca -0.15 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.40 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 2.35 -4.08 1.61 9.36 -1.26 -3.01 117.16 122.13 3m81 n TYR 64 Ca 0.00 -0.01 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 3m81 n TYR 64 Cb 0.00 -2.66 -0.01 0.00 -0.63 0.00 0.00 39.34 36.04 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 6.21 -4.06 -0.95 2.98 1.74 -1.26 -0.77 116.66 120.56 3m81 n ARG 65 Ca 0.21 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 3m81 n ARG 65 Cb 0.31 -5.18 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 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 -1.57 0.54 3.74 -0.13 0.00 -1.17 -4.98 105.19 101.62 3m81 n GLY 66 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.39 4.47 -0.42 1.61 -0.21 0.05 -4.68 119.66 120.10 3m81 s GLN 67 Ca 0.00 1.94 -0.28 0.00 0.02 0.00 0.00 55.36 57.04 3m81 s GLN 67 Cb 0.00 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.82 3m81 s GLN 67 CO 0.00 -0.11 1.06 1.03 -2.12 0.00 0.00 175.29 175.15 3m81 s ARG 68 N -0.42 3.80 -0.12 2.91 1.81 -1.26 -0.73 118.95 124.94 3m81 s ARG 68 Ca 0.53 0.63 -0.05 0.00 -1.72 0.00 0.00 55.73 55.12 3m81 s ARG 68 Cb -0.34 -3.85 -0.04 0.00 -0.45 0.00 0.00 34.95 30.27 3m81 s ARG 68 CO 0.39 -1.18 0.07 0.42 -0.68 0.00 0.00 175.30 174.32 3m81 s ILE 69 N 4.02 4.91 0.46 1.52 -1.09 0.76 -4.85 121.20 126.92 3m81 s ILE 69 Ca 0.44 -0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.81 3m81 s ILE 69 Cb -0.09 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 3m81 s ILE 69 CO 0.25 0.58 0.73 -0.54 -1.23 0.00 0.00 174.94 174.73 3m81 s LYS 70 N -0.66 3.48 0.21 2.79 -0.14 -1.26 -1.76 119.74 122.41 3m81 s LYS 70 Ca 0.12 0.05 -0.18 0.00 -1.36 0.00 0.00 55.97 54.59 3m81 s LYS 70 Cb -0.12 -2.44 0.07 0.00 -1.68 0.00 0.00 37.83 33.66 3m81 s LYS 70 CO 0.02 -0.15 0.90 0.41 -0.76 0.00 0.00 175.35 175.77 3m81 n GLY 71 N -2.16 0.74 3.32 -3.33 0.00 -0.72 -1.73 105.19 101.31 3m81 n GLY 71 Ca -0.00 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.49 2.07 -0.15 1.61 0.52 -0.46 -1.10 118.94 118.94 3m81 s TRP 72 Ca 0.20 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.94 3m81 s TRP 72 Cb -0.03 -1.17 0.02 0.00 -1.15 0.00 0.00 33.47 31.13 3m81 s TRP 72 CO 0.06 0.20 -0.19 -1.17 0.02 0.00 0.00 176.95 175.88 3m81 s LEU 73 N -1.64 1.98 -0.20 2.99 2.96 -0.35 -0.57 118.68 123.85 3m81 s LEU 73 Ca 0.10 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3m81 s LEU 73 Cb -0.10 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.25 3m81 s LEU 73 CO 0.04 0.03 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.21 3m81 s LEU 74 N 1.08 2.50 -0.23 -0.68 1.43 0.18 -0.38 118.68 122.58 3m81 s LEU 74 Ca -0.02 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3m81 s LEU 74 Cb -0.14 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3m81 s LEU 74 CO -0.06 -0.01 -0.06 -0.69 0.23 0.00 0.00 176.35 175.75 3m81 s VAL 75 N 1.38 3.03 0.40 -1.59 1.01 0.43 -0.42 120.40 124.64 3m81 s VAL 75 Ca 0.05 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 3m81 s VAL 75 Cb -0.14 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.72 3m81 s VAL 75 CO -0.08 0.34 1.18 -2.16 0.00 0.00 0.00 175.10 174.37 3m81 s PRO 76 N 1.40 4.06 -0.98 2.72 0.04 -1.26 0.70 135.00 141.67 3m81 s PRO 76 Ca 0.03 1.86 -0.23 0.00 0.04 0.00 0.00 61.00 62.70 3m81 s PRO 76 Cb -0.15 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.73 3m81 s PRO 76 CO -0.05 -0.32 1.56 0.15 0.04 0.00 0.00 177.00 178.38 3m81 s LYS 77 N -2.28 3.34 0.13 4.56 1.02 -0.46 -4.82 119.74 121.22 3m81 s LYS 77 Ca 0.57 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.72 3m81 s LYS 77 Cb -0.31 -5.25 -0.04 0.00 -0.52 0.00 0.00 37.83 31.71 3m81 s LYS 77 CO 0.39 -2.48 -0.14 -0.51 -0.92 0.00 0.00 175.35 171.70 3m81 s LEU 78 N 6.18 2.42 0.27 3.17 1.43 -1.26 -5.00 118.68 125.89 3m81 s LEU 78 Ca 0.51 -0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3m81 s LEU 78 Cb -0.02 -0.55 0.38 0.00 0.03 0.00 0.00 46.19 46.02 3m81 s LEU 78 CO -0.07 -0.15 1.78 -0.33 0.23 0.00 0.00 176.35 177.81 3m81 h GLU 79 N 3.42 0.75 -6.41 1.70 3.07 -2.03 -3.45 114.58 111.63 3m81 h GLU 79 Ca -0.40 -0.19 -0.63 0.00 -0.50 0.00 0.00 59.36 57.64 3m81 h GLU 79 Cb 1.20 -0.09 0.08 0.00 -0.84 0.00 0.00 28.75 29.09 3m81 h GLU 79 CO 0.52 0.76 0.40 -1.91 -1.40 0.00 0.00 179.01 177.37 3m81 n GLU 80 N -4.23 1.46 0.09 2.33 2.13 -1.26 -4.90 120.64 116.26 3m81 n GLU 80 Ca 0.02 0.52 -0.07 0.00 0.66 0.00 0.00 57.16 58.29 3m81 n GLU 80 Cb 0.29 -2.08 -0.02 0.00 0.27 0.00 0.00 31.44 29.90 3m81 n GLU 80 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3m81 h GLU 81 N 3.74 0.09 -5.42 5.31 3.07 -1.96 -3.43 114.58 115.98 3m81 h GLU 81 Ca -0.44 -0.11 -0.68 0.00 -0.50 0.00 0.00 59.36 57.63 3m81 h GLU 81 Cb 1.32 0.03 -0.33 0.00 -0.84 0.00 0.00 28.75 28.94 3m81 h GLU 81 CO 0.73 0.92 -0.88 0.15 -1.40 0.00 0.00 179.01 178.53 3m81 s LYS 82 N -3.06 2.99 0.18 2.33 -0.14 -1.26 -4.57 119.74 116.22 3m81 s LYS 82 Ca -0.01 -0.88 0.11 0.00 -1.36 0.00 0.00 55.97 53.82 3m81 s LYS 82 Cb 0.10 -2.29 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 3m81 s LYS 82 CO 0.82 0.20 -0.20 -0.51 -0.76 0.00 0.00 175.35 174.90 3m81 s LEU 83 N 0.28 2.59 0.76 3.17 1.43 -0.03 -4.82 118.68 122.06 3m81 s LEU 83 Ca -0.17 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.05 3m81 s LEU 83 Cb -0.17 -1.32 0.04 0.00 0.03 0.00 0.00 46.19 44.77 3m81 s LEU 83 CO 0.08 0.12 1.10 -2.16 0.23 0.00 0.00 176.35 175.73 3m81 s PRO 84 N -2.64 2.44 -0.01 1.29 0.04 -1.26 -0.26 135.00 134.59 3m81 s PRO 84 Ca 0.21 0.51 -0.00 0.00 0.04 0.00 0.00 61.00 61.76 3m81 s PRO 84 Cb -0.08 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.50 3m81 s PRO 84 CO 0.11 -1.34 0.02 0.00 0.04 0.00 0.00 177.00 175.83 3m81 s VAL 86 N 0.52 3.46 -0.36 0.00 1.01 0.14 -0.26 120.40 124.91 3m81 s VAL 86 Ca -0.04 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 3m81 s VAL 86 Cb -0.06 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 3m81 s VAL 86 CO -0.02 0.46 0.48 -0.69 0.00 0.00 0.00 175.10 175.33 3m81 s VAL 87 N 1.00 5.04 -0.22 2.92 1.01 0.91 -0.47 120.40 130.59 3m81 s VAL 87 Ca 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 3m81 s VAL 87 Cb -0.15 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3m81 s VAL 87 CO 0.00 -0.23 0.03 -1.58 0.00 0.00 0.00 175.10 173.31 3m81 s GLN 88 N 2.32 3.61 0.16 2.72 2.00 0.17 -0.56 119.66 130.07 3m81 s GLN 88 Ca 0.17 -0.51 0.04 0.00 -2.00 0.00 0.00 55.36 53.05 3m81 s GLN 88 Cb -0.16 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.44 3m81 s GLN 88 CO 0.13 -0.10 0.22 0.71 -0.50 0.00 0.00 175.29 175.75 3m81 s TYR 89 N 1.32 3.33 0.01 1.67 2.02 0.10 -1.80 117.35 123.99 3m81 s TYR 89 Ca 0.04 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.82 3m81 s TYR 89 Cb -0.15 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3m81 s TYR 89 CO 0.02 0.52 -0.04 0.42 -1.57 0.00 0.00 175.55 174.89 3m81 s ILE 90 N -1.75 3.84 0.92 2.71 1.01 -1.26 -4.44 121.20 122.22 3m81 s ILE 90 Ca 0.33 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 3m81 s ILE 90 Cb -0.11 -2.70 0.14 0.00 0.01 0.00 0.00 42.46 39.81 3m81 s ILE 90 CO 0.26 0.36 1.09 -0.83 0.00 0.00 0.00 174.94 175.82 3m81 s GLY 91 N -1.55 1.61 0.23 6.18 0.00 -1.26 -3.17 107.32 109.36 3m81 s GLY 91 Ca 0.19 -0.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.50 3m81 s GLY 91 CO 0.09 0.41 1.26 2.98 0.00 0.00 0.00 173.10 177.85 3m81 n TYR 92 N -3.97 1.76 -1.16 1.90 9.36 -1.26 -1.45 117.16 122.34 3m81 n TYR 92 Ca 0.07 0.56 -0.05 0.00 3.32 0.00 0.00 57.90 61.79 3m81 n TYR 92 Cb 0.55 -2.37 -0.02 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 1.89 -4.88 -4.91 2.98 3.02 -1.26 -4.85 115.26 107.26 3m81 n ASN 93 Ca 0.12 0.14 -0.21 0.00 -0.03 0.00 0.00 54.58 54.60 3m81 n ASN 93 Cb 0.29 -2.86 -0.01 0.00 -0.61 0.00 0.00 39.78 36.59 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 -2.33 2.10 0.17 7.41 0.00 -0.53 -0.75 107.32 113.40 3m81 s GLY 94 Ca 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 44.72 42.89 3m81 s GLY 94 CO 0.00 -1.70 0.27 0.61 0.00 0.00 0.00 173.10 172.28 3m81 n GLY 95 N -1.69 2.36 0.19 0.20 0.00 -0.87 -1.86 105.19 103.52 3m81 n GLY 95 Ca 0.05 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.80 -3.43 114.38 110.86 3m81 h ARG 96 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 3m81 h ARG 96 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 3m81 h ARG 96 CO 0.18 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.66 3m81 n GLY 97 N -0.03 2.73 3.81 0.08 0.00 0.27 -4.62 105.19 107.42 3m81 n GLY 97 Ca 0.01 -0.28 -0.25 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 3.14 0.36 1.61 0.08 -1.26 -4.97 117.98 116.94 3m81 s PHE 98 Ca 0.00 -0.05 0.10 0.00 0.12 0.00 0.00 56.93 57.10 3m81 s PHE 98 Cb 0.00 -1.47 0.85 0.00 -0.57 0.00 0.00 43.02 41.83 3m81 s PHE 98 CO 0.00 0.52 1.86 -1.35 -0.10 0.00 0.00 175.22 176.15 3m81 h PRO 99 N 2.07 0.64 0.00 0.24 0.11 -2.00 -1.36 132.00 131.70 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 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3m81 h PRO 99 CO 0.62 0.42 0.00 -2.39 -0.21 0.00 0.00 178.00 176.44 3m81 n HIS 100 N -4.57 0.00 1.54 0.65 1.44 -1.26 -2.20 115.22 110.83 3m81 n HIS 100 Ca 0.18 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 56.04 3m81 n HIS 100 Cb 0.50 0.00 0.75 0.00 0.12 0.00 0.00 29.99 31.36 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 -0.95 0.19 -2.49 4.39 8.00 -0.51 -4.29 116.55 120.90 3m81 n ASP 101 Ca 0.14 -0.49 -0.12 0.00 0.71 0.00 0.00 54.79 55.03 3m81 n ASP 101 Cb 0.07 -0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.08 1.96 0.92 1.24 7.02 -0.93 -4.90 117.44 121.67 3m81 n TRP 102 Ca 0.16 -2.28 0.13 0.00 -1.02 0.00 0.00 57.50 54.50 3m81 n TRP 102 Cb 0.23 -0.27 0.57 0.00 -2.42 0.00 0.00 31.31 29.41 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 -0.60 0.00 0.40 -0.99 4.77 -1.26 -4.32 117.00 115.00 3m81 n LEU 103 Ca 0.24 0.49 -0.17 0.00 -0.03 0.00 0.00 56.01 56.54 3m81 n LEU 103 Cb 0.86 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3m81 n LEU 103 CO 0.23 -0.04 0.51 0.15 -1.33 0.00 0.00 177.39 176.91 3m81 h PHE 104 N 0.00 -0.94 -0.25 -1.77 3.57 -1.95 -1.85 116.94 113.75 3m81 h PHE 104 Ca 0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 3m81 h PHE 104 Cb 0.45 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3m81 h PHE 104 CO 0.00 -0.57 0.03 -1.49 -2.23 0.00 0.00 178.31 174.05 3m81 h TRP 105 N -1.16 0.45 -0.86 0.41 4.06 -1.88 -2.05 115.95 114.92 3m81 h TRP 105 Ca -0.10 -0.07 0.14 0.00 2.06 0.00 0.00 58.89 60.92 3m81 h TRP 105 Cb 0.80 -0.12 -0.09 0.00 -1.00 0.00 0.00 29.16 28.75 3m81 h TRP 105 CO -0.00 0.55 0.45 -1.35 -3.56 0.00 0.00 178.44 174.53 3m81 h PRO 106 N 0.21 0.63 0.00 0.49 0.11 -1.53 0.79 132.00 132.70 3m81 h PRO 106 Ca 0.07 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 3m81 h PRO 106 Cb 0.36 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 3m81 h PRO 106 CO 0.01 0.42 -0.12 0.77 -0.21 0.00 0.00 178.00 178.86 3m81 h SER 107 N 0.65 0.00 -0.33 -2.05 0.02 -0.95 -0.50 113.55 110.39 3m81 h SER 107 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 3m81 h SER 107 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3m81 h SER 107 CO -0.35 0.12 0.00 0.23 -1.14 0.00 0.00 176.83 175.69 3m81 n MET 108 N -4.12 1.78 -0.59 3.45 2.81 0.15 -4.90 117.12 115.71 3m81 n MET 108 Ca -0.02 -1.20 0.00 0.00 -1.81 0.00 0.00 57.70 54.66 3m81 n MET 108 Cb 0.20 -1.26 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 1.02 0.69 3.76 3.03 0.00 -0.19 -5.06 105.19 108.45 3m81 n GLY 109 Ca 0.11 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.34 0.40 1.61 1.51 -0.47 -4.49 117.35 117.25 3m81 s TYR 110 Ca 0.00 0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 56.13 3m81 s TYR 110 Cb 0.00 -1.85 -0.09 0.00 -0.11 0.00 0.00 41.96 39.91 3m81 s TYR 110 CO 0.00 0.58 1.24 0.42 -1.11 0.00 0.00 175.55 176.68 3m81 s ILE 111 N -0.94 2.85 -0.12 2.71 1.01 0.51 -2.38 121.20 124.83 3m81 s ILE 111 Ca 0.14 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.55 3m81 s ILE 111 Cb -0.12 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.94 3m81 s ILE 111 CO 0.03 0.10 -0.14 0.00 0.00 0.00 0.00 174.94 174.93 3m81 s PHE 113 N 1.27 3.21 -0.32 0.00 2.19 0.38 -0.64 117.98 124.06 3m81 s PHE 113 Ca -0.01 -1.19 -0.11 0.00 0.33 0.00 0.00 56.93 55.95 3m81 s PHE 113 Cb -0.14 -2.28 -0.02 0.00 -1.31 0.00 0.00 43.02 39.27 3m81 s PHE 113 CO -0.06 -0.66 0.20 0.08 1.83 0.00 0.00 175.22 176.61 3m81 s VAL 114 N 1.46 5.04 -0.25 3.12 1.01 0.27 0.45 120.40 131.50 3m81 s VAL 114 Ca 0.01 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 3m81 s VAL 114 Cb -0.18 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3m81 s VAL 114 CO 0.03 0.06 0.59 -0.32 0.00 0.00 0.00 175.10 175.47 3m81 s MET 115 N 1.69 4.10 0.55 2.72 1.75 -0.75 -1.36 119.30 128.01 3m81 s MET 115 Ca 0.06 0.48 -0.21 0.00 -1.25 0.00 0.00 55.69 54.77 3m81 s MET 115 Cb -0.17 -3.65 -0.05 0.00 2.84 0.00 0.00 34.83 33.80 3m81 s MET 115 CO 0.09 -0.39 1.25 0.34 -0.65 0.00 0.00 175.02 175.66 3m81 s ASP 116 N 1.48 5.41 -0.32 1.11 2.15 -0.71 -4.42 116.67 121.38 3m81 s ASP 116 Ca 0.25 2.50 -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 -1.45 0.16 -0.89 -0.17 0.00 0.00 175.17 172.91 3m81 s THR 117 N -1.48 4.54 -0.19 1.71 2.01 -1.26 -4.79 115.64 116.18 3m81 s THR 117 Ca 0.73 -0.55 -0.39 0.00 0.31 0.00 0.00 61.69 61.79 3m81 s THR 117 Cb -0.34 -3.37 -0.16 0.00 0.01 0.00 0.00 72.50 68.65 3m81 s THR 117 CO 0.38 -0.00 1.66 -2.11 -0.69 0.00 0.00 174.62 173.86 3m81 n ARG 118 N 4.97 1.19 -0.24 4.92 1.85 -1.26 -2.07 116.66 126.03 3m81 n ARG 118 Ca -0.13 0.44 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 3m81 n ARG 118 Cb 0.48 -2.12 0.00 0.00 -1.05 0.00 0.00 32.46 29.78 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 3.83 2.04 0.00 2.89 0.00 0.16 -4.58 105.19 109.54 3m81 n GLY 119 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.01 1.61 6.02 -0.88 -4.89 117.38 114.23 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 -0.78 -4.72 105.19 105.28 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 -2.19 0.31 -0.07 1.61 7.64 -1.20 -1.38 113.62 118.34 3m81 n SER 122 Ca -0.08 -1.09 -0.06 0.00 1.01 0.00 0.00 58.87 58.65 3m81 n SER 122 Cb 0.58 0.00 -0.02 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 -0.66 0.00 0.23 0.00 0.07 -4.90 105.19 99.89 3m81 n GLY 123 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.21 0.00 -3.70 1.61 4.27 -1.06 -5.04 117.44 109.30 3m81 n TRP 124 Ca -0.10 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.40 3m81 n TRP 124 Cb 0.37 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.22 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 -1.29 0.02 0.59 5.67 2.96 -1.26 -5.03 118.68 120.34 3m81 s LEU 125 Ca 0.00 0.94 -0.20 0.00 -0.22 0.00 0.00 54.13 54.65 3m81 s LEU 125 Cb 0.00 1.50 -0.03 0.00 0.50 0.00 0.00 46.19 48.15 3m81 s LEU 125 CO 0.00 -0.18 1.28 -1.59 -1.32 0.00 0.00 176.35 174.54 3m81 s LYS 126 N 0.92 2.94 0.19 1.98 -2.85 -1.26 -2.06 119.74 119.60 3m81 s LYS 126 Ca -0.05 2.02 0.04 0.00 -1.00 0.00 0.00 55.97 56.98 3m81 s LYS 126 Cb -0.06 -2.03 -0.05 0.00 -2.06 0.00 0.00 37.83 33.63 3m81 s LYS 126 CO -0.07 -1.29 -0.05 0.20 0.10 0.00 0.00 175.35 174.24 3m81 s GLY 127 N -1.32 1.32 0.00 0.59 0.00 -0.48 -0.57 107.32 106.86 3m81 s GLY 127 Ca 0.77 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3m81 s GLY 127 CO 0.40 -1.63 0.50 1.22 0.00 0.00 0.00 173.10 173.59 3m81 n ASP 128 N -0.31 0.69 -4.48 1.64 8.00 -1.26 -4.89 116.55 115.94 3m81 n ASP 128 Ca -0.08 -1.25 -0.35 0.00 0.71 0.00 0.00 54.79 53.83 3m81 n ASP 128 Cb 0.62 0.00 -0.12 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 -0.25 4.06 0.67 -3.53 2.01 -1.26 -4.92 115.64 112.42 3m81 s THR 129 Ca 0.00 -0.28 -0.10 0.00 0.31 0.00 0.00 61.69 61.62 3m81 s THR 129 Cb 0.00 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.70 3m81 s THR 129 CO 0.00 0.44 1.03 -2.16 -0.69 0.00 0.00 174.62 173.25 3m81 s PRO 130 N 0.82 2.85 0.36 4.92 0.04 -1.26 0.40 135.00 143.12 3m81 s PRO 130 Ca 0.01 0.29 -0.06 0.00 0.04 0.00 0.00 61.00 61.28 3m81 s PRO 130 Cb -0.14 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 3m81 s PRO 130 CO 0.02 -0.94 0.66 0.34 0.04 0.00 0.00 177.00 177.12 3m81 s ASP 131 N -4.35 6.43 -0.21 6.66 2.15 -1.26 -3.96 116.67 122.13 3m81 s ASP 131 Ca 0.57 0.87 -0.03 0.00 0.43 0.00 0.00 52.55 54.39 3m81 s ASP 131 Cb -0.11 -2.21 0.07 0.00 -0.30 0.00 0.00 42.92 40.37 3m81 s ASP 131 CO 0.49 -0.33 0.06 -0.31 -0.17 0.00 0.00 175.17 174.91 3m81 s TYR 132 N -2.30 0.95 0.55 -5.34 1.51 -1.26 -4.93 117.35 106.53 3m81 s TYR 132 Ca 0.47 -0.90 -0.06 0.00 -1.01 0.00 0.00 57.07 55.57 3m81 s TYR 132 Cb -0.10 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 3m81 s TYR 132 CO 0.33 -0.65 0.87 -1.25 -1.11 0.00 0.00 175.55 173.74 3m81 s PRO 133 N 1.88 3.20 -0.87 -1.71 0.04 -1.26 -4.95 135.00 131.34 3m81 s PRO 133 Ca 0.01 0.13 -0.22 0.00 0.04 0.00 0.00 61.00 60.97 3m81 s PRO 133 Cb -0.17 -2.29 -0.14 0.00 0.04 0.00 0.00 34.50 31.94 3m81 s PRO 133 CO -0.12 -0.51 1.93 0.39 0.04 0.00 0.00 177.00 178.72 3m81 n GLU 134 N -2.48 1.57 0.00 4.56 -0.58 -1.26 -4.88 120.64 117.57 3m81 n GLU 134 Ca 0.03 -2.00 0.00 0.00 -0.42 0.00 0.00 57.16 54.78 3m81 n GLU 134 Cb 0.56 -3.08 0.00 0.00 -0.57 0.00 0.00 31.44 28.35 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 4.76 0.72 3.74 0.62 0.00 -1.26 -4.84 105.19 108.93 3m81 n GLY 135 Ca 0.49 0.52 -0.40 0.00 0.00 0.00 0.00 46.02 46.62 3m81 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m81 s PRO 136 N 0.00 4.60 -0.69 1.61 0.05 -1.26 -5.00 135.00 134.30 3m81 s PRO 136 Ca 0.00 1.26 -0.19 0.00 0.05 0.00 0.00 61.00 62.12 3m81 s PRO 136 Cb 0.00 -3.36 0.12 0.00 0.05 0.00 0.00 34.50 31.30 3m81 s PRO 136 CO 0.00 0.27 0.83 0.08 0.05 0.00 0.00 177.00 178.23 3m81 s VAL 137 N -0.09 4.81 0.91 -0.36 1.01 -1.26 -5.01 120.40 120.41 3m81 s VAL 137 Ca 0.42 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 3m81 s VAL 137 Cb -0.22 -4.58 0.04 0.00 0.00 0.00 0.00 36.38 31.63 3m81 s VAL 137 CO 0.26 -1.24 0.58 0.47 0.00 0.00 0.00 175.10 175.17 3m81 n ASP 138 N 6.33 -1.44 -4.56 3.32 8.00 -1.26 -4.88 116.55 122.06 3m81 n ASP 138 Ca 0.00 0.39 -0.55 0.00 0.71 0.00 0.00 54.79 55.34 3m81 n ASP 138 Cb 0.45 -1.27 -0.07 0.00 -0.02 0.00 0.00 41.12 40.21 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 -2.02 0.68 -3.83 -0.24 -0.02 -1.26 -4.79 135.00 123.51 3m81 n PRO 139 Ca 0.08 0.24 -0.09 0.00 -2.02 0.00 0.00 63.50 61.71 3m81 n PRO 139 Cb 0.53 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.44 1.05 0.36 -0.52 -2.07 -1.26 -4.88 119.66 112.77 3m81 s GLN 140 Ca 0.88 -0.96 -0.22 0.00 -1.82 0.00 0.00 55.36 53.23 3m81 s GLN 140 Cb -1.09 0.40 -0.10 0.00 -1.09 0.00 0.00 33.01 31.13 3m81 s GLN 140 CO 0.52 -0.38 0.90 -0.47 -1.32 0.00 0.00 175.29 174.54 3m81 s TYR 141 N -3.88 3.49 0.01 9.60 5.04 -1.26 -4.98 117.35 125.36 3m81 s TYR 141 Ca 0.09 1.60 -0.38 0.00 -2.44 0.00 0.00 57.07 55.94 3m81 s TYR 141 Cb 0.03 -2.81 -0.17 0.00 0.35 0.00 0.00 41.96 39.36 3m81 s TYR 141 CO -0.07 0.08 1.41 -2.30 -1.34 0.00 0.00 175.55 173.33 3m81 n PRO 142 N -0.03 1.11 0.00 4.97 -0.02 -1.26 -4.69 135.00 135.08 3m81 n PRO 142 Ca 0.04 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3m81 n PRO 142 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.82 0.28 0.00 -1.23 0.00 -1.26 -4.87 105.19 100.93 3m81 n GLY 143 Ca 0.20 -2.28 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 0.77 0.00 0.22 1.61 3.72 -1.26 -4.46 117.46 118.06 3m81 n PHE 144 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 3m81 n PHE 144 Cb 0.00 -0.20 0.49 0.00 -0.94 0.00 0.00 39.48 38.83 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 0.00 -0.14 -1.08 2.86 -1.90 -3.01 114.93 111.66 3m81 h MET 145 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3m81 h MET 145 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3m81 h MET 145 CO 0.00 0.25 0.00 0.25 1.06 0.00 0.00 176.91 178.47 3m81 n THR 146 N -3.59 0.71 -2.13 2.22 -2.24 -1.26 -4.87 114.28 103.12 3m81 n THR 146 Ca -0.01 -0.85 -0.41 0.00 -2.27 0.00 0.00 64.05 60.51 3m81 n THR 146 Cb 0.39 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.86 3.14 0.00 -0.78 3.52 -1.14 -2.15 118.95 120.69 3m81 s ARG 147 Ca 0.11 0.93 0.00 0.00 -0.13 0.00 0.00 55.73 56.64 3m81 s ARG 147 Cb 0.06 -4.22 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 3m81 s ARG 147 CO 0.08 -2.10 0.00 0.41 -0.81 0.00 0.00 175.30 172.88 3m81 n GLY 148 N 5.43 0.49 0.19 8.12 0.00 -1.26 -1.42 105.19 116.73 3m81 n GLY 148 Ca 0.19 -0.63 0.14 0.00 0.00 0.00 0.00 46.02 45.72 3m81 n GLY 148 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3m81 h ILE 149 N 0.00 0.00 0.00 -0.61 2.10 -1.73 -2.75 117.51 114.52 3m81 h ILE 149 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 3m81 h ILE 149 Cb 0.00 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 3m81 h ILE 149 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 3m81 n LEU 150 N -2.46 0.00 -3.66 2.19 4.77 -1.26 -4.65 117.00 111.93 3m81 n LEU 150 Ca -0.00 0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 3m81 n LEU 150 Cb 0.13 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 3m81 n LEU 150 CO 0.16 -0.00 0.21 -0.62 -1.33 0.00 0.00 177.39 175.80 3m81 s ASP 151 N -2.24 -0.79 0.50 -1.43 -1.08 -1.05 -4.96 116.67 105.62 3m81 s ASP 151 Ca 0.39 1.32 0.24 0.00 -0.52 0.00 0.00 52.55 53.98 3m81 s ASP 151 Cb 0.21 1.51 1.32 0.00 -1.46 0.00 0.00 42.92 44.50 3m81 s ASP 151 CO 0.39 -0.22 1.94 1.55 0.52 0.00 0.00 175.17 179.35 3m81 h PRO 152 N 7.51 0.11 0.00 4.34 0.13 -1.83 -1.05 132.00 141.21 3m81 h PRO 152 Ca -0.25 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 3m81 h PRO 152 Cb 1.16 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3m81 h PRO 152 CO 0.16 0.08 -0.23 0.00 -0.23 0.00 0.00 178.00 177.78 3m81 h ARG 153 N 0.12 0.00 -0.00 0.86 3.08 -1.96 -2.95 114.38 113.53 3m81 h ARG 153 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3m81 h ARG 153 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3m81 h ARG 153 CO -0.04 0.23 -0.85 0.25 -1.07 0.00 0.00 179.97 178.48 3m81 n THR 154 N -3.59 0.00 -2.18 2.04 -2.24 -0.48 -4.98 114.28 102.85 3m81 n THR 154 Ca -0.01 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3m81 n THR 154 Cb 0.37 1.07 -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 -2.84 3.23 0.28 4.78 5.04 -0.73 -4.37 117.35 122.73 3m81 s TYR 155 Ca 0.11 1.10 0.01 0.00 -2.44 0.00 0.00 57.07 55.85 3m81 s TYR 155 Cb 0.16 -3.66 0.64 0.00 0.35 0.00 0.00 41.96 39.46 3m81 s TYR 155 CO 0.78 -2.16 1.70 -0.92 -1.34 0.00 0.00 175.55 173.62 3m81 h TYR 156 N 5.86 0.57 0.00 4.97 3.20 -1.52 -0.80 116.97 129.24 3m81 h TYR 156 Ca -0.44 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3m81 h TYR 156 Cb 1.21 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3m81 h TYR 156 CO 0.63 -0.03 0.00 0.66 -1.64 0.00 0.00 178.16 177.78 3m81 n TYR 157 N -5.06 0.61 -0.26 -3.82 4.01 -1.26 -1.95 117.16 109.43 3m81 n TYR 157 Ca 0.20 0.21 -0.05 0.00 -0.16 0.00 0.00 57.90 58.09 3m81 n TYR 157 Cb 0.58 -0.84 0.05 0.00 -0.31 0.00 0.00 39.34 38.83 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 0.98 -0.10 -0.72 2.43 -1.44 0.10 114.38 115.62 3m81 h ARG 158 Ca 0.00 -0.10 -0.23 0.00 -0.81 0.00 0.00 59.98 58.85 3m81 h ARG 158 Cb 0.49 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3m81 h ARG 158 CO 0.00 0.71 -0.83 0.00 -1.51 0.00 0.00 179.97 178.33 3m81 h ARG 159 N 0.97 0.69 -0.25 0.20 3.08 -1.51 -2.33 114.38 115.24 3m81 h ARG 159 Ca 0.25 -0.60 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 3m81 h ARG 159 Cb -0.01 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3m81 h ARG 159 CO -0.05 1.21 0.02 0.28 -1.07 0.00 0.00 179.97 180.37 3m81 h VAL 160 N 0.45 1.24 -0.77 2.04 2.07 -1.35 -0.70 116.25 119.24 3m81 h VAL 160 Ca -0.07 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3m81 h VAL 160 Cb 1.46 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 3m81 h VAL 160 CO 0.16 0.26 0.38 -0.26 0.02 0.00 0.00 177.57 178.13 3m81 h PHE 161 N 0.21 1.08 -0.09 1.57 -1.00 -0.79 0.17 116.94 118.09 3m81 h PHE 161 Ca 0.07 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 3m81 h PHE 161 Cb 0.36 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.58 3m81 h PHE 161 CO 0.03 0.78 -0.01 1.15 -1.61 0.00 0.00 178.31 178.65 3m81 h THR 162 N 1.08 1.27 -0.79 -1.55 2.02 -1.21 -0.72 112.91 113.01 3m81 h THR 162 Ca 0.27 -0.86 0.18 0.00 0.77 0.00 0.00 66.41 66.77 3m81 h THR 162 Cb 0.09 1.67 -0.12 0.00 -1.74 0.00 0.00 68.15 68.05 3m81 h THR 162 CO -0.04 0.24 0.20 0.44 0.37 0.00 0.00 175.52 176.73 3m81 h ASP 163 N -0.14 0.01 -0.60 4.18 3.32 -0.84 -2.13 116.42 120.22 3m81 h ASP 163 Ca 0.02 0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3m81 h ASP 163 Cb 0.38 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3m81 h ASP 163 CO 0.01 -0.07 0.11 0.00 -1.72 0.00 0.00 179.24 177.57 3m81 h ALA 164 N 1.67 0.79 -0.64 3.45 0.00 0.40 0.94 119.26 125.88 3m81 h ALA 164 Ca 0.46 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3m81 h ALA 164 Cb 0.84 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3m81 h ALA 164 CO -0.56 0.53 0.14 0.28 0.00 0.00 0.00 179.25 179.64 3m81 h VAL 165 N 0.88 1.25 0.00 0.00 2.07 -0.77 -2.57 116.25 117.11 3m81 h VAL 165 Ca 0.18 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 3m81 h VAL 165 Cb 0.40 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3m81 h VAL 165 CO 0.01 0.35 -0.52 0.03 0.02 0.00 0.00 177.57 177.46 3m81 h ARG 166 N 0.96 0.00 -0.92 1.57 2.47 -0.84 -2.83 114.38 114.79 3m81 h ARG 166 Ca 0.20 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.99 3m81 h ARG 166 Cb 0.36 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.61 3m81 h ARG 166 CO 0.00 0.52 0.57 0.00 0.56 0.00 0.00 179.97 181.63 3m81 h ALA 167 N 1.48 1.28 -0.61 0.04 0.00 -0.41 0.55 119.26 121.59 3m81 h ALA 167 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3m81 h ALA 167 Cb 1.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3m81 h ALA 167 CO 0.07 0.31 0.02 0.28 0.00 0.00 0.00 179.25 179.93 3m81 h VAL 168 N 1.03 1.26 -0.70 0.00 2.07 -1.42 -0.21 116.25 118.28 3m81 h VAL 168 Ca 0.41 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3m81 h VAL 168 Cb 0.21 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3m81 h VAL 168 CO -0.19 0.41 0.21 -0.33 0.02 0.00 0.00 177.57 177.70 3m81 h GLU 169 N 0.98 1.09 -0.04 1.57 4.39 -1.42 -0.02 114.58 121.13 3m81 h GLU 169 Ca 0.18 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3m81 h GLU 169 Cb 0.54 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3m81 h GLU 169 CO 0.03 0.95 0.02 0.00 -1.16 0.00 0.00 179.01 178.85 3m81 h ALA 170 N 1.10 0.05 -0.44 3.43 0.00 -0.48 -1.74 119.26 121.17 3m81 h ALA 170 Ca 0.22 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3m81 h ALA 170 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3m81 h ALA 170 CO -0.00 -0.44 0.24 0.00 0.00 0.00 0.00 179.25 179.05 3m81 h ALA 171 N 0.99 0.56 -0.22 0.00 0.00 -0.82 -1.44 119.26 118.33 3m81 h ALA 171 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3m81 h ALA 171 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3m81 h ALA 171 CO -0.00 -0.09 0.17 0.00 0.00 0.00 0.00 179.25 179.33 3m81 h ALA 172 N 1.21 2.09 0.00 0.00 0.00 -0.76 -1.33 119.26 120.48 3m81 h ALA 172 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3m81 h ALA 172 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3m81 h ALA 172 CO -0.10 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 177.73 3m81 n SER 173 N -4.27 0.31 -4.71 0.00 3.41 -0.55 -4.76 113.62 103.06 3m81 n SER 173 Ca 0.02 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 3m81 n SER 173 Cb 0.31 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 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 -3.08 3.45 0.26 7.33 5.36 -0.50 -4.94 117.98 125.86 3m81 s PHE 174 Ca 0.10 1.33 -0.02 0.00 -0.96 0.00 0.00 56.93 57.38 3m81 s PHE 174 Cb 0.14 -3.39 0.42 0.00 -0.34 0.00 0.00 43.02 39.84 3m81 s PHE 174 CO 0.47 -1.17 1.86 -1.35 -1.46 0.00 0.00 175.22 173.56 3m81 h PRO 175 N 6.83 1.03 -0.03 10.12 0.11 -1.88 -2.22 132.00 145.96 3m81 h PRO 175 Ca -0.41 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3m81 h PRO 175 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3m81 h PRO 175 CO 0.81 0.68 0.00 1.04 -0.21 0.00 0.00 178.00 180.32 3m81 n GLN 176 N -4.57 1.09 -3.15 1.05 6.02 -1.26 -4.80 117.38 111.76 3m81 n GLN 176 Ca 0.15 -0.14 -0.39 0.00 -0.01 0.00 0.00 57.00 56.61 3m81 n GLN 176 Cb 0.22 -1.12 -0.06 0.00 1.02 0.00 0.00 30.24 30.30 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 5.06 -0.54 5.09 1.01 -0.84 -0.85 120.40 127.38 3m81 s VAL 177 Ca 0.12 1.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.99 3m81 s VAL 177 Cb 0.06 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.54 3m81 s VAL 177 CO 0.09 0.18 1.15 -0.62 0.00 0.00 0.00 175.10 175.90 3m81 s ASP 178 N 1.01 6.50 0.44 3.32 -1.08 0.65 -4.81 116.67 122.69 3m81 s ASP 178 Ca 0.29 0.18 0.30 0.00 -0.52 0.00 0.00 52.55 52.81 3m81 s ASP 178 Cb -0.16 -2.54 1.50 0.00 -1.46 0.00 0.00 42.92 40.27 3m81 s ASP 178 CO 0.12 -1.38 1.91 1.56 0.52 0.00 0.00 175.17 177.90 3m81 h GLN 179 N 9.41 0.00 0.00 4.34 4.20 -1.92 0.10 115.11 131.23 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 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3m81 h GLN 179 CO 1.16 0.00 -0.25 0.39 -0.67 0.00 0.00 178.83 179.45 3m81 n GLU 180 N -2.60 0.09 -2.69 1.46 -0.58 -1.26 -4.21 120.64 110.86 3m81 n GLU 180 Ca -0.01 0.05 -0.18 0.00 -0.42 0.00 0.00 57.16 56.60 3m81 n GLU 180 Cb 0.12 -1.58 0.01 0.00 -0.57 0.00 0.00 31.44 29.42 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 -1.73 2.14 -3.48 3.49 1.74 0.02 -4.90 116.66 113.93 3m81 n ARG 181 Ca 0.06 -3.87 -0.38 0.00 -0.77 0.00 0.00 57.85 52.88 3m81 n ARG 181 Cb 0.37 -1.75 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 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 -4.03 5.24 -0.08 0.55 1.01 -1.24 -0.79 121.20 121.86 3m81 s ILE 182 Ca 0.38 0.42 -0.00 0.00 0.00 0.00 0.00 60.65 61.45 3m81 s ILE 182 Cb 0.41 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3m81 s ILE 182 CO -0.07 0.21 -0.05 -0.69 0.00 0.00 0.00 174.94 174.33 3m81 s VAL 183 N 1.82 3.82 -0.12 2.92 1.01 0.64 -0.45 120.40 130.04 3m81 s VAL 183 Ca 0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3m81 s VAL 183 Cb -0.16 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3m81 s VAL 183 CO 0.10 0.59 0.02 0.27 0.00 0.00 0.00 175.10 176.08 3m81 s ILE 184 N -0.66 4.48 -0.01 2.22 -4.36 0.15 -0.06 121.20 122.95 3m81 s ILE 184 Ca 0.10 -0.17 -0.01 0.00 -0.26 0.00 0.00 60.65 60.32 3m81 s ILE 184 Cb -0.12 -2.94 0.01 0.00 1.25 0.00 0.00 42.46 40.67 3m81 s ILE 184 CO 0.02 0.56 0.03 0.00 0.24 0.00 0.00 174.94 175.79 3m81 s ALA 185 N -0.44 -0.04 -0.12 2.27 0.00 0.27 -0.61 121.76 123.08 3m81 s ALA 185 Ca 0.09 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.89 3m81 s ALA 185 Cb -0.12 -0.11 0.13 0.00 0.00 0.00 0.00 23.12 23.02 3m81 s ALA 185 CO 0.02 -0.04 1.04 0.20 0.00 0.00 0.00 175.76 176.98 3m81 s GLY 186 N 0.29 -0.32 0.10 0.00 0.00 -0.69 -0.73 107.32 105.98 3m81 s GLY 186 Ca -0.02 1.59 0.08 0.00 0.00 0.00 0.00 44.72 46.37 3m81 s GLY 186 CO -0.01 0.64 -0.14 -0.32 0.00 0.00 0.00 173.10 173.27 3m81 s GLY 187 N -1.90 1.73 0.00 0.20 0.00 -1.26 -1.31 107.32 104.78 3m81 s GLY 187 Ca 0.05 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.49 3m81 s GLY 187 CO -0.05 -1.24 0.00 1.44 0.00 0.00 0.00 173.10 173.25 3m81 n SER 188 N 0.86 0.00 -0.34 1.64 7.64 0.09 -0.35 113.62 123.15 3m81 n SER 188 Ca -0.15 0.00 0.19 0.00 1.01 0.00 0.00 58.87 59.92 3m81 n SER 188 Cb 0.52 0.00 0.40 0.00 -1.01 0.00 0.00 64.21 64.13 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 0.52 -0.94 1.43 4.15 -1.84 0.34 115.11 118.77 3m81 h GLN 189 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3m81 h GLN 189 Cb 0.00 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 3m81 h GLN 189 CO 0.00 0.34 0.58 0.78 -1.93 0.00 0.00 178.83 178.60 3m81 h GLY 190 N 0.53 1.35 1.02 2.39 0.00 -0.65 -0.75 103.07 106.96 3m81 h GLY 190 Ca 0.66 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 3m81 h GLY 190 CO -0.50 0.53 0.43 -1.33 0.00 0.00 0.00 176.54 175.67 3m81 h GLY 191 N 1.28 1.19 1.12 4.60 0.00 -0.11 0.66 103.07 111.81 3m81 h GLY 191 Ca 0.34 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3m81 h GLY 191 CO -0.07 0.52 -0.23 -1.33 0.00 0.00 0.00 176.54 175.44 3m81 h GLY 192 N 1.10 1.08 0.95 4.60 0.00 -0.69 -0.88 103.07 109.24 3m81 h GLY 192 Ca 0.28 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 3m81 h GLY 192 CO -0.04 0.88 -0.01 -2.22 0.00 0.00 0.00 176.54 175.15 3m81 h ILE 193 N 0.86 1.02 -0.88 2.60 2.04 -0.93 -2.12 117.51 120.10 3m81 h ILE 193 Ca 0.11 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3m81 h ILE 193 Cb 0.81 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 3m81 h ILE 193 CO 0.07 0.03 0.56 0.00 0.00 0.00 0.00 178.15 178.81 3m81 h ALA 194 N 0.90 1.19 -0.37 1.87 0.00 -0.59 -0.59 119.26 121.67 3m81 h ALA 194 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m81 h ALA 194 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3m81 h ALA 194 CO 0.00 0.35 0.22 1.25 0.00 0.00 0.00 179.25 181.07 3m81 h LEU 195 N 1.04 0.46 -0.34 0.00 5.85 -1.03 0.22 115.31 121.50 3m81 h LEU 195 Ca 0.37 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3m81 h LEU 195 Cb 0.10 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3m81 h LEU 195 CO -0.15 0.39 0.11 0.00 -0.34 0.00 0.00 178.44 178.45 3m81 h ALA 196 N 1.08 0.39 -0.34 1.25 0.00 -0.57 -2.36 119.26 118.73 3m81 h ALA 196 Ca 0.13 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3m81 h ALA 196 Cb 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3m81 h ALA 196 CO -0.02 -0.28 0.02 0.28 0.00 0.00 0.00 179.25 179.25 3m81 h VAL 197 N 0.25 1.19 -0.01 0.00 2.07 -0.47 -1.72 116.25 117.57 3m81 h VAL 197 Ca 0.16 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3m81 h VAL 197 Cb 0.14 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3m81 h VAL 197 CO -0.17 0.25 0.01 0.77 0.02 0.00 0.00 177.57 178.45 3m81 h SER 198 N 0.50 0.00 0.32 0.57 4.64 -0.04 0.90 113.55 120.43 3m81 h SER 198 Ca 0.11 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.11 3m81 h SER 198 Cb 0.29 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 3m81 h SER 198 CO 0.01 0.00 -1.93 0.00 -0.87 0.00 0.00 176.83 174.03 3m81 n ALA 199 N -2.32 1.44 -0.04 5.18 0.00 -0.71 -4.41 120.51 119.64 3m81 n ALA 199 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 53.44 52.53 3m81 n ALA 199 Cb 0.09 -0.64 -0.16 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.01 0.00 -4.84 0.00 4.77 -0.80 -4.89 117.00 108.23 3m81 n LEU 200 Ca -0.23 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.40 3m81 n LEU 200 Cb 1.08 0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 42.31 3m81 n LEU 200 CO 0.44 0.20 0.32 -0.55 -1.33 0.00 0.00 177.39 176.46 3m81 s SER 201 N -4.82 6.88 -0.00 -1.43 0.15 0.27 -4.98 113.70 109.77 3m81 s SER 201 Ca -0.08 1.20 0.19 0.00 0.70 0.00 0.00 55.95 57.96 3m81 s SER 201 Cb 0.10 -2.34 -0.22 0.00 -1.71 0.00 0.00 66.02 61.86 3m81 s SER 201 CO 0.84 0.03 0.75 0.29 1.20 0.00 0.00 173.24 176.35 3m81 n LYS 202 N 0.57 0.79 -0.02 5.44 4.76 -1.26 -4.52 118.16 123.92 3m81 n LYS 202 Ca -0.03 -0.02 0.03 0.00 -2.87 0.00 0.00 58.31 55.42 3m81 n LYS 202 Cb 0.52 -1.39 -0.14 0.00 -1.84 0.00 0.00 35.03 32.17 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 -1.53 0.66 -2.07 1.97 4.76 -1.26 -4.97 118.16 115.71 3m81 n LYS 203 Ca 0.03 -0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 54.99 3m81 n LYS 203 Cb 0.32 -1.59 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 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 -3.13 3.60 -0.13 7.82 0.00 -1.26 -4.76 121.76 123.89 3m81 s ALA 204 Ca -0.07 1.27 0.13 0.00 0.00 0.00 0.00 51.96 53.29 3m81 s ALA 204 Cb 0.11 -3.53 -0.19 0.00 0.00 0.00 0.00 23.12 19.50 3m81 s ALA 204 CO 0.86 -0.69 0.09 1.63 0.00 0.00 0.00 175.76 177.66 3m81 n LYS 205 N 2.35 1.45 -3.82 0.00 4.76 0.41 -4.94 118.16 118.37 3m81 n LYS 205 Ca 0.06 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.37 3m81 n LYS 205 Cb 0.41 -1.38 -0.09 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.45 -0.48 -0.13 7.82 0.00 -1.15 -4.08 121.76 121.28 3m81 s ALA 206 Ca -0.07 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.82 3m81 s ALA 206 Cb 0.05 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3m81 s ALA 206 CO 0.61 -0.32 -0.21 -1.17 0.00 0.00 0.00 175.76 174.67 3m81 s LEU 207 N -1.79 2.20 -0.23 0.00 2.96 -0.02 -0.68 118.68 121.12 3m81 s LEU 207 Ca -0.09 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.21 3m81 s LEU 207 Cb -0.03 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.17 3m81 s LEU 207 CO -0.01 0.11 0.03 -0.76 -1.32 0.00 0.00 176.35 174.40 3m81 s LEU 208 N 0.65 3.29 -0.30 -0.68 1.43 0.22 -0.92 118.68 122.36 3m81 s LEU 208 Ca -0.11 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3m81 s LEU 208 Cb -0.16 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.29 3m81 s LEU 208 CO 0.02 -0.01 0.12 0.00 0.23 0.00 0.00 176.35 176.71 3m81 s ASP 210 N 1.82 5.95 -1.08 0.00 1.01 -0.42 -2.22 116.67 121.73 3m81 s ASP 210 Ca 0.10 0.23 -0.22 0.00 0.71 0.00 0.00 52.55 53.36 3m81 s ASP 210 Cb -0.17 -1.98 0.03 0.00 1.01 0.00 0.00 42.92 41.82 3m81 s ASP 210 CO -0.30 0.26 0.42 1.33 0.21 0.00 0.00 175.17 177.09 3m81 n VAL 211 N 2.99 -1.81 -2.23 -1.27 0.24 -0.33 -0.73 118.33 115.19 3m81 n VAL 211 Ca -0.17 -0.47 -0.40 0.00 -2.04 0.00 0.00 64.34 61.26 3m81 n VAL 211 Cb 0.53 -1.57 -0.02 0.00 -1.47 0.00 0.00 33.84 31.31 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 -6.97 4.25 0.40 7.34 0.04 -1.26 -2.05 135.00 136.74 3m81 s PRO 212 Ca 0.31 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.44 3m81 s PRO 212 Cb -0.17 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 3m81 s PRO 212 CO 0.81 -0.21 0.40 0.12 0.04 0.00 0.00 177.00 178.17 3m81 s PHE 213 N -1.25 2.79 -0.73 0.56 5.36 -0.89 -4.64 117.98 119.17 3m81 s PHE 213 Ca 0.52 -0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 56.04 3m81 s PHE 213 Cb -0.35 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.21 3m81 s PHE 213 CO 0.46 -0.10 0.37 1.28 -1.46 0.00 0.00 175.22 175.77 3m81 n LEU 214 N -1.57 -2.26 -4.09 6.12 4.77 -1.26 -3.52 117.00 115.19 3m81 n LEU 214 Ca 0.03 -0.17 -0.24 0.00 -0.03 0.00 0.00 56.01 55.59 3m81 n LEU 214 Cb 0.61 -1.72 -0.16 0.00 -2.33 0.00 0.00 43.42 39.82 3m81 n LEU 214 CO 0.42 0.17 -0.48 0.00 -1.33 0.00 0.00 177.39 176.17 3m81 n HIS 216 N 3.20 -1.80 -0.26 0.00 -0.00 -1.26 -4.65 115.22 110.44 3m81 n HIS 216 Ca -0.18 0.75 0.06 0.00 -0.00 0.00 0.00 57.72 58.35 3m81 n HIS 216 Cb 0.53 -3.99 0.16 0.00 -0.00 0.00 0.00 29.99 26.69 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 -0.06 -0.86 1.57 0.04 -1.95 -0.87 116.94 112.97 3m81 h PHE 217 Ca -0.63 0.06 0.09 0.00 2.80 0.00 0.00 57.97 60.29 3m81 h PHE 217 Cb 1.37 0.15 -0.07 0.00 2.20 0.00 0.00 35.95 39.59 3m81 h PHE 217 CO 0.46 -0.25 0.51 -0.09 -0.60 0.00 0.00 178.31 178.33 3m81 h ARG 218 N 0.10 0.84 -0.03 1.51 9.65 -1.99 -1.64 114.38 122.81 3m81 h ARG 218 Ca 0.42 -0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 59.11 3m81 h ARG 218 Cb 0.75 -0.19 0.01 0.00 -1.39 0.00 0.00 29.97 29.15 3m81 h ARG 218 CO -0.68 0.56 -0.55 -0.09 2.80 0.00 0.00 179.97 182.00 3m81 h ARG 219 N 0.87 0.44 -0.46 0.20 9.65 -1.57 -3.24 114.38 120.25 3m81 h ARG 219 Ca 0.41 -0.42 0.09 0.00 -1.10 0.00 0.00 59.98 58.95 3m81 h ARG 219 Cb 0.33 0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 28.93 3m81 h ARG 219 CO -0.23 1.07 -0.32 0.00 2.80 0.00 0.00 179.97 183.30 3m81 h ALA 220 N 0.37 -0.11 0.00 2.80 0.00 -0.62 -1.40 119.26 120.31 3m81 h ALA 220 Ca -0.06 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3m81 h ALA 220 Cb 1.24 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 3m81 h ALA 220 CO 0.11 -0.69 -0.09 0.28 0.00 0.00 0.00 179.25 178.85 3m81 h VAL 221 N -0.21 0.38 0.00 0.00 2.07 -1.43 -2.11 116.25 114.94 3m81 h VAL 221 Ca 0.19 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3m81 h VAL 221 Cb 0.53 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3m81 h VAL 221 CO -0.58 0.09 -0.88 0.00 0.02 0.00 0.00 177.57 176.22 3m81 n GLN 222 N -3.42 0.27 -0.12 1.57 6.02 -0.73 -4.49 117.38 116.48 3m81 n GLN 222 Ca -0.01 0.02 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 3m81 n GLN 222 Cb 0.25 -1.62 -0.12 0.00 1.02 0.00 0.00 30.24 29.78 3m81 n GLN 222 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3m81 n LEU 223 N -1.98 2.61 -4.33 1.08 0.00 -0.60 -5.02 117.00 108.75 3m81 n LEU 223 Ca 0.02 -0.11 -0.21 0.00 0.00 0.00 0.00 56.01 55.71 3m81 n LEU 223 Cb 0.43 -0.69 -0.11 0.00 0.00 0.00 0.00 43.42 43.05 3m81 n LEU 223 CO 0.39 0.86 -0.48 0.68 0.00 0.00 0.00 177.39 178.84 3m81 s VAL 224 N -2.48 1.80 -0.21 1.96 -7.23 -0.90 -5.02 120.40 108.31 3m81 s VAL 224 Ca -0.30 -1.96 0.15 0.00 -1.81 0.00 0.00 61.98 58.06 3m81 s VAL 224 Cb 0.08 -1.87 0.34 0.00 0.56 0.00 0.00 36.38 35.50 3m81 s VAL 224 CO 0.59 -0.36 1.24 -0.90 -0.31 0.00 0.00 175.10 175.36 3m81 n ASP 225 N 0.20 2.92 -4.83 4.85 5.68 -1.26 -4.68 116.55 119.43 3m81 n ASP 225 Ca -0.12 -2.82 -0.32 0.00 -0.50 0.00 0.00 54.79 51.03 3m81 n ASP 225 Cb 0.57 -0.40 0.00 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 -2.43 4.21 0.42 2.12 -4.23 -1.26 -4.71 115.64 109.75 3m81 s THR 226 Ca 0.31 0.95 -0.19 0.00 -1.18 0.00 0.00 61.69 61.57 3m81 s THR 226 Cb 0.25 -3.57 -0.10 0.00 1.34 0.00 0.00 72.50 70.42 3m81 s THR 226 CO 0.06 -0.72 0.91 -1.00 -0.54 0.00 0.00 174.62 173.33 3m81 s HIS 227 N -2.71 3.34 -1.63 3.99 3.76 -1.26 -0.83 115.29 119.94 3m81 s HIS 227 Ca 0.60 1.51 0.26 0.00 -0.15 0.00 0.00 55.06 57.29 3m81 s HIS 227 Cb -0.13 -2.78 0.76 0.00 1.11 0.00 0.00 32.58 31.54 3m81 s HIS 227 CO 0.41 -0.09 1.57 -2.30 -0.85 0.00 0.00 174.74 173.47 3m81 n PRO 228 N -0.68 0.69 0.05 8.40 -0.02 -1.26 -4.88 135.00 137.30 3m81 n PRO 228 Ca 0.06 -0.40 0.13 0.00 -2.02 0.00 0.00 63.50 61.28 3m81 n PRO 228 Cb 0.54 -1.49 0.60 0.00 -0.02 0.00 0.00 33.50 33.13 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 0.97 0.16 0.00 6.00 0.05 -1.85 -1.73 116.97 120.57 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 0.49 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.18 3m81 h TYR 229 CO 0.00 0.08 0.00 0.00 -1.05 0.00 0.00 178.16 177.19 3m81 h ALA 230 N 1.80 1.00 -0.76 3.88 0.00 -1.27 -2.30 119.26 121.61 3m81 h ALA 230 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3m81 h ALA 230 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3m81 h ALA 230 CO -0.03 0.00 0.41 0.93 0.00 0.00 0.00 179.25 180.56 3m81 h GLU 231 N 0.00 1.07 -0.10 0.00 5.08 -1.59 -0.63 114.58 118.41 3m81 h GLU 231 Ca 0.00 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3m81 h GLU 231 Cb 0.15 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3m81 h GLU 231 CO 0.00 0.80 -0.03 0.82 -1.00 0.00 0.00 179.01 179.60 3m81 h ILE 232 N 1.05 1.30 -0.84 3.13 2.04 -1.60 -2.12 117.51 120.47 3m81 h ILE 232 Ca 0.27 -0.98 0.10 0.00 1.00 0.00 0.00 64.86 65.25 3m81 h ILE 232 Cb 0.05 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 3m81 h ILE 232 CO -0.04 0.28 0.48 0.74 0.00 0.00 0.00 178.15 179.60 3m81 h THR 233 N -0.14 0.89 -0.41 -0.27 2.02 -1.46 -0.76 112.91 112.78 3m81 h THR 233 Ca 0.02 -0.27 -0.15 0.00 0.77 0.00 0.00 66.41 66.79 3m81 h THR 233 Cb 0.45 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3m81 h THR 233 CO 0.01 0.14 -0.32 0.78 0.37 0.00 0.00 175.52 176.51 3m81 h ASN 234 N 0.79 0.97 -0.38 4.18 2.35 -1.03 0.12 115.58 122.58 3m81 h ASN 234 Ca 0.41 -0.41 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3m81 h ASN 234 Cb 0.40 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 3m81 h ASN 234 CO -0.26 1.20 0.14 0.15 -1.65 0.00 0.00 177.43 177.01 3m81 h PHE 235 N 0.77 0.26 -0.18 1.19 3.04 -0.91 -2.67 116.94 118.44 3m81 h PHE 235 Ca 0.08 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.97 3m81 h PHE 235 Cb 0.90 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 3m81 h PHE 235 CO 0.06 0.11 -0.24 -0.07 -2.02 0.00 0.00 178.31 176.15 3m81 h LEU 236 N 0.31 0.33 -1.26 0.59 3.38 -0.65 0.14 115.31 118.15 3m81 h LEU 236 Ca 0.17 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3m81 h LEU 236 Cb 0.14 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3m81 h LEU 236 CO -0.16 0.58 0.55 0.11 0.09 0.00 0.00 178.44 179.61 3m81 h LYS 237 N 0.30 0.81 0.00 1.13 1.57 -0.64 -3.27 116.57 116.47 3m81 h LYS 237 Ca 0.05 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3m81 h LYS 237 Cb 0.60 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3m81 h LYS 237 CO 0.04 0.54 -0.60 1.15 -0.57 0.00 0.00 179.45 180.01 3m81 h THR 238 N 0.84 0.35 -0.32 -0.16 2.02 -1.29 -3.41 112.91 110.93 3m81 h THR 238 Ca 0.38 -1.39 -0.72 0.00 0.77 0.00 0.00 66.41 65.45 3m81 h THR 238 Cb 0.38 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 3m81 h THR 238 CO -0.15 0.12 2.96 1.41 0.37 0.00 0.00 175.52 180.22 3m81 n HIS 239 N -4.59 3.27 0.33 3.16 8.25 -0.00 -4.75 115.22 120.88 3m81 n HIS 239 Ca -0.13 -2.95 0.15 0.00 -0.26 0.00 0.00 57.72 54.54 3m81 n HIS 239 Cb 0.35 -2.40 0.64 0.00 1.12 0.00 0.00 29.99 29.70 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 5.80 0.00 -0.14 -0.41 3.08 -1.80 -1.42 114.38 119.49 3m81 h ARG 240 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.62 3m81 h ARG 240 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3m81 h ARG 240 CO 1.81 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 180.31 3m81 n ASP 241 N -2.68 1.16 -0.23 7.04 5.75 -1.26 -4.29 116.55 122.03 3m81 n ASP 241 Ca 0.01 -1.70 0.02 0.00 -0.01 0.00 0.00 54.79 53.11 3m81 n ASP 241 Cb 0.24 -0.09 0.05 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.01 2.94 0.00 0.11 4.76 -0.54 -4.77 118.16 120.68 3m81 n LYS 242 Ca 0.14 -1.70 -0.10 0.00 -2.87 0.00 0.00 58.31 53.79 3m81 n LYS 242 Cb 0.23 -1.10 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 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 0.73 -0.28 -0.57 1.97 4.81 -1.75 -0.76 114.58 118.73 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 0.58 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 3m81 h GLU 243 CO 0.00 -0.19 0.24 1.49 -0.73 0.00 0.00 179.01 179.82 3m81 h GLU 244 N -0.29 0.84 -0.58 1.92 4.81 -1.94 -2.11 114.58 117.22 3m81 h GLU 244 Ca 0.10 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3m81 h GLU 244 Cb 0.44 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3m81 h GLU 244 CO -0.30 0.72 0.33 0.82 -0.73 0.00 0.00 179.01 179.85 3m81 h ILE 245 N 0.78 1.18 -0.30 2.32 2.04 -1.84 -0.99 117.51 120.70 3m81 h ILE 245 Ca 0.19 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3m81 h ILE 245 Cb 0.18 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3m81 h ILE 245 CO -0.02 0.19 0.17 0.58 0.00 0.00 0.00 178.15 179.07 3m81 h VAL 246 N 0.78 1.12 -0.02 1.67 2.07 -0.78 -0.75 116.25 120.35 3m81 h VAL 246 Ca 0.20 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 3m81 h VAL 246 Cb 0.02 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3m81 h VAL 246 CO -0.03 0.12 -0.71 -0.26 0.02 0.00 0.00 177.57 176.71 3m81 h PHE 247 N 0.37 0.14 0.08 1.57 0.04 -1.29 -1.13 116.94 116.72 3m81 h PHE 247 Ca 0.11 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3m81 h PHE 247 Cb 0.05 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3m81 h PHE 247 CO -0.03 0.78 -0.04 -0.09 -0.60 0.00 0.00 178.31 178.33 3m81 h ARG 248 N 0.07 -0.10 -0.34 1.51 2.43 -0.86 -0.91 114.38 116.18 3m81 h ARG 248 Ca -0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3m81 h ARG 248 Cb 1.26 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 3m81 h ARG 248 CO 0.10 -0.07 0.17 1.15 -1.51 0.00 0.00 179.97 179.82 3m81 h THR 249 N -0.10 0.99 0.00 0.20 2.02 -0.92 -2.61 112.91 112.48 3m81 h THR 249 Ca -0.01 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3m81 h THR 249 Cb 0.08 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3m81 h THR 249 CO 0.02 0.07 -0.16 -0.07 0.37 0.00 0.00 175.52 175.75 3m81 h LEU 250 N 0.36 0.00 -1.99 2.58 3.38 -0.99 -2.26 115.31 116.39 3m81 h LEU 250 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3m81 h LEU 250 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3m81 h LEU 250 CO -0.10 0.16 -0.01 0.77 0.09 0.00 0.00 178.44 179.35 3m81 h SER 251 N 0.00 0.00 0.73 -0.43 4.64 -0.76 -0.96 113.55 116.77 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 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 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 -4.51 0.13 -0.08 4.77 4.02 -0.85 -3.41 117.16 117.23 3m81 n TYR 252 Ca -0.03 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3m81 n TYR 252 Cb 0.10 -0.57 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 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 -1.61 0.00 -2.75 -0.72 3.72 -0.40 -5.03 117.46 110.67 3m81 n PHE 253 Ca 0.05 -0.36 -0.42 0.00 -0.05 0.00 0.00 57.45 56.66 3m81 n PHE 253 Cb 0.24 -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 -0.73 7.10 0.51 4.37 -1.08 -0.99 -4.88 116.67 120.98 3m81 s ASP 254 Ca 0.00 1.36 0.28 0.00 -0.52 0.00 0.00 52.55 53.67 3m81 s ASP 254 Cb 0.00 -2.52 1.38 0.00 -1.46 0.00 0.00 42.92 40.33 3m81 s ASP 254 CO 0.00 -0.50 1.89 1.23 0.52 0.00 0.00 175.17 178.31 3m81 h GLY 255 N 8.56 0.21 1.01 2.66 0.00 -1.27 -0.57 103.07 113.67 3m81 h GLY 255 Ca -0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3m81 h GLY 255 CO 0.89 -0.00 0.33 -2.08 0.00 0.00 0.00 176.54 175.67 3m81 h VAL 256 N 0.09 1.24 -0.28 4.60 2.07 -1.91 0.29 116.25 122.35 3m81 h VAL 256 Ca 0.42 -0.68 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 3m81 h VAL 256 Cb 1.52 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3m81 h VAL 256 CO -0.05 0.28 -0.34 0.78 0.02 0.00 0.00 177.57 178.27 3m81 h ASN 257 N 1.00 0.64 -0.20 0.57 2.35 -1.45 -2.35 115.58 116.15 3m81 h ASN 257 Ca 0.24 -0.26 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 3m81 h ASN 257 Cb 0.14 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3m81 h ASN 257 CO -0.03 0.93 -0.43 -0.26 -1.65 0.00 0.00 177.43 175.99 3m81 h PHE 258 N 0.52 0.91 -0.53 1.19 0.04 -1.21 -3.19 116.94 114.67 3m81 h PHE 258 Ca 0.06 -0.28 0.06 0.00 2.80 0.00 0.00 57.97 60.61 3m81 h PHE 258 Cb 0.83 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.74 3m81 h PHE 258 CO 0.04 1.05 0.23 0.00 -0.60 0.00 0.00 178.31 179.02 3m81 h ALA 259 N 0.91 0.67 0.00 2.45 0.00 -0.23 -0.51 119.26 122.55 3m81 h ALA 259 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m81 h ALA 259 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3m81 h ALA 259 CO 0.09 -0.14 0.11 0.00 0.00 0.00 0.00 179.25 179.31 3m81 h ALA 260 N 1.32 1.09 0.00 0.00 0.00 -1.41 -1.78 119.26 118.49 3m81 h ALA 260 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3m81 h ALA 260 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3m81 h ALA 260 CO -0.21 -0.09 -0.95 0.54 0.00 0.00 0.00 179.25 178.53 3m81 n ARG 261 N -2.57 1.76 -2.72 0.00 1.74 -0.26 -4.63 116.66 109.99 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 0.16 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.54 3.35 -0.01 7.54 0.00 -0.73 -4.83 121.76 124.54 3m81 s ALA 262 Ca 0.02 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.71 3m81 s ALA 262 Cb 0.10 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 3m81 s ALA 262 CO 0.60 0.16 0.15 1.63 0.00 0.00 0.00 175.76 178.30 3m81 n LYS 263 N 1.46 0.20 -2.50 0.00 4.76 -1.26 -1.09 118.16 119.74 3m81 n LYS 263 Ca -0.02 -0.06 -0.33 0.00 -2.87 0.00 0.00 58.31 55.03 3m81 n LYS 263 Cb 0.47 -1.16 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 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 -2.47 4.03 0.56 -0.18 -4.36 -1.26 -4.18 121.20 113.35 3m81 s ILE 264 Ca -0.02 1.17 -0.21 0.00 -0.26 0.00 0.00 60.65 61.33 3m81 s ILE 264 Cb 0.04 -3.51 -0.04 0.00 1.25 0.00 0.00 42.46 40.20 3m81 s ILE 264 CO 0.28 -0.37 1.30 -2.16 0.24 0.00 0.00 174.94 174.23 3m81 s PRO 265 N -3.49 3.07 -0.01 0.37 0.04 -1.26 -4.26 135.00 129.47 3m81 s PRO 265 Ca 0.64 2.07 -0.01 0.00 0.04 0.00 0.00 61.00 63.75 3m81 s PRO 265 Cb -0.14 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3m81 s PRO 265 CO 0.23 -1.20 0.02 0.00 0.04 0.00 0.00 177.00 176.10 3m81 s ALA 266 N -1.40 -0.05 -0.25 8.56 0.00 -0.23 -0.84 121.76 127.55 3m81 s ALA 266 Ca 0.74 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 3m81 s ALA 266 Cb -0.37 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.73 3m81 s ALA 266 CO 0.42 -0.02 -0.06 -1.17 0.00 0.00 0.00 175.76 174.93 3m81 s LEU 267 N 0.07 3.27 0.29 0.00 2.96 -0.10 -1.74 118.68 123.43 3m81 s LEU 267 Ca -0.01 -0.96 0.04 0.00 -0.22 0.00 0.00 54.13 52.98 3m81 s LEU 267 Cb -0.01 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 3m81 s LEU 267 CO -0.00 -0.15 0.43 -0.36 -1.32 0.00 0.00 176.35 174.95 3m81 s PHE 268 N 1.30 3.41 0.02 5.38 0.40 0.09 -1.43 117.98 127.14 3m81 s PHE 268 Ca -0.01 0.05 -0.03 0.00 -0.60 0.00 0.00 56.93 56.33 3m81 s PHE 268 Cb -0.17 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 3m81 s PHE 268 CO -0.04 0.27 0.04 -1.54 0.70 0.00 0.00 175.22 174.65 3m81 s SER 269 N -4.03 0.19 -0.07 1.36 1.04 -0.94 -1.39 113.70 109.85 3m81 s SER 269 Ca 0.37 -0.46 -0.12 0.00 0.48 0.00 0.00 55.95 56.22 3m81 s SER 269 Cb -0.09 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.22 3m81 s SER 269 CO 0.31 -0.39 0.29 0.54 0.98 0.00 0.00 173.24 174.98 3m81 s VAL 270 N -1.88 0.03 -0.19 5.02 0.11 -0.64 -1.18 120.40 121.67 3m81 s VAL 270 Ca -0.12 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 58.66 3m81 s VAL 270 Cb -0.06 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 3m81 s VAL 270 CO -0.02 -0.12 0.00 -0.83 -3.33 0.00 0.00 175.10 170.80 3m81 s GLY 271 N -0.47 1.75 0.06 6.54 0.00 -1.26 -0.71 107.32 113.21 3m81 s GLY 271 Ca -0.06 -0.91 0.25 0.00 0.00 0.00 0.00 44.72 44.00 3m81 s GLY 271 CO 0.02 0.13 1.79 1.04 0.00 0.00 0.00 173.10 176.08 3m81 n LEU 272 N 3.96 0.19 -0.91 0.66 4.77 -0.75 -2.20 117.00 122.72 3m81 n LEU 272 Ca -0.17 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 3m81 n LEU 272 Cb 0.52 -0.47 0.23 0.00 -2.33 0.00 0.00 43.42 41.37 3m81 n LEU 272 CO 0.32 -0.12 0.69 0.23 -1.33 0.00 0.00 177.39 177.19 3m81 n MET 273 N -1.69 3.06 -2.13 3.23 2.81 -0.44 -4.63 117.12 117.33 3m81 n MET 273 Ca 0.06 -2.50 -0.43 0.00 -1.81 0.00 0.00 57.70 53.02 3m81 n MET 273 Cb 0.31 -1.59 -0.02 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.32 6.33 0.00 7.83 -1.08 -0.93 -4.43 116.67 123.06 3m81 s ASP 274 Ca 0.35 1.49 0.22 0.00 -0.52 0.00 0.00 52.55 54.09 3m81 s ASP 274 Cb 0.24 -2.53 0.51 0.00 -1.46 0.00 0.00 42.92 39.67 3m81 s ASP 274 CO 0.15 -1.32 1.43 -0.46 0.52 0.00 0.00 175.17 175.49 3m81 n ASN 275 N 8.68 3.61 -0.11 -0.34 6.94 -1.26 -3.76 115.26 129.02 3m81 n ASN 275 Ca 0.19 -1.98 -0.24 0.00 -0.02 0.00 0.00 54.58 52.53 3m81 n ASN 275 Cb 0.46 -0.35 -0.11 0.00 -2.36 0.00 0.00 39.78 37.41 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 1.46 1.55 -3.95 1.53 2.08 -1.26 -4.57 119.36 116.20 3m81 n ILE 276 Ca 0.21 -0.20 -0.30 0.00 0.56 0.00 0.00 62.75 63.02 3m81 n ILE 276 Cb 0.59 -1.95 -0.14 0.00 -0.75 0.00 0.00 39.64 37.39 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 -0.11 4.00 0.30 0.00 0.02 -1.25 -4.73 135.00 133.23 3m81 s PRO 278 Ca 0.16 2.46 0.06 0.00 0.02 0.00 0.00 61.00 63.70 3m81 s PRO 278 Cb -0.25 -2.87 0.75 0.00 0.02 0.00 0.00 34.50 32.15 3m81 s PRO 278 CO -0.01 -0.58 1.75 -1.35 -0.33 0.00 0.00 177.00 176.48 3m81 h PRO 279 N 2.81 0.64 -0.43 5.54 0.11 -1.78 0.46 132.00 139.35 3m81 h PRO 279 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3m81 h PRO 279 Cb 1.25 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3m81 h PRO 279 CO 0.63 0.42 0.29 0.66 -0.21 0.00 0.00 178.00 179.79 3m81 h SER 280 N 0.66 0.50 -0.19 -2.05 4.64 -1.93 0.19 113.55 115.37 3m81 h SER 280 Ca 0.58 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.74 3m81 h SER 280 Cb 0.97 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3m81 h SER 280 CO -0.42 0.36 -0.44 0.71 -0.87 0.00 0.00 176.83 176.17 3m81 h THR 281 N 0.59 1.33 0.00 2.95 1.35 -1.24 -1.76 112.91 116.12 3m81 h THR 281 Ca 0.16 -1.68 -0.00 0.00 -0.55 0.00 0.00 66.41 64.34 3m81 h THR 281 Cb -0.07 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3m81 h THR 281 CO -0.03 0.52 -0.00 0.58 -0.25 0.00 0.00 175.52 176.34 3m81 h VAL 282 N 0.32 1.10 -0.72 6.82 2.07 -0.91 -2.61 116.25 122.31 3m81 h VAL 282 Ca -0.00 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3m81 h VAL 282 Cb 1.05 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 3m81 h VAL 282 CO 0.10 0.07 0.39 -0.26 0.02 0.00 0.00 177.57 177.89 3m81 h PHE 283 N -0.12 0.98 -0.43 1.57 0.04 -0.70 -0.60 116.94 117.68 3m81 h PHE 283 Ca -0.00 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 60.83 3m81 h PHE 283 Cb 0.12 -0.32 -0.07 0.00 2.20 0.00 0.00 35.95 37.89 3m81 h PHE 283 CO -0.04 0.69 0.02 0.00 -0.60 0.00 0.00 178.31 178.38 3m81 h ALA 284 N 1.42 0.41 -0.19 2.45 0.00 -1.17 0.64 119.26 122.83 3m81 h ALA 284 Ca 0.26 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3m81 h ALA 284 Cb 0.03 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3m81 h ALA 284 CO -0.04 -0.38 0.06 0.00 0.00 0.00 0.00 179.25 178.89 3m81 h ALA 285 N 1.37 0.25 -0.22 0.00 0.00 -1.00 -2.51 119.26 117.14 3m81 h ALA 285 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3m81 h ALA 285 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3m81 h ALA 285 CO -0.34 -0.12 0.12 -0.92 0.00 0.00 0.00 179.25 177.99 3m81 h TYR 286 N 0.13 0.31 -0.16 0.00 3.20 -0.40 -1.46 116.97 118.60 3m81 h TYR 286 Ca 0.06 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3m81 h TYR 286 Cb 0.24 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3m81 h TYR 286 CO 0.00 0.29 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.85 3m81 h ASN 287 N 0.25 0.22 0.72 -2.11 2.35 0.27 -1.94 115.58 115.34 3m81 h ASN 287 Ca 0.08 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3m81 h ASN 287 Cb 0.08 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3m81 h ASN 287 CO -0.01 0.32 -0.39 -1.22 -1.65 0.00 0.00 177.43 174.48 3m81 n TYR 288 N -4.34 0.14 -1.71 1.19 4.01 -0.95 -4.92 117.16 110.58 3m81 n TYR 288 Ca -0.01 0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 3m81 n TYR 288 Cb 0.21 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 38.80 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 -1.64 2.68 1.01 -0.72 9.36 -0.57 -3.29 117.16 124.00 3m81 n TYR 289 Ca 0.05 -0.02 0.11 0.00 3.32 0.00 0.00 57.90 61.36 3m81 n TYR 289 Cb 0.36 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.38 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 4.58 4.29 -1.95 2.98 0.00 -0.87 -4.93 120.51 124.62 3m81 n ALA 290 Ca 0.17 -0.54 -0.23 0.00 0.00 0.00 0.00 53.44 52.84 3m81 n ALA 290 Cb 0.35 -0.87 0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.93 1.76 0.39 0.00 0.00 -0.25 -4.78 107.32 101.51 3m81 s GLY 291 Ca 0.10 -1.14 -0.28 0.00 0.00 0.00 0.00 44.72 43.40 3m81 s GLY 291 CO 0.79 -0.80 1.48 -1.05 0.00 0.00 0.00 173.10 173.52 3m81 n PRO 292 N -2.62 2.62 -3.62 2.90 -0.02 -1.26 -4.86 135.00 128.14 3m81 n PRO 292 Ca 0.08 0.92 -0.16 0.00 -2.02 0.00 0.00 63.50 62.32 3m81 n PRO 292 Cb 0.60 -2.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 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 -2.16 0.90 0.04 -0.52 -2.85 -1.26 -1.06 119.74 112.83 3m81 s LYS 293 Ca 0.54 0.03 -0.01 0.00 -1.00 0.00 0.00 55.97 55.54 3m81 s LYS 293 Cb -0.47 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 35.69 3m81 s LYS 293 CO 0.63 -0.28 -0.03 -1.21 0.10 0.00 0.00 175.35 174.56 3m81 s GLU 294 N -1.36 0.48 -0.03 1.78 2.02 -0.71 -4.98 118.70 115.89 3m81 s GLU 294 Ca -0.11 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 53.95 3m81 s GLU 294 Cb -0.02 0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.38 3m81 s GLU 294 CO 0.07 -0.08 -0.07 -1.50 0.02 0.00 0.00 175.26 173.70 3m81 s ILE 295 N -2.81 0.65 -0.22 -1.63 2.07 -1.26 -0.73 121.20 117.27 3m81 s ILE 295 Ca -0.03 -0.24 -0.14 0.00 -1.41 0.00 0.00 60.65 58.82 3m81 s ILE 295 Cb -0.00 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 3m81 s ILE 295 CO -0.06 0.23 0.33 -0.13 -1.91 0.00 0.00 174.94 173.40 3m81 s ARG 296 N 0.50 4.13 -0.21 3.50 1.81 -0.49 -4.96 118.95 123.24 3m81 s ARG 296 Ca -0.07 0.06 -0.06 0.00 -1.72 0.00 0.00 55.73 53.94 3m81 s ARG 296 Cb -0.11 -3.55 -0.03 0.00 -0.45 0.00 0.00 34.95 30.82 3m81 s ARG 296 CO 0.01 -0.03 0.02 0.42 -0.68 0.00 0.00 175.30 175.04 3m81 s ILE 297 N 1.29 4.13 -0.52 1.52 1.01 -1.26 -1.62 121.20 125.75 3m81 s ILE 297 Ca 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 3m81 s ILE 297 Cb -0.14 -2.88 0.14 0.00 0.01 0.00 0.00 42.46 39.58 3m81 s ILE 297 CO 0.07 0.41 0.30 -0.31 0.00 0.00 0.00 174.94 175.42 3m81 s TYR 298 N 1.04 3.46 0.31 3.97 2.02 0.11 -4.98 117.35 123.27 3m81 s TYR 298 Ca 0.03 -2.74 0.20 0.00 -0.37 0.00 0.00 57.07 54.18 3m81 s TYR 298 Cb -0.14 -3.12 0.96 0.00 -0.40 0.00 0.00 41.96 39.26 3m81 s TYR 298 CO 0.02 -0.87 1.88 -1.35 -1.57 0.00 0.00 175.55 173.66 3m81 h PRO 299 N 7.28 0.00 -0.12 -1.71 0.11 -1.95 -1.96 132.00 133.65 3m81 h PRO 299 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 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 0.69 0.28 0.00 0.66 -0.21 0.00 0.00 178.00 179.42 3m81 n TYR 300 N -3.75 0.13 -3.54 0.65 4.01 -1.26 -4.05 117.16 109.34 3m81 n TYR 300 Ca -0.01 -0.07 -0.35 0.00 -0.16 0.00 0.00 57.90 57.30 3m81 n TYR 300 Cb 0.38 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.63 6.68 0.00 7.72 -0.87 -1.12 -4.84 114.94 120.88 3m81 s ASN 301 Ca 0.27 0.84 0.00 0.00 -1.57 0.00 0.00 52.86 52.40 3m81 s ASN 301 Cb 0.18 -2.20 0.00 0.00 -0.02 0.00 0.00 41.25 39.22 3m81 s ASN 301 CO 0.27 0.18 0.00 0.59 -2.57 0.00 0.00 177.10 175.56 3m81 n ASN 302 N 0.97 0.00 0.21 -1.22 4.13 -1.26 -1.33 115.26 116.77 3m81 n ASN 302 Ca -0.08 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.33 3m81 n ASN 302 Cb 0.52 0.00 0.69 0.00 -1.54 0.00 0.00 39.78 39.46 3m81 n ASN 302 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 3m81 h HIS 303 N 0.00 0.00 0.00 3.10 -0.00 -1.91 -1.79 115.15 114.55 3m81 h HIS 303 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3m81 h HIS 303 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3m81 h HIS 303 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.93 178.98 3m81 h GLU 304 N 0.00 0.00 0.00 5.26 9.09 -2.00 -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 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 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 -0.93 3.05 0.02 1.06 0.00 -0.67 -2.38 105.19 105.34 3m81 n GLY 305 Ca -0.02 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.27 7.00 -0.02 0.00 -1.26 -4.81 105.19 104.83 3m81 n GLY 306 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.33 2.77 0.25 -0.02 0.00 -1.00 -1.30 105.19 107.22 3m81 n GLY 307 Ca 0.13 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 0.21 0.00 -0.67 1.61 0.02 -1.94 -1.93 113.55 110.85 3m81 h SER 308 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 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 0.16 0.38 -0.26 -1.14 0.00 0.00 176.83 175.97 3m81 h PHE 309 N 0.00 0.91 -0.15 3.45 -1.00 -1.61 -2.57 116.94 115.97 3m81 h PHE 309 Ca -0.00 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.65 3m81 h PHE 309 Cb 0.47 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 3m81 h PHE 309 CO 0.00 0.64 -0.40 0.37 -1.61 0.00 0.00 178.31 177.31 3m81 h GLN 310 N 0.92 0.35 -0.84 1.51 5.75 -1.06 -2.47 115.11 119.26 3m81 h GLN 310 Ca 0.24 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3m81 h GLN 310 Cb 0.02 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 3m81 h GLN 310 CO -0.04 0.70 0.54 0.00 -2.65 0.00 0.00 178.83 177.38 3m81 h ALA 311 N 1.29 1.07 -0.26 3.38 0.00 -1.23 -0.35 119.26 123.16 3m81 h ALA 311 Ca 0.03 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3m81 h ALA 311 Cb 0.84 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3m81 h ALA 311 CO 0.07 0.49 0.09 0.28 0.00 0.00 0.00 179.25 180.18 3m81 h VAL 312 N 1.14 0.93 -0.47 0.00 2.07 -1.23 -2.04 116.25 116.65 3m81 h VAL 312 Ca 0.31 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 3m81 h VAL 312 Cb -0.11 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3m81 h VAL 312 CO -0.06 0.04 0.28 -0.33 0.02 0.00 0.00 177.57 177.51 3m81 h GLU 313 N 0.21 0.63 -0.15 1.57 4.39 -0.85 -2.18 114.58 118.20 3m81 h GLU 313 Ca 0.11 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.58 3m81 h GLU 313 Cb 0.08 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3m81 h GLU 313 CO -0.12 0.45 -0.63 1.96 -1.16 0.00 0.00 179.01 179.51 3m81 h GLN 314 N 0.65 0.70 -0.44 2.33 4.20 -0.69 0.62 115.11 122.48 3m81 h GLN 314 Ca 0.17 -0.54 -0.00 0.00 0.06 0.00 0.00 58.65 58.33 3m81 h GLN 314 Cb -0.02 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3m81 h GLN 314 CO -0.03 1.16 0.26 0.28 -0.67 0.00 0.00 178.83 179.83 3m81 h VAL 315 N 0.39 1.15 -0.40 -0.54 2.07 -1.14 -2.16 116.25 115.62 3m81 h VAL 315 Ca -0.03 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3m81 h VAL 315 Cb 1.26 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3m81 h VAL 315 CO 0.13 0.15 0.14 0.11 0.02 0.00 0.00 177.57 178.12 3m81 h LYS 316 N 0.58 0.61 -0.43 1.57 1.57 -1.26 -2.29 116.57 116.91 3m81 h LYS 316 Ca 0.16 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3m81 h LYS 316 Cb 0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3m81 h LYS 316 CO -0.03 0.60 0.25 0.35 -0.57 0.00 0.00 179.45 180.05 3m81 h PHE 317 N 0.50 0.47 -0.17 -1.35 3.57 -0.72 -1.86 116.94 117.37 3m81 h PHE 317 Ca 0.13 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 3m81 h PHE 317 Cb 0.23 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 3m81 h PHE 317 CO 0.01 0.27 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.06 3m81 h LEU 318 N 0.50 0.49 -0.36 0.59 3.38 -1.34 -1.22 115.31 117.35 3m81 h LEU 318 Ca 0.17 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.71 3m81 h LEU 318 Cb 0.02 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 3m81 h LEU 318 CO -0.08 0.90 -0.24 0.50 0.09 0.00 0.00 178.44 179.61 3m81 h LYS 319 N 0.09 -0.18 -0.77 1.13 3.64 -1.27 0.64 116.57 119.84 3m81 h LYS 319 Ca 0.02 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3m81 h LYS 319 Cb 0.79 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 3m81 h LYS 319 CO 0.05 -0.12 0.36 -0.22 -2.27 0.00 0.00 179.45 177.25 3m81 h LYS 320 N -0.19 1.12 -0.69 1.90 3.64 -1.33 -2.79 116.57 118.22 3m81 h LYS 320 Ca 0.18 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3m81 h LYS 320 Cb 0.47 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3m81 h LYS 320 CO -0.47 0.88 0.24 1.25 -2.27 0.00 0.00 179.45 179.07 3m81 h LEU 321 N 1.09 0.99 -1.16 5.20 5.85 -0.14 -3.04 115.31 124.11 3m81 h LEU 321 Ca 0.26 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3m81 h LEU 321 Cb 0.14 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3m81 h LEU 321 CO -0.03 0.92 0.00 0.49 -0.34 0.00 0.00 178.44 179.48 3m81 n PHE 322 N -4.33 0.23 1.27 1.25 3.72 0.12 -5.09 117.46 114.62 3m81 n PHE 322 Ca 0.05 -0.12 0.10 0.00 -0.05 0.00 0.00 57.45 57.44 3m81 n PHE 322 Cb 0.20 0.00 0.60 0.00 -0.94 0.00 0.00 39.48 39.35 3m81 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10