#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m83 s MET 1 N 0.00 4.51 0.47 -1.40 -2.45 -1.26 -5.06 119.30 114.11 3m83 s MET 1 Ca 0.00 1.37 -0.22 0.00 -1.25 0.00 0.00 55.69 55.59 3m83 s MET 1 Cb 0.00 -3.48 -0.07 0.00 1.25 0.00 0.00 34.83 32.52 3m83 s MET 1 CO 0.00 -0.12 1.12 0.00 1.05 0.00 0.00 175.02 177.08 3m83 s ALA 2 N 1.28 2.92 0.32 4.11 0.00 -1.26 -4.98 121.76 124.15 3m83 s ALA 2 Ca 0.50 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 3m83 s ALA 2 Cb -0.20 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.46 3m83 s ALA 2 CO 0.24 -0.57 1.55 0.34 0.00 0.00 0.00 175.76 177.32 3m83 n PHE 3 N -0.65 2.88 -3.70 0.00 7.35 -1.26 -5.03 117.46 117.05 3m83 n PHE 3 Ca 0.08 0.33 -0.14 0.00 -0.76 0.00 0.00 57.45 56.96 3m83 n PHE 3 Cb 0.49 -2.57 -0.09 0.00 0.35 0.00 0.00 39.48 37.66 3m83 n PHE 3 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 3m83 s PHE 4 N -0.39 -0.56 0.00 -5.13 -0.71 -1.26 -4.94 117.98 104.99 3m83 s PHE 4 Ca 0.60 1.35 0.00 0.00 -1.04 0.00 0.00 56.93 57.84 3m83 s PHE 4 Cb -0.49 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.51 3m83 s PHE 4 CO 0.54 -0.28 0.00 -3.47 -1.34 0.00 0.00 175.22 170.66 3m83 n ASP 5 N 2.71 1.24 -4.58 1.98 -0.08 -1.26 -5.09 116.55 111.46 3m83 n ASP 5 Ca -0.14 -0.52 -0.40 0.00 -1.51 0.00 0.00 54.79 52.22 3m83 n ASP 5 Cb 0.56 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.05 3m83 n ASP 5 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3m83 n LEU 6 N 0.00 2.42 -4.66 -2.67 4.77 -1.26 -4.95 117.00 110.65 3m83 n LEU 6 Ca 0.00 0.95 -0.36 0.00 -0.03 0.00 0.00 56.01 56.58 3m83 n LEU 6 Cb 0.00 -1.32 0.09 0.00 -2.33 0.00 0.00 43.42 39.85 3m83 n LEU 6 CO 0.00 -1.82 0.67 -2.65 -1.33 0.00 0.00 177.39 172.26 3m83 n PRO 7 N -0.05 0.65 -0.28 3.23 -0.02 -1.26 -4.66 135.00 132.61 3m83 n PRO 7 Ca 0.11 0.28 0.05 0.00 -2.02 0.00 0.00 63.50 61.92 3m83 n PRO 7 Cb 0.41 -2.33 0.20 0.00 -0.02 0.00 0.00 33.50 31.76 3m83 n PRO 7 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3m83 h LEU 8 N -0.08 0.52 -1.26 2.45 5.85 -1.98 -0.01 115.31 120.79 3m83 h LEU 8 Ca -0.48 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3m83 h LEU 8 Cb 1.33 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 3m83 h LEU 8 CO 0.49 0.24 0.28 -0.33 -0.34 0.00 0.00 178.44 178.78 3m83 h GLU 9 N 0.63 0.79 -0.19 1.25 3.07 -2.00 0.04 114.58 118.18 3m83 h GLU 9 Ca 0.43 -0.09 -0.17 0.00 -0.50 0.00 0.00 59.36 59.03 3m83 h GLU 9 Cb 0.56 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3m83 h GLU 9 CO -0.33 0.61 -0.53 0.93 -1.40 0.00 0.00 179.01 178.28 3m83 h GLU 10 N 0.80 0.69 -0.71 2.33 5.08 -1.67 -3.27 114.58 117.83 3m83 h GLU 10 Ca 0.20 -0.49 0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3m83 h GLU 10 Cb 0.07 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 3m83 h GLU 10 CO -0.03 1.11 0.32 -0.07 -1.00 0.00 0.00 179.01 179.34 3m83 h LEU 11 N 0.39 0.36 -2.42 1.33 3.38 -0.45 -1.32 115.31 116.58 3m83 h LEU 11 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3m83 h LEU 11 Cb 1.15 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3m83 h LEU 11 CO 0.11 0.19 0.00 0.11 0.09 0.00 0.00 178.44 178.94 3m83 h LYS 12 N 0.52 0.00 -0.13 1.13 1.57 -1.05 -2.02 116.57 116.58 3m83 h LYS 12 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3m83 h LYS 12 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3m83 h LYS 12 CO -0.32 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.19 3m83 n LYS 13 N -3.04 1.36 -2.21 3.15 5.02 -0.82 -5.00 118.16 116.63 3m83 n LYS 13 Ca -0.02 -1.48 -0.43 0.00 -2.02 0.00 0.00 58.31 54.37 3m83 n LYS 13 Cb 0.15 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 3m83 n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3m83 s TYR 14 N -0.96 2.13 -0.51 2.13 5.04 -0.56 -4.90 117.35 119.73 3m83 s TYR 14 Ca 0.17 0.64 0.06 0.00 -2.44 0.00 0.00 57.07 55.50 3m83 s TYR 14 Cb 0.10 -4.24 0.21 0.00 0.35 0.00 0.00 41.96 38.38 3m83 s TYR 14 CO 0.15 -2.36 0.51 0.54 -1.34 0.00 0.00 175.55 173.05 3m83 n ARG 15 N 8.31 1.16 -1.39 4.97 1.74 -1.26 -4.30 116.66 125.89 3m83 n ARG 15 Ca 0.19 -3.75 -0.33 0.00 -0.77 0.00 0.00 57.85 53.18 3m83 n ARG 15 Cb 0.48 -1.76 0.09 0.00 -1.02 0.00 0.00 32.46 30.25 3m83 n ARG 15 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3m83 s PRO 16 N -1.17 2.13 0.23 5.56 0.04 -1.26 -4.90 135.00 135.64 3m83 s PRO 16 Ca 0.34 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.68 3m83 s PRO 16 Cb 0.09 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.67 3m83 s PRO 16 CO -0.12 -1.81 1.69 -2.00 0.04 0.00 0.00 177.00 174.79 3m83 s GLU 17 N -4.12 4.12 0.19 4.56 2.12 -1.26 -4.96 118.70 119.36 3m83 s GLU 17 Ca 0.71 2.61 -0.20 0.00 0.36 0.00 0.00 54.97 58.44 3m83 s GLU 17 Cb -0.26 -3.06 -0.08 0.00 0.26 0.00 0.00 34.13 31.00 3m83 s GLU 17 CO 0.47 -0.72 0.70 1.03 -0.54 0.00 0.00 175.26 176.20 3m83 s ARG 18 N 0.66 4.27 -0.17 4.30 0.52 -1.26 -5.07 118.95 122.21 3m83 s ARG 18 Ca 0.71 0.87 0.01 0.00 -0.52 0.00 0.00 55.73 56.80 3m83 s ARG 18 Cb -0.49 -2.97 0.02 0.00 0.52 0.00 0.00 34.95 32.03 3m83 s ARG 18 CO 0.37 0.45 -0.20 -0.47 0.02 0.00 0.00 175.30 175.47 3m83 s TYR 19 N -1.43 2.73 0.07 -0.53 5.04 -1.26 -5.11 117.35 116.86 3m83 s TYR 19 Ca 0.40 -1.59 -0.12 0.00 -2.44 0.00 0.00 57.07 53.32 3m83 s TYR 19 Cb -0.18 -1.89 0.01 0.00 0.35 0.00 0.00 41.96 40.26 3m83 s TYR 19 CO 0.21 -0.78 0.26 -1.83 -1.34 0.00 0.00 175.55 172.07 3m83 s GLU 20 N 1.25 0.83 0.66 4.97 -1.05 -1.26 -4.81 118.70 119.28 3m83 s GLU 20 Ca 0.04 -0.69 -0.11 0.00 -0.15 0.00 0.00 54.97 54.06 3m83 s GLU 20 Cb -0.13 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 33.89 3m83 s GLU 20 CO -0.12 -0.27 1.05 -1.21 0.95 0.00 0.00 175.26 175.66 3m83 s GLU 21 N -3.08 3.22 0.51 -4.83 0.41 -1.26 -4.96 118.70 108.70 3m83 s GLU 21 Ca -0.01 0.91 0.22 0.00 -0.41 0.00 0.00 54.97 55.67 3m83 s GLU 21 Cb 0.01 -2.03 1.33 0.00 -1.78 0.00 0.00 34.13 31.66 3m83 s GLU 21 CO -0.07 -0.88 2.08 0.87 -0.49 0.00 0.00 175.26 176.78 3m83 h LYS 22 N -0.44 0.00 -0.70 1.61 6.56 -2.04 -2.72 116.57 118.84 3m83 h LYS 22 Ca -0.44 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.06 3m83 h LYS 22 Cb 1.20 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.81 3m83 h LYS 22 CO 0.59 0.11 0.12 -0.40 -2.06 0.00 0.00 179.45 177.80 3m83 n ASP 23 N -4.03 4.95 -0.08 0.86 5.75 -1.26 -4.66 116.55 118.08 3m83 n ASP 23 Ca -0.02 -2.95 -0.07 0.00 -0.01 0.00 0.00 54.79 51.73 3m83 n ASP 23 Cb 0.20 -0.70 -0.00 0.00 -1.03 0.00 0.00 41.12 39.59 3m83 n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3m83 h PHE 24 N 3.05 -0.41 -0.47 2.11 3.04 -1.87 0.62 116.94 123.02 3m83 h PHE 24 Ca 0.11 0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.99 3m83 h PHE 24 Cb 2.00 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 40.72 3m83 h PHE 24 CO 1.07 -0.24 -0.12 -0.44 -2.02 0.00 0.00 178.31 176.57 3m83 h ASP 25 N -0.12 0.92 -0.62 0.41 3.32 -1.87 -2.74 116.42 115.72 3m83 h ASP 25 Ca 0.16 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 3m83 h ASP 25 Cb 0.36 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3m83 h ASP 25 CO -0.38 1.07 0.23 -0.33 -1.72 0.00 0.00 179.24 178.11 3m83 h GLU 26 N 0.75 0.94 -0.46 3.56 3.07 -1.83 -0.07 114.58 120.53 3m83 h GLU 26 Ca 0.12 -0.18 0.09 0.00 -0.50 0.00 0.00 59.36 58.89 3m83 h GLU 26 Cb 0.67 -0.15 -0.08 0.00 -0.84 0.00 0.00 28.75 28.36 3m83 h GLU 26 CO 0.05 0.81 -0.06 0.35 -1.40 0.00 0.00 179.01 178.76 3m83 h PHE 27 N 0.87 -0.14 -0.12 4.33 3.57 -0.80 -0.04 116.94 124.62 3m83 h PHE 27 Ca 0.20 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.52 3m83 h PHE 27 Cb 0.23 0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.12 3m83 h PHE 27 CO 0.01 -0.15 -0.82 -1.49 -2.23 0.00 0.00 178.31 173.64 3m83 h TRP 28 N 0.05 0.99 -0.42 0.41 4.06 -1.28 -1.54 115.95 118.22 3m83 h TRP 28 Ca 0.23 -0.45 0.05 0.00 2.06 0.00 0.00 58.89 60.78 3m83 h TRP 28 Cb 0.34 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.31 3m83 h TRP 28 CO -0.35 1.28 0.14 0.93 -3.56 0.00 0.00 178.44 176.89 3m83 h GLU 29 N 0.48 0.30 -0.42 0.49 5.08 -0.86 -0.88 114.58 118.77 3m83 h GLU 29 Ca -0.06 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3m83 h GLU 29 Cb 1.44 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 3m83 h GLU 29 CO 0.16 0.20 -0.05 0.93 -1.00 0.00 0.00 179.01 179.25 3m83 h GLU 30 N 0.31 0.77 -0.21 2.33 5.08 -0.99 -1.51 114.58 120.35 3m83 h GLU 30 Ca 0.20 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3m83 h GLU 30 Cb 0.19 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3m83 h GLU 30 CO -0.21 0.87 0.12 1.15 -1.00 0.00 0.00 179.01 179.95 3m83 h THR 31 N 0.60 1.02 -0.38 1.13 2.02 -1.05 -1.22 112.91 115.04 3m83 h THR 31 Ca 0.11 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.09 3m83 h THR 31 Cb 0.55 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3m83 h THR 31 CO 0.03 0.05 -0.20 -0.07 0.37 0.00 0.00 175.52 175.69 3m83 h LEU 32 N 0.25 0.84 -0.54 2.58 3.38 -1.14 -2.74 115.31 117.93 3m83 h LEU 32 Ca 0.08 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3m83 h LEU 32 Cb -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3m83 h LEU 32 CO -0.04 1.07 0.33 0.00 0.09 0.00 0.00 178.44 179.88 3m83 h ALA 33 N 0.80 0.70 -0.90 1.53 0.00 -1.14 -0.62 119.26 119.63 3m83 h ALA 33 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m83 h ALA 33 Cb 0.76 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3m83 h ALA 33 CO 0.06 0.04 0.58 0.93 0.00 0.00 0.00 179.25 180.85 3m83 h GLU 34 N 0.64 1.20 0.00 0.00 5.08 -1.19 -2.89 114.58 117.43 3m83 h GLU 34 Ca 0.22 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3m83 h GLU 34 Cb 0.03 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3m83 h GLU 34 CO -0.10 0.82 -0.64 0.77 -1.00 0.00 0.00 179.01 178.86 3m83 h SER 35 N 1.23 0.00 0.88 1.42 0.02 -1.15 -3.15 113.55 112.80 3m83 h SER 35 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3m83 h SER 35 Cb -0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3m83 h SER 35 CO -0.07 0.64 0.00 -0.33 -1.14 0.00 0.00 176.83 175.93 3m83 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 -0.91 -2.76 114.58 119.44 3m83 h GLU 36 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m83 h GLU 36 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3m83 h GLU 36 CO 0.08 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.96 3m83 h LYS 37 N 0.00 0.00 -5.88 2.33 1.57 -1.48 -3.42 116.57 109.68 3m83 h LYS 37 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 3m83 h LYS 37 Cb 0.44 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 3m83 h LYS 37 CO 0.00 0.00 -0.30 -0.06 -0.57 0.00 0.00 179.45 178.52 3m83 s PHE 38 N -3.67 3.69 0.34 -1.35 0.40 -1.04 -5.06 117.98 111.28 3m83 s PHE 38 Ca 0.00 0.84 -0.29 0.00 -0.60 0.00 0.00 56.93 56.88 3m83 s PHE 38 Cb 0.10 -2.17 -0.11 0.00 0.51 0.00 0.00 43.02 41.35 3m83 s PHE 38 CO 0.43 0.67 1.41 -2.14 0.70 0.00 0.00 175.22 176.29 3m83 s PRO 39 N -1.05 4.24 0.26 0.24 0.02 -1.26 -4.90 135.00 132.54 3m83 s PRO 39 Ca 0.21 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.57 3m83 s PRO 39 Cb -0.15 -3.03 0.31 0.00 0.02 0.00 0.00 34.50 31.65 3m83 s PRO 39 CO 0.10 -0.37 1.94 1.25 -0.33 0.00 0.00 177.00 179.59 3m83 h LEU 40 N 3.48 1.09 -3.02 -5.54 5.85 -1.91 -3.42 115.31 111.85 3m83 h LEU 40 Ca -0.49 -0.03 -0.56 0.00 0.84 0.00 0.00 57.88 57.63 3m83 h LEU 40 Cb 1.23 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3m83 h LEU 40 CO 0.67 0.80 -0.97 -0.67 -0.34 0.00 0.00 178.44 177.93 3m83 n ASP 41 N -4.38 -2.47 -4.73 1.25 2.03 -1.26 -1.15 116.55 105.83 3m83 n ASP 41 Ca 0.11 -1.20 -0.41 0.00 0.52 0.00 0.00 54.79 53.81 3m83 n ASP 41 Cb 0.02 -2.19 -0.03 0.00 -0.72 0.00 0.00 41.12 38.20 3m83 n ASP 41 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3m83 s PRO 42 N -7.02 4.40 -0.11 -0.67 0.04 -1.26 -4.55 135.00 125.83 3m83 s PRO 42 Ca 0.29 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.37 3m83 s PRO 42 Cb -0.14 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.19 3m83 s PRO 42 CO 0.95 -0.26 -0.17 0.08 0.04 0.00 0.00 177.00 177.64 3m83 s VAL 43 N 0.29 1.63 -0.20 -0.36 1.01 0.30 -5.00 120.40 118.06 3m83 s VAL 43 Ca 0.57 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3m83 s VAL 43 Cb -0.36 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3m83 s VAL 43 CO 0.36 0.47 -0.16 -0.36 0.00 0.00 0.00 175.10 175.42 3m83 s PHE 44 N 0.87 2.90 -0.28 5.22 0.08 -1.26 -1.94 117.98 123.57 3m83 s PHE 44 Ca -0.08 -1.66 0.03 0.00 0.12 0.00 0.00 56.93 55.33 3m83 s PHE 44 Cb -0.15 -1.96 0.07 0.00 -0.57 0.00 0.00 43.02 40.41 3m83 s PHE 44 CO -0.00 -0.78 -0.04 -1.21 -0.10 0.00 0.00 175.22 173.09 3m83 s GLU 45 N 1.29 1.77 0.18 0.44 2.02 -0.03 -4.95 118.70 119.42 3m83 s GLU 45 Ca 0.03 -1.41 -0.33 0.00 0.02 0.00 0.00 54.97 53.27 3m83 s GLU 45 Cb -0.15 -2.86 -0.14 0.00 0.10 0.00 0.00 34.13 31.09 3m83 s GLU 45 CO -0.10 -0.71 1.52 -2.13 0.02 0.00 0.00 175.26 173.86 3m83 n ARG 46 N 4.46 2.06 -4.39 1.61 3.00 -1.26 -0.38 116.66 121.75 3m83 n ARG 46 Ca -0.07 0.74 -0.24 0.00 -0.00 0.00 0.00 57.85 58.28 3m83 n ARG 46 Cb 0.42 -2.47 -0.09 0.00 0.00 0.00 0.00 32.46 30.32 3m83 n ARG 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3m83 s MET 47 N 0.56 1.96 -0.03 -0.14 0.23 -0.50 -4.87 119.30 116.50 3m83 s MET 47 Ca 0.77 -1.63 -0.30 0.00 -1.03 0.00 0.00 55.69 53.50 3m83 s MET 47 Cb -0.69 -1.94 -0.04 0.00 -1.53 0.00 0.00 34.83 30.64 3m83 s MET 47 CO 0.41 0.33 1.19 -2.00 -2.03 0.00 0.00 175.02 172.92 3m83 s GLU 48 N -3.59 4.38 0.03 3.16 2.12 -1.26 -4.73 118.70 118.81 3m83 s GLU 48 Ca 0.31 1.68 -0.16 0.00 0.36 0.00 0.00 54.97 57.15 3m83 s GLU 48 Cb -0.05 -3.52 0.03 0.00 0.26 0.00 0.00 34.13 30.85 3m83 s GLU 48 CO 0.17 -0.39 0.36 0.45 -0.54 0.00 0.00 175.26 175.31 3m83 s SER 49 N 1.38 -0.21 0.00 -1.70 0.15 -1.26 -5.02 113.70 107.04 3m83 s SER 49 Ca 0.56 -0.06 0.29 0.00 0.70 0.00 0.00 55.95 57.44 3m83 s SER 49 Cb -0.25 0.38 1.22 0.00 -1.71 0.00 0.00 66.02 65.66 3m83 s SER 49 CO 0.23 -0.61 1.90 1.41 1.20 0.00 0.00 173.24 177.38 3m83 n HIS 50 N 0.65 0.00 -1.87 3.44 8.25 -1.26 -4.87 115.22 119.56 3m83 n HIS 50 Ca -0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.86 3m83 n HIS 50 Cb 0.59 -0.45 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 3m83 n HIS 50 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m83 s LEU 51 N -2.94 4.36 -0.07 2.41 1.43 -1.26 -4.94 118.68 117.67 3m83 s LEU 51 Ca 0.16 2.83 0.08 0.00 -1.03 0.00 0.00 54.13 56.17 3m83 s LEU 51 Cb 0.19 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.67 3m83 s LEU 51 CO 0.53 -0.83 0.08 0.29 0.23 0.00 0.00 176.35 176.65 3m83 n LYS 52 N 2.34 1.99 0.00 1.70 4.76 -1.26 -4.67 118.16 123.02 3m83 n LYS 52 Ca 0.08 -0.03 0.12 0.00 -2.87 0.00 0.00 58.31 55.61 3m83 n LYS 52 Cb 0.38 -1.22 0.10 0.00 -1.84 0.00 0.00 35.03 32.45 3m83 n LYS 52 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3m83 n THR 53 N -2.20 0.00 -3.87 -0.18 -2.24 -1.26 -4.93 114.28 99.60 3m83 n THR 53 Ca -0.11 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 3m83 n THR 53 Cb 0.65 1.33 -0.13 0.00 -2.10 0.00 0.00 70.33 70.07 3m83 n THR 53 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3m83 s VAL 54 N -2.16 0.01 -0.20 2.28 1.01 -1.26 -1.58 120.40 118.49 3m83 s VAL 54 Ca 0.26 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 3m83 s VAL 54 Cb 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.45 3m83 s VAL 54 CO 0.39 -0.06 0.33 -1.61 0.00 0.00 0.00 175.10 174.16 3m83 s GLU 55 N -0.16 4.18 -0.14 2.72 2.02 0.89 -4.83 118.70 123.38 3m83 s GLU 55 Ca -0.02 0.10 -0.04 0.00 0.02 0.00 0.00 54.97 55.03 3m83 s GLU 55 Cb -0.01 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 3m83 s GLU 55 CO -0.00 0.04 -0.01 0.00 0.02 0.00 0.00 175.26 175.31 3m83 s ALA 56 N 1.08 3.14 -0.07 5.21 0.00 -1.26 -0.86 121.76 128.99 3m83 s ALA 56 Ca 0.17 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.37 3m83 s ALA 56 Cb -0.14 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 3m83 s ALA 56 CO 0.06 0.31 -0.23 0.71 0.00 0.00 0.00 175.76 176.61 3m83 s TYR 57 N 0.03 2.34 0.02 0.00 1.51 0.29 -1.41 117.35 120.12 3m83 s TYR 57 Ca 0.02 -0.80 -0.30 0.00 -1.01 0.00 0.00 57.07 54.97 3m83 s TYR 57 Cb -0.13 -1.56 -0.06 0.00 -0.11 0.00 0.00 41.96 40.11 3m83 s TYR 57 CO 0.02 -0.29 1.39 0.34 -1.11 0.00 0.00 175.55 175.90 3m83 s ASP 58 N 0.09 6.86 -0.07 2.29 2.15 0.49 -1.31 116.67 127.18 3m83 s ASP 58 Ca -0.10 2.14 0.01 0.00 0.43 0.00 0.00 52.55 55.03 3m83 s ASP 58 Cb -0.15 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 3m83 s ASP 58 CO 0.05 -0.69 -0.06 -0.69 -0.17 0.00 0.00 175.17 173.61 3m83 s VAL 59 N 2.13 3.74 -0.02 1.11 1.01 -0.47 -0.85 120.40 127.05 3m83 s VAL 59 Ca 0.64 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3m83 s VAL 59 Cb -0.32 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3m83 s VAL 59 CO 0.27 0.59 -0.04 -0.89 0.00 0.00 0.00 175.10 175.03 3m83 s THR 60 N -0.82 0.40 0.15 3.92 2.01 -0.82 -1.60 115.64 118.88 3m83 s THR 60 Ca 0.13 -0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.88 3m83 s THR 60 Cb -0.11 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.01 3m83 s THR 60 CO 0.02 0.15 0.33 0.72 -0.69 0.00 0.00 174.62 175.15 3m83 s PHE 61 N 0.42 0.17 -0.25 4.92 -0.71 -0.74 -0.54 117.98 121.25 3m83 s PHE 61 Ca -0.05 -0.54 -0.20 0.00 -1.04 0.00 0.00 56.93 55.10 3m83 s PHE 61 Cb -0.08 0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.78 3m83 s PHE 61 CO -0.00 -0.72 0.62 -1.12 -1.34 0.00 0.00 175.22 172.65 3m83 s SER 62 N -2.91 6.57 0.00 1.98 0.01 -0.30 -0.51 113.70 118.54 3m83 s SER 62 Ca 0.11 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.07 3m83 s SER 62 Cb 0.03 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.92 3m83 s SER 62 CO -0.04 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.87 3m83 n GLY 63 N 4.14 0.61 3.68 3.44 0.00 0.25 -4.80 105.19 112.52 3m83 n GLY 63 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3m83 n GLY 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m83 s TYR 64 N 2.99 2.24 -1.59 1.61 5.04 -1.26 -3.40 117.35 122.98 3m83 s TYR 64 Ca 0.00 0.21 -0.10 0.00 -2.44 0.00 0.00 57.07 54.74 3m83 s TYR 64 Cb 0.00 -4.00 0.09 0.00 0.35 0.00 0.00 41.96 38.40 3m83 s TYR 64 CO 0.00 -4.08 0.55 0.54 -1.34 0.00 0.00 175.55 171.22 3m83 n ARG 65 N 6.00 -2.82 -0.92 4.97 1.74 -1.26 -1.31 116.66 123.05 3m83 n ARG 65 Ca 0.17 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3m83 n ARG 65 Cb 0.41 -4.69 0.00 0.00 -1.02 0.00 0.00 32.46 27.16 3m83 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m83 n GLY 66 N -1.74 0.63 3.76 -0.13 0.00 -1.22 -4.99 105.19 101.50 3m83 n GLY 66 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 3m83 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m83 s GLN 67 N -0.33 4.53 -0.35 1.61 -0.21 -0.43 -4.64 119.66 119.85 3m83 s GLN 67 Ca 0.00 1.92 -0.19 0.00 0.02 0.00 0.00 55.36 57.11 3m83 s GLN 67 Cb 0.00 -3.13 -0.00 0.00 1.00 0.00 0.00 33.01 30.88 3m83 s GLN 67 CO 0.00 0.08 0.57 1.03 -2.12 0.00 0.00 175.29 174.85 3m83 s ARG 68 N -1.59 3.67 -0.09 2.91 1.81 -1.26 -0.58 118.95 123.81 3m83 s ARG 68 Ca 0.46 -0.04 -0.03 0.00 -1.72 0.00 0.00 55.73 54.41 3m83 s ARG 68 Cb -0.34 -3.80 -0.04 0.00 -0.45 0.00 0.00 34.95 30.32 3m83 s ARG 68 CO 0.44 -0.68 0.04 0.42 -0.68 0.00 0.00 175.30 174.85 3m83 s ILE 69 N 2.54 4.65 0.49 1.52 -1.09 0.33 -4.87 121.20 124.78 3m83 s ILE 69 Ca 0.22 -0.13 -0.04 0.00 -2.23 0.00 0.00 60.65 58.47 3m83 s ILE 69 Cb -0.15 -2.98 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 3m83 s ILE 69 CO 0.14 0.60 0.77 -0.54 -1.23 0.00 0.00 174.94 174.68 3m83 s LYS 70 N -0.94 3.26 0.21 2.79 -0.14 -1.26 -1.80 119.74 121.86 3m83 s LYS 70 Ca 0.14 -0.05 -0.21 0.00 -1.36 0.00 0.00 55.97 54.49 3m83 s LYS 70 Cb -0.12 -2.41 0.07 0.00 -1.68 0.00 0.00 37.83 33.70 3m83 s LYS 70 CO 0.03 -0.33 1.01 0.41 -0.76 0.00 0.00 175.35 175.71 3m83 n GLY 71 N -2.27 0.64 3.35 -3.33 0.00 -0.63 -1.73 105.19 101.21 3m83 n GLY 71 Ca 0.01 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 3m83 n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m83 s TRP 72 N -2.09 2.22 -0.15 1.61 0.23 -0.65 -1.37 118.94 118.74 3m83 s TRP 72 Ca 0.22 -0.40 0.02 0.00 -2.03 0.00 0.00 56.10 53.91 3m83 s TRP 72 Cb -0.03 -1.28 0.01 0.00 0.03 0.00 0.00 33.47 32.21 3m83 s TRP 72 CO 0.06 0.21 -0.21 -1.17 0.96 0.00 0.00 176.95 176.80 3m83 s LEU 73 N -1.58 2.09 -0.20 2.99 2.96 -0.42 -0.85 118.68 123.67 3m83 s LEU 73 Ca 0.12 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3m83 s LEU 73 Cb -0.10 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.16 3m83 s LEU 73 CO 0.04 0.04 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.24 3m83 s LEU 74 N 1.03 2.59 -0.22 -0.68 1.43 -0.13 -0.55 118.68 122.14 3m83 s LEU 74 Ca -0.02 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3m83 s LEU 74 Cb -0.14 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.46 3m83 s LEU 74 CO -0.07 -0.01 -0.10 -0.69 0.23 0.00 0.00 176.35 175.72 3m83 s VAL 75 N 1.37 2.79 0.39 -1.59 1.01 -0.04 -0.98 120.40 123.35 3m83 s VAL 75 Ca 0.05 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 3m83 s VAL 75 Cb -0.14 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 3m83 s VAL 75 CO -0.07 0.37 1.19 -2.16 0.00 0.00 0.00 175.10 174.43 3m83 s PRO 76 N 1.36 4.12 -1.08 2.72 0.04 -1.26 -0.07 135.00 140.83 3m83 s PRO 76 Ca 0.03 1.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 3m83 s PRO 76 Cb -0.15 -2.76 0.06 0.00 0.04 0.00 0.00 34.50 31.69 3m83 s PRO 76 CO -0.07 -0.29 1.50 0.15 0.04 0.00 0.00 177.00 178.34 3m83 s LYS 77 N -2.18 3.68 0.13 4.56 1.02 -0.62 -4.86 119.74 121.47 3m83 s LYS 77 Ca 0.55 -1.33 0.06 0.00 0.02 0.00 0.00 55.97 55.27 3m83 s LYS 77 Cb -0.32 -5.38 -0.04 0.00 -0.52 0.00 0.00 37.83 31.56 3m83 s LYS 77 CO 0.41 -2.20 -0.13 -0.51 -0.92 0.00 0.00 175.35 172.00 3m83 s LEU 78 N 4.73 2.43 0.28 3.17 1.43 -1.26 -5.01 118.68 124.46 3m83 s LEU 78 Ca 0.47 -0.85 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3m83 s LEU 78 Cb 0.01 -0.52 0.41 0.00 0.03 0.00 0.00 46.19 46.13 3m83 s LEU 78 CO -0.06 -0.18 1.68 -0.33 0.23 0.00 0.00 176.35 177.69 3m83 h GLU 79 N 3.36 0.29 -6.43 1.70 3.07 -2.03 -3.45 114.58 111.09 3m83 h GLU 79 Ca -0.39 -0.14 -0.62 0.00 -0.50 0.00 0.00 59.36 57.71 3m83 h GLU 79 Cb 1.20 -0.00 0.08 0.00 -0.84 0.00 0.00 28.75 29.19 3m83 h GLU 79 CO 0.53 0.66 0.36 -1.91 -1.40 0.00 0.00 179.01 177.25 3m83 n GLU 80 N -4.02 1.45 0.05 2.33 2.13 -1.26 -4.91 120.64 116.41 3m83 n GLU 80 Ca -0.01 0.52 -0.04 0.00 0.66 0.00 0.00 57.16 58.29 3m83 n GLU 80 Cb 0.48 -2.05 -0.08 0.00 0.27 0.00 0.00 31.44 30.07 3m83 n GLU 80 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3m83 h GLU 81 N 3.45 0.00 -5.18 5.31 3.07 -1.94 -3.43 114.58 115.86 3m83 h GLU 81 Ca -0.43 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.78 3m83 h GLU 81 Cb 1.32 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.90 3m83 h GLU 81 CO 0.71 0.60 -0.87 0.15 -1.40 0.00 0.00 179.01 178.20 3m83 s LYS 82 N -2.79 2.79 0.20 2.33 -0.14 -1.26 -4.59 119.74 116.28 3m83 s LYS 82 Ca -0.01 -0.79 0.11 0.00 -1.36 0.00 0.00 55.97 53.93 3m83 s LYS 82 Cb 0.09 -2.14 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 3m83 s LYS 82 CO 0.80 0.13 -0.23 -0.51 -0.76 0.00 0.00 175.35 174.79 3m83 s LEU 83 N 0.45 2.49 0.78 3.17 1.43 0.65 -4.77 118.68 122.87 3m83 s LEU 83 Ca -0.17 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 51.95 3m83 s LEU 83 Cb -0.17 -1.19 0.06 0.00 0.03 0.00 0.00 46.19 44.91 3m83 s LEU 83 CO 0.07 0.11 1.08 -2.16 0.23 0.00 0.00 176.35 175.69 3m83 s PRO 84 N -2.77 2.21 -0.02 1.29 0.04 -1.26 -0.11 135.00 134.38 3m83 s PRO 84 Ca 0.22 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.13 3m83 s PRO 84 Cb -0.08 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.57 3m83 s PRO 84 CO 0.11 -1.59 0.01 0.00 0.04 0.00 0.00 177.00 175.56 3m83 s VAL 86 N 0.68 4.15 -0.38 0.00 1.01 0.47 -0.16 120.40 126.17 3m83 s VAL 86 Ca -0.06 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 3m83 s VAL 86 Cb -0.09 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.38 3m83 s VAL 86 CO -0.02 0.37 0.71 -0.69 0.00 0.00 0.00 175.10 175.47 3m83 s VAL 87 N 1.47 4.79 -0.24 2.92 1.01 0.13 -1.01 120.40 129.46 3m83 s VAL 87 Ca 0.06 0.61 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 3m83 s VAL 87 Cb -0.15 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3m83 s VAL 87 CO 0.02 -0.45 0.09 -1.58 0.00 0.00 0.00 175.10 173.18 3m83 s GLN 88 N 2.95 3.76 0.19 2.72 2.00 0.13 -0.72 119.66 130.70 3m83 s GLN 88 Ca 0.27 -0.43 0.04 0.00 -2.00 0.00 0.00 55.36 53.25 3m83 s GLN 88 Cb -0.14 -3.37 -0.03 0.00 0.80 0.00 0.00 33.01 30.27 3m83 s GLN 88 CO 0.17 -0.11 0.28 0.71 -0.50 0.00 0.00 175.29 175.84 3m83 s TYR 89 N 1.45 3.39 0.07 1.67 2.02 -0.48 -1.72 117.35 123.75 3m83 s TYR 89 Ca 0.06 0.03 0.07 0.00 -0.37 0.00 0.00 57.07 56.86 3m83 s TYR 89 Cb -0.15 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3m83 s TYR 89 CO 0.05 0.49 -0.15 0.42 -1.57 0.00 0.00 175.55 174.79 3m83 s ILE 90 N -1.86 3.06 0.87 2.71 1.01 -1.26 -4.51 121.20 121.22 3m83 s ILE 90 Ca 0.34 -1.25 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 3m83 s ILE 90 Cb -0.10 -2.36 0.11 0.00 0.01 0.00 0.00 42.46 40.12 3m83 s ILE 90 CO 0.28 0.22 1.10 -0.83 0.00 0.00 0.00 174.94 175.70 3m83 s GLY 91 N -1.84 1.64 0.24 6.18 0.00 -1.26 -3.14 107.32 109.14 3m83 s GLY 91 Ca 0.18 0.14 -0.31 0.00 0.00 0.00 0.00 44.72 44.73 3m83 s GLY 91 CO 0.09 0.58 1.26 2.98 0.00 0.00 0.00 173.10 178.02 3m83 n TYR 92 N -3.87 1.78 -1.25 1.90 9.36 -1.26 -2.03 117.16 121.79 3m83 n TYR 92 Ca 0.08 0.56 -0.09 0.00 3.32 0.00 0.00 57.90 61.77 3m83 n TYR 92 Cb 0.54 -2.37 -0.04 0.00 -0.63 0.00 0.00 39.34 36.84 3m83 n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3m83 n ASN 93 N 1.83 -4.88 -4.83 2.98 3.02 -1.26 -4.85 115.26 107.27 3m83 n ASN 93 Ca 0.12 0.21 -0.24 0.00 -0.03 0.00 0.00 54.58 54.64 3m83 n ASN 93 Cb 0.30 -3.15 -0.04 0.00 -0.61 0.00 0.00 39.78 36.28 3m83 n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3m83 s GLY 94 N -2.51 2.30 0.18 7.41 0.00 -0.86 -0.44 107.32 113.39 3m83 s GLY 94 Ca 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 44.72 42.92 3m83 s GLY 94 CO 0.00 -1.85 0.28 0.61 0.00 0.00 0.00 173.10 172.13 3m83 n GLY 95 N -1.48 2.35 0.21 0.20 0.00 -0.86 -1.93 105.19 103.67 3m83 n GLY 95 Ca -0.00 -1.40 0.15 0.00 0.00 0.00 0.00 46.02 44.76 3m83 n GLY 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m83 h ARG 96 N 0.00 0.00 0.00 1.61 0.11 -1.83 -3.42 114.38 110.85 3m83 h ARG 96 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 3m83 h ARG 96 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 3m83 h ARG 96 CO 0.19 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.67 3m83 n GLY 97 N -0.43 3.06 3.81 0.08 0.00 0.34 -4.66 105.19 107.39 3m83 n GLY 97 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 3m83 n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m83 s PHE 98 N 0.00 3.14 0.37 1.61 0.40 -1.26 -4.94 117.98 117.31 3m83 s PHE 98 Ca 0.00 -0.05 0.10 0.00 -0.60 0.00 0.00 56.93 56.38 3m83 s PHE 98 Cb 0.00 -1.47 0.87 0.00 0.51 0.00 0.00 43.02 42.93 3m83 s PHE 98 CO 0.00 0.52 1.88 -1.35 0.70 0.00 0.00 175.22 176.97 3m83 h PRO 99 N 2.04 0.61 0.00 0.24 0.11 -2.00 -1.86 132.00 131.14 3m83 h PRO 99 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m83 h PRO 99 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3m83 h PRO 99 CO 0.62 0.41 0.00 -2.39 -0.21 0.00 0.00 178.00 176.43 3m83 n HIS 100 N -4.54 0.00 1.20 0.65 1.44 -1.26 -2.37 115.22 110.34 3m83 n HIS 100 Ca 0.16 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.01 3m83 n HIS 100 Cb 0.48 -0.18 0.67 0.00 0.12 0.00 0.00 29.99 31.08 3m83 n HIS 100 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3m83 n ASP 101 N -1.18 0.00 -2.48 4.39 8.00 -0.70 -4.28 116.55 120.31 3m83 n ASP 101 Ca 0.10 0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.58 3m83 n ASP 101 Cb 0.10 -0.36 0.03 0.00 -0.02 0.00 0.00 41.12 40.87 3m83 n ASP 101 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3m83 n TRP 102 N -1.36 2.02 0.81 1.24 7.02 -1.00 -4.88 117.44 121.28 3m83 n TRP 102 Ca 0.11 -2.35 0.13 0.00 -1.02 0.00 0.00 57.50 54.37 3m83 n TRP 102 Cb 0.26 -0.27 0.48 0.00 -2.42 0.00 0.00 31.31 29.36 3m83 n TRP 102 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3m83 n LEU 103 N -0.56 0.43 0.48 -0.99 4.77 -1.26 -4.33 117.00 115.53 3m83 n LEU 103 Ca 0.24 0.49 -0.19 0.00 -0.03 0.00 0.00 56.01 56.53 3m83 n LEU 103 Cb 0.85 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 3m83 n LEU 103 CO 0.24 -0.08 0.54 0.15 -1.33 0.00 0.00 177.39 176.91 3m83 h PHE 104 N 0.00 -1.14 -0.40 -1.77 3.57 -1.95 -1.87 116.94 113.38 3m83 h PHE 104 Ca 0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3m83 h PHE 104 Cb 0.62 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3m83 h PHE 104 CO 0.00 -0.71 0.21 -1.49 -2.23 0.00 0.00 178.31 174.09 3m83 h TRP 105 N -1.22 0.55 -0.74 0.41 4.06 -1.89 -2.38 115.95 114.74 3m83 h TRP 105 Ca -0.12 -0.02 0.06 0.00 2.06 0.00 0.00 58.89 60.87 3m83 h TRP 105 Cb 0.94 -0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 28.88 3m83 h TRP 105 CO 0.02 0.44 0.49 -1.35 -3.56 0.00 0.00 178.44 174.47 3m83 h PRO 106 N 0.51 0.79 0.00 0.49 0.11 -1.54 -1.04 132.00 131.31 3m83 h PRO 106 Ca 0.14 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 3m83 h PRO 106 Cb 0.07 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 3m83 h PRO 106 CO -0.02 0.52 -0.22 0.77 -0.21 0.00 0.00 178.00 178.83 3m83 h SER 107 N 0.81 0.00 -0.19 -2.05 0.02 -0.85 -1.26 113.55 110.03 3m83 h SER 107 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3m83 h SER 107 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3m83 h SER 107 CO -0.10 0.22 0.00 0.23 -1.14 0.00 0.00 176.83 176.04 3m83 n MET 108 N -3.89 1.53 -0.74 3.45 2.81 -0.64 -4.93 117.12 114.72 3m83 n MET 108 Ca -0.02 -0.82 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 3m83 n MET 108 Cb 0.31 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 3m83 n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m83 n GLY 109 N 0.94 0.55 3.61 3.03 0.00 -0.47 -5.06 105.19 107.79 3m83 n GLY 109 Ca 0.11 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 3m83 n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m83 s TYR 110 N -2.00 3.06 0.29 1.61 1.51 -0.49 -4.45 117.35 116.88 3m83 s TYR 110 Ca 0.00 0.04 -0.29 0.00 -1.01 0.00 0.00 57.07 55.81 3m83 s TYR 110 Cb 0.00 -1.80 -0.10 0.00 -0.11 0.00 0.00 41.96 39.95 3m83 s TYR 110 CO 0.00 0.32 1.43 0.42 -1.11 0.00 0.00 175.55 176.61 3m83 s ILE 111 N -0.61 2.52 -0.17 2.71 1.01 0.49 -2.48 121.20 124.67 3m83 s ILE 111 Ca 0.10 0.47 0.01 0.00 0.00 0.00 0.00 60.65 61.22 3m83 s ILE 111 Cb -0.12 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.07 3m83 s ILE 111 CO 0.02 0.09 -0.18 0.00 0.00 0.00 0.00 174.94 174.87 3m83 s PHE 113 N 1.35 3.25 -0.36 0.00 2.19 -0.18 -0.96 117.98 123.26 3m83 s PHE 113 Ca 0.04 -0.99 -0.14 0.00 0.33 0.00 0.00 56.93 56.17 3m83 s PHE 113 Cb -0.13 -2.44 -0.01 0.00 -1.31 0.00 0.00 43.02 39.13 3m83 s PHE 113 CO -0.12 -0.66 0.31 0.08 1.83 0.00 0.00 175.22 176.66 3m83 s VAL 114 N 1.55 5.23 -0.28 3.12 1.01 -0.03 0.22 120.40 131.22 3m83 s VAL 114 Ca 0.02 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 3m83 s VAL 114 Cb -0.19 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 3m83 s VAL 114 CO 0.07 -0.13 0.71 -0.32 0.00 0.00 0.00 175.10 175.43 3m83 s MET 115 N 1.85 4.03 0.47 2.72 1.75 -0.70 -1.64 119.30 127.78 3m83 s MET 115 Ca 0.08 0.56 -0.24 0.00 -1.25 0.00 0.00 55.69 54.84 3m83 s MET 115 Cb -0.17 -3.69 -0.07 0.00 2.84 0.00 0.00 34.83 33.73 3m83 s MET 115 CO 0.11 -0.55 1.36 0.34 -0.65 0.00 0.00 175.02 175.63 3m83 s ASP 116 N 1.54 5.79 -0.32 1.11 2.15 -0.71 -4.47 116.67 121.75 3m83 s ASP 116 Ca 0.29 2.76 -0.11 0.00 0.43 0.00 0.00 52.55 55.92 3m83 s ASP 116 Cb -0.15 -2.64 -0.01 0.00 -0.30 0.00 0.00 42.92 39.82 3m83 s ASP 116 CO 0.10 -1.21 0.20 -0.89 -0.17 0.00 0.00 175.17 173.20 3m83 s THR 117 N -1.28 4.97 -0.26 1.71 2.01 -1.26 -4.79 115.64 116.73 3m83 s THR 117 Ca 0.64 -0.30 -0.40 0.00 0.31 0.00 0.00 61.69 61.93 3m83 s THR 117 Cb -0.40 -3.54 -0.16 0.00 0.01 0.00 0.00 72.50 68.41 3m83 s THR 117 CO 0.50 0.03 1.70 -2.11 -0.69 0.00 0.00 174.62 174.05 3m83 n ARG 118 N 5.05 1.07 -0.45 4.92 1.85 -1.26 -2.46 116.66 125.38 3m83 n ARG 118 Ca -0.13 0.39 0.00 0.00 -1.00 0.00 0.00 57.85 57.11 3m83 n ARG 118 Cb 0.49 -2.06 0.00 0.00 -1.05 0.00 0.00 32.46 29.85 3m83 n ARG 118 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m83 n GLY 119 N 4.04 1.70 0.00 2.89 0.00 0.11 -4.57 105.19 109.37 3m83 n GLY 119 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3m83 n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m83 n GLN 120 N -2.00 0.00 -3.28 1.61 6.02 -1.03 -4.87 117.38 113.83 3m83 n GLN 120 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 3m83 n GLN 120 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 3m83 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m83 n GLY 121 N 5.00 -0.50 0.00 1.08 0.00 -0.82 -4.71 105.19 105.24 3m83 n GLY 121 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3m83 n GLY 121 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m83 n SER 122 N -2.43 0.24 -0.08 1.61 7.64 -1.17 -1.41 113.62 118.02 3m83 n SER 122 Ca -0.05 -1.10 -0.13 0.00 1.01 0.00 0.00 58.87 58.60 3m83 n SER 122 Cb 0.57 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.72 3m83 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m83 n GLY 123 N -0.05 -0.43 0.00 0.23 0.00 0.41 -4.92 105.19 100.43 3m83 n GLY 123 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3m83 n GLY 123 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3m83 n TRP 124 N -4.23 0.00 -3.74 1.61 4.27 -1.07 -5.04 117.44 109.25 3m83 n TRP 124 Ca -0.23 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.26 3m83 n TRP 124 Cb 0.56 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.41 3m83 n TRP 124 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3m83 s LEU 125 N -1.21 0.48 0.54 5.67 2.96 -1.26 -5.03 118.68 120.82 3m83 s LEU 125 Ca 0.00 0.74 -0.19 0.00 -0.22 0.00 0.00 54.13 54.46 3m83 s LEU 125 Cb 0.00 1.22 -0.06 0.00 0.50 0.00 0.00 46.19 47.85 3m83 s LEU 125 CO 0.00 -0.14 1.09 -1.59 -1.32 0.00 0.00 176.35 174.39 3m83 s LYS 126 N 0.49 3.44 0.25 1.98 -2.85 -1.26 -2.02 119.74 119.77 3m83 s LYS 126 Ca -0.02 1.47 0.03 0.00 -1.00 0.00 0.00 55.97 56.44 3m83 s LYS 126 Cb -0.04 -2.03 -0.05 0.00 -2.06 0.00 0.00 37.83 33.64 3m83 s LYS 126 CO -0.03 -0.75 0.01 0.20 0.10 0.00 0.00 175.35 174.89 3m83 s GLY 127 N -2.03 1.65 0.00 0.59 0.00 -0.50 -0.50 107.32 106.53 3m83 s GLY 127 Ca 0.69 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.59 3m83 s GLY 127 CO 0.27 -1.68 0.46 1.22 0.00 0.00 0.00 173.10 173.37 3m83 n ASP 128 N -0.46 0.70 -4.34 1.64 8.00 -1.26 -4.88 116.55 115.94 3m83 n ASP 128 Ca -0.04 -1.21 -0.34 0.00 0.71 0.00 0.00 54.79 53.90 3m83 n ASP 128 Cb 0.64 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.61 3m83 n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3m83 s THR 129 N -0.21 3.31 0.74 -3.53 2.01 -1.26 -4.90 115.64 111.80 3m83 s THR 129 Ca 0.00 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 3m83 s THR 129 Cb 0.00 -2.47 0.04 0.00 0.01 0.00 0.00 72.50 70.07 3m83 s THR 129 CO 0.00 0.46 1.10 -2.16 -0.69 0.00 0.00 174.62 173.32 3m83 s PRO 130 N 1.09 2.57 0.39 4.92 0.04 -1.26 0.08 135.00 142.83 3m83 s PRO 130 Ca 0.01 0.54 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 3m83 s PRO 130 Cb -0.15 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3m83 s PRO 130 CO -0.01 -1.26 0.63 0.34 0.04 0.00 0.00 177.00 176.74 3m83 s ASP 131 N -4.17 6.25 -0.22 6.66 2.15 -1.26 -3.94 116.67 122.14 3m83 s ASP 131 Ca 0.59 0.58 -0.03 0.00 0.43 0.00 0.00 52.55 54.12 3m83 s ASP 131 Cb -0.12 -2.06 0.07 0.00 -0.30 0.00 0.00 42.92 40.50 3m83 s ASP 131 CO 0.53 -0.41 0.05 -0.31 -0.17 0.00 0.00 175.17 174.86 3m83 s TYR 132 N -2.46 1.10 0.64 -5.34 1.51 -1.26 -4.94 117.35 106.60 3m83 s TYR 132 Ca 0.43 -0.99 -0.13 0.00 -1.01 0.00 0.00 57.07 55.36 3m83 s TYR 132 Cb -0.10 -1.12 -0.01 0.00 -0.11 0.00 0.00 41.96 40.62 3m83 s TYR 132 CO 0.39 -0.66 1.06 -1.25 -1.11 0.00 0.00 175.55 173.97 3m83 s PRO 133 N 1.83 3.12 -1.15 -1.71 0.04 -1.26 -4.94 135.00 130.93 3m83 s PRO 133 Ca 0.01 1.08 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 3m83 s PRO 133 Cb -0.17 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 3m83 s PRO 133 CO -0.12 -0.96 1.91 0.39 0.04 0.00 0.00 177.00 178.26 3m83 n GLU 134 N -2.58 1.91 0.00 4.56 -0.58 -1.26 -4.91 120.64 117.79 3m83 n GLU 134 Ca 0.08 -2.52 0.00 0.00 -0.42 0.00 0.00 57.16 54.30 3m83 n GLU 134 Cb 0.53 -3.55 0.00 0.00 -0.57 0.00 0.00 31.44 27.85 3m83 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m83 n GLY 135 N 5.46 3.53 3.77 0.62 0.00 -1.26 -4.82 105.19 112.49 3m83 n GLY 135 Ca 0.47 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 46.10 3m83 n GLY 135 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m83 s PRO 136 N 0.00 4.38 -0.68 1.61 0.02 -1.26 -4.98 135.00 134.09 3m83 s PRO 136 Ca 0.00 2.08 -0.16 0.00 0.02 0.00 0.00 61.00 62.94 3m83 s PRO 136 Cb 0.00 -3.05 0.16 0.00 0.02 0.00 0.00 34.50 31.63 3m83 s PRO 136 CO 0.00 -0.11 0.68 0.08 -0.33 0.00 0.00 177.00 177.32 3m83 s VAL 137 N -1.17 5.26 0.89 3.83 1.01 -1.26 -5.01 120.40 123.94 3m83 s VAL 137 Ca 0.49 -1.78 -0.13 0.00 0.00 0.00 0.00 61.98 60.56 3m83 s VAL 137 Cb -0.37 -4.45 0.05 0.00 0.00 0.00 0.00 36.38 31.61 3m83 s VAL 137 CO 0.49 -1.02 0.66 0.47 0.00 0.00 0.00 175.10 175.70 3m83 n ASP 138 N 5.05 -1.09 -4.54 3.32 8.00 -1.26 -4.88 116.55 121.14 3m83 n ASP 138 Ca -0.00 0.42 -0.54 0.00 0.71 0.00 0.00 54.79 55.38 3m83 n ASP 138 Cb 0.44 -1.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.18 3m83 n ASP 138 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3m83 n PRO 139 N -2.20 0.66 -3.88 -0.24 -0.02 -1.26 -4.80 135.00 123.26 3m83 n PRO 139 Ca 0.09 0.24 -0.09 0.00 -2.02 0.00 0.00 63.50 61.71 3m83 n PRO 139 Cb 0.52 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 3m83 n PRO 139 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3m83 s GLN 140 N 0.10 1.01 0.31 -0.52 -2.07 -1.26 -4.87 119.66 112.35 3m83 s GLN 140 Ca 0.84 -1.03 -0.23 0.00 -1.82 0.00 0.00 55.36 53.13 3m83 s GLN 140 Cb -1.06 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 31.14 3m83 s GLN 140 CO 0.52 -0.35 0.86 -0.47 -1.32 0.00 0.00 175.29 174.53 3m83 s TYR 141 N -3.90 3.61 -0.22 9.60 5.04 -1.26 -5.00 117.35 125.22 3m83 s TYR 141 Ca 0.10 1.60 -0.42 0.00 -2.44 0.00 0.00 57.07 55.92 3m83 s TYR 141 Cb 0.04 -2.80 -0.18 0.00 0.35 0.00 0.00 41.96 39.37 3m83 s TYR 141 CO -0.06 0.20 1.48 -2.30 -1.34 0.00 0.00 175.55 173.52 3m83 n PRO 142 N 0.40 0.54 0.00 4.97 -0.02 -1.26 -4.71 135.00 134.92 3m83 n PRO 142 Ca 0.01 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3m83 n PRO 142 Cb 0.51 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3m83 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m83 n GLY 143 N 3.23 0.57 0.01 -1.23 0.00 -1.26 -4.88 105.19 101.61 3m83 n GLY 143 Ca 0.25 -2.21 0.07 0.00 0.00 0.00 0.00 46.02 44.13 3m83 n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m83 n PHE 144 N 1.95 0.00 0.08 1.61 3.72 -1.26 -4.49 117.46 119.07 3m83 n PHE 144 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 3m83 n PHE 144 Cb 0.00 -0.29 0.33 0.00 -0.94 0.00 0.00 39.48 38.58 3m83 n PHE 144 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3m83 h MET 145 N 0.00 0.32 -0.31 -1.08 2.86 -1.90 -2.97 114.93 111.86 3m83 h MET 145 Ca 0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3m83 h MET 145 Cb 0.60 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3m83 h MET 145 CO 0.00 0.48 0.00 0.25 1.06 0.00 0.00 176.91 178.70 3m83 n THR 146 N -4.23 0.99 -2.08 2.22 -2.24 -1.26 -4.85 114.28 102.83 3m83 n THR 146 Ca -0.00 -1.00 -0.41 0.00 -2.27 0.00 0.00 64.05 60.37 3m83 n THR 146 Cb 0.31 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 3m83 n THR 146 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3m83 s ARG 147 N -1.00 3.09 -0.37 -0.78 3.52 -1.12 -2.96 118.95 119.33 3m83 s ARG 147 Ca 0.20 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.80 3m83 s ARG 147 Cb 0.11 -4.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.25 3m83 s ARG 147 CO 0.14 -2.16 0.00 0.41 -0.81 0.00 0.00 175.30 172.88 3m83 n GLY 148 N 5.47 0.56 0.08 8.12 0.00 -1.26 -1.32 105.19 116.85 3m83 n GLY 148 Ca 0.21 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.45 3m83 n GLY 148 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3m83 n ILE 149 N -3.14 0.93 1.93 -0.61 3.06 -1.15 -2.66 119.36 117.71 3m83 n ILE 149 Ca -0.04 0.27 0.16 0.00 -2.50 0.00 0.00 62.75 60.64 3m83 n ILE 149 Cb 0.21 -1.14 0.89 0.00 0.54 0.00 0.00 39.64 40.15 3m83 n ILE 149 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3m83 n LEU 150 N -1.96 0.20 -3.65 9.51 4.77 -1.26 -4.62 117.00 119.98 3m83 n LEU 150 Ca 0.02 -0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 55.87 3m83 n LEU 150 Cb 0.19 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3m83 n LEU 150 CO 0.17 0.03 0.25 -0.62 -1.33 0.00 0.00 177.39 175.89 3m83 s ASP 151 N -2.00 -0.86 0.57 -1.43 -1.08 -1.17 -4.97 116.67 105.73 3m83 s ASP 151 Ca 0.47 1.38 0.25 0.00 -0.52 0.00 0.00 52.55 54.13 3m83 s ASP 151 Cb 0.22 1.46 1.63 0.00 -1.46 0.00 0.00 42.92 44.78 3m83 s ASP 151 CO 0.37 -0.23 2.21 1.55 0.52 0.00 0.00 175.17 179.58 3m83 h PRO 152 N 7.32 0.00 0.00 4.34 0.13 -1.84 -1.37 132.00 140.58 3m83 h PRO 152 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3m83 h PRO 152 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3m83 h PRO 152 CO 0.17 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 177.78 3m83 h ARG 153 N 0.00 0.00 -0.01 0.86 3.08 -1.96 -3.03 114.38 113.32 3m83 h ARG 153 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3m83 h ARG 153 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3m83 h ARG 153 CO -0.00 0.16 -0.48 0.25 -1.07 0.00 0.00 179.97 178.83 3m83 n THR 154 N -3.36 0.00 -2.19 2.04 -2.24 -0.59 -4.95 114.28 102.99 3m83 n THR 154 Ca -0.00 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 3m83 n THR 154 Cb 0.37 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 3m83 n THR 154 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3m83 s TYR 155 N -2.34 3.20 0.26 4.78 5.04 -0.73 -4.30 117.35 123.26 3m83 s TYR 155 Ca 0.16 1.26 -0.02 0.00 -2.44 0.00 0.00 57.07 56.03 3m83 s TYR 155 Cb 0.16 -3.63 0.56 0.00 0.35 0.00 0.00 41.96 39.40 3m83 s TYR 155 CO 0.54 -1.90 1.69 -0.92 -1.34 0.00 0.00 175.55 173.62 3m83 h TYR 156 N 4.85 0.40 0.00 4.97 3.20 -1.47 -1.16 116.97 127.76 3m83 h TYR 156 Ca -0.46 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3m83 h TYR 156 Cb 1.22 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.43 3m83 h TYR 156 CO 0.60 -0.07 0.00 0.66 -1.64 0.00 0.00 178.16 177.71 3m83 n TYR 157 N -5.12 0.85 -0.26 -3.82 4.01 -1.26 -1.99 117.16 109.57 3m83 n TYR 157 Ca 0.17 0.28 -0.00 0.00 -0.16 0.00 0.00 57.90 58.19 3m83 n TYR 157 Cb 0.53 -0.96 0.12 0.00 -0.31 0.00 0.00 39.34 38.72 3m83 n TYR 157 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3m83 h ARG 158 N 0.00 0.73 -0.02 -0.72 2.43 -1.50 -0.74 114.38 114.56 3m83 h ARG 158 Ca 0.00 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 3m83 h ARG 158 Cb 0.56 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3m83 h ARG 158 CO 0.00 0.48 -0.79 0.00 -1.51 0.00 0.00 179.97 178.16 3m83 h ARG 159 N 0.75 0.57 -0.19 0.20 3.08 -1.50 -2.74 114.38 114.55 3m83 h ARG 159 Ca 0.33 -0.59 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 3m83 h ARG 159 Cb 0.22 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3m83 h ARG 159 CO -0.19 1.20 0.11 0.28 -1.07 0.00 0.00 179.97 180.30 3m83 h VAL 160 N 0.17 1.09 -0.54 2.04 2.07 -1.45 -0.96 116.25 118.67 3m83 h VAL 160 Ca -0.09 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3m83 h VAL 160 Cb 1.46 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3m83 h VAL 160 CO 0.16 0.08 0.14 -0.26 0.02 0.00 0.00 177.57 177.71 3m83 h PHE 161 N 0.21 0.85 -0.31 1.57 0.04 -1.22 -0.98 116.94 117.11 3m83 h PHE 161 Ca 0.07 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 3m83 h PHE 161 Cb 0.04 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 3m83 h PHE 161 CO -0.05 0.71 -0.08 1.15 -0.60 0.00 0.00 178.31 179.44 3m83 h THR 162 N 0.80 1.28 -0.63 -1.55 2.02 -1.34 -1.97 112.91 111.51 3m83 h THR 162 Ca 0.18 -1.12 0.12 0.00 0.77 0.00 0.00 66.41 66.35 3m83 h THR 162 Cb 0.28 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.99 3m83 h THR 162 CO -0.00 0.36 0.16 0.44 0.37 0.00 0.00 175.52 176.85 3m83 h ASP 163 N 0.36 0.06 -0.47 4.18 3.32 -0.98 -2.01 116.42 120.88 3m83 h ASP 163 Ca 0.08 0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3m83 h ASP 163 Cb 0.57 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3m83 h ASP 163 CO 0.03 0.03 -0.05 0.00 -1.72 0.00 0.00 179.24 177.53 3m83 h ALA 164 N 1.49 0.92 -0.60 3.45 0.00 -0.98 0.57 119.26 124.12 3m83 h ALA 164 Ca 0.34 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3m83 h ALA 164 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3m83 h ALA 164 CO -0.40 0.63 -0.02 0.28 0.00 0.00 0.00 179.25 179.74 3m83 h VAL 165 N 0.84 1.27 0.00 0.00 2.07 -1.17 -2.92 116.25 116.33 3m83 h VAL 165 Ca 0.15 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 3m83 h VAL 165 Cb 0.57 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3m83 h VAL 165 CO 0.03 0.43 -0.44 0.03 0.02 0.00 0.00 177.57 177.64 3m83 h ARG 166 N 0.97 0.00 -0.48 1.57 2.47 -0.98 -2.98 114.38 114.95 3m83 h ARG 166 Ca 0.17 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.87 3m83 h ARG 166 Cb 0.58 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 3m83 h ARG 166 CO 0.03 0.44 0.22 0.00 0.56 0.00 0.00 179.97 181.23 3m83 h ALA 167 N 1.56 1.49 -0.51 0.04 0.00 -0.70 -0.57 119.26 120.58 3m83 h ALA 167 Ca -0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3m83 h ALA 167 Cb 0.87 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3m83 h ALA 167 CO 0.06 0.40 -0.16 0.28 0.00 0.00 0.00 179.25 179.83 3m83 h VAL 168 N 0.67 1.27 -0.78 0.00 2.07 -1.50 -0.60 116.25 117.39 3m83 h VAL 168 Ca 0.17 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 3m83 h VAL 168 Cb 0.09 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3m83 h VAL 168 CO -0.02 0.46 0.30 -0.33 0.02 0.00 0.00 177.57 178.00 3m83 h GLU 169 N 0.88 1.17 -0.25 1.57 4.39 -1.46 -0.96 114.58 119.91 3m83 h GLU 169 Ca 0.12 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 3m83 h GLU 169 Cb 0.73 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3m83 h GLU 169 CO 0.06 0.96 0.09 0.00 -1.16 0.00 0.00 179.01 178.96 3m83 h ALA 170 N 1.16 0.33 -0.27 3.43 0.00 -0.86 -2.63 119.26 120.43 3m83 h ALA 170 Ca 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3m83 h ALA 170 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3m83 h ALA 170 CO -0.02 -0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.27 3m83 h ALA 171 N 0.93 0.30 -0.07 0.00 0.00 -0.99 -2.55 119.26 116.88 3m83 h ALA 171 Ca 0.08 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3m83 h ALA 171 Cb 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3m83 h ALA 171 CO -0.01 -0.30 0.09 0.00 0.00 0.00 0.00 179.25 179.03 3m83 h ALA 172 N 1.16 1.61 0.00 0.00 0.00 -1.11 -1.66 119.26 119.26 3m83 h ALA 172 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3m83 h ALA 172 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3m83 h ALA 172 CO -0.11 -0.12 0.00 -1.13 0.00 0.00 0.00 179.25 177.89 3m83 n SER 173 N -3.78 0.65 -4.70 0.00 3.41 -0.96 -4.79 113.62 103.44 3m83 n SER 173 Ca -0.01 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.77 3m83 n SER 173 Cb 0.18 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 3m83 n SER 173 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3m83 s PHE 174 N -3.15 3.15 0.50 7.33 5.36 -0.63 -4.93 117.98 125.61 3m83 s PHE 174 Ca 0.09 1.06 0.16 0.00 -0.96 0.00 0.00 56.93 57.29 3m83 s PHE 174 Cb 0.12 -3.54 1.22 0.00 -0.34 0.00 0.00 43.02 40.47 3m83 s PHE 174 CO 0.51 -1.85 2.11 -1.35 -1.46 0.00 0.00 175.22 173.18 3m83 h PRO 175 N 7.30 0.00 0.00 10.12 0.11 -1.89 -2.01 132.00 145.64 3m83 h PRO 175 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3m83 h PRO 175 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3m83 h PRO 175 CO 0.87 0.06 0.00 1.04 -0.21 0.00 0.00 178.00 179.75 3m83 n GLN 176 N -4.43 0.36 -2.53 1.05 6.02 -1.26 -4.84 117.38 111.75 3m83 n GLN 176 Ca -0.03 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.54 3m83 n GLN 176 Cb 0.14 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 3m83 n GLN 176 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3m83 s VAL 177 N -2.63 4.43 -0.48 5.09 1.01 -0.76 -0.25 120.40 126.81 3m83 s VAL 177 Ca 0.26 1.74 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 3m83 s VAL 177 Cb 0.20 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.48 3m83 s VAL 177 CO 0.46 -0.02 1.28 -0.62 0.00 0.00 0.00 175.10 176.20 3m83 s ASP 178 N 1.39 6.44 0.19 3.32 -1.08 0.85 -4.78 116.67 123.00 3m83 s ASP 178 Ca 0.53 0.52 0.21 0.00 -0.52 0.00 0.00 52.55 53.29 3m83 s ASP 178 Cb -0.22 -2.55 0.89 0.00 -1.46 0.00 0.00 42.92 39.58 3m83 s ASP 178 CO 0.19 -1.41 1.65 0.00 0.52 0.00 0.00 175.17 176.12 3m83 n GLN 179 N 8.11 0.15 0.00 4.34 6.02 -1.26 -1.55 117.38 133.19 3m83 n GLN 179 Ca 0.13 0.38 0.14 0.00 -0.01 0.00 0.00 57.00 57.65 3m83 n GLN 179 Cb 0.49 -1.78 0.60 0.00 1.02 0.00 0.00 30.24 30.56 3m83 n GLN 179 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3m83 n GLU 180 N -2.05 0.18 -2.58 -1.09 -0.58 -1.26 -4.17 120.64 109.08 3m83 n GLU 180 Ca 0.02 -0.03 -0.15 0.00 -0.42 0.00 0.00 57.16 56.58 3m83 n GLU 180 Cb 0.21 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.60 3m83 n GLU 180 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3m83 n ARG 181 N -1.38 2.10 -3.42 3.49 1.74 -0.59 -4.91 116.66 113.68 3m83 n ARG 181 Ca 0.09 -3.75 -0.38 0.00 -0.77 0.00 0.00 57.85 53.04 3m83 n ARG 181 Cb 0.31 -1.67 -0.08 0.00 -1.02 0.00 0.00 32.46 30.00 3m83 n ARG 181 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3m83 s ILE 182 N -4.08 5.21 -0.08 0.55 1.01 -1.25 -1.28 121.20 121.28 3m83 s ILE 182 Ca 0.35 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.59 3m83 s ILE 182 Cb 0.43 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 3m83 s ILE 182 CO -0.05 0.22 -0.07 -0.69 0.00 0.00 0.00 174.94 174.36 3m83 s VAL 183 N 1.59 3.66 -0.16 2.92 1.01 0.78 -0.50 120.40 129.70 3m83 s VAL 183 Ca 0.16 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 3m83 s VAL 183 Cb -0.15 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3m83 s VAL 183 CO 0.08 0.58 0.04 0.27 0.00 0.00 0.00 175.10 176.07 3m83 s ILE 184 N -0.60 4.59 -0.02 2.22 -4.36 -0.16 0.19 121.20 123.06 3m83 s ILE 184 Ca 0.09 -0.11 -0.02 0.00 -0.26 0.00 0.00 60.65 60.35 3m83 s ILE 184 Cb -0.12 -3.03 0.01 0.00 1.25 0.00 0.00 42.46 40.57 3m83 s ILE 184 CO 0.02 0.50 0.06 0.00 0.24 0.00 0.00 174.94 175.76 3m83 s ALA 185 N 0.09 -0.16 -0.15 2.27 0.00 0.11 -0.57 121.76 123.34 3m83 s ALA 185 Ca 0.04 0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 3m83 s ALA 185 Cb -0.12 -0.11 0.13 0.00 0.00 0.00 0.00 23.12 23.02 3m83 s ALA 185 CO 0.01 -0.03 1.10 0.20 0.00 0.00 0.00 175.76 177.03 3m83 s GLY 186 N 0.07 -0.27 -0.44 0.00 0.00 -0.78 -1.38 107.32 104.50 3m83 s GLY 186 Ca -0.00 1.76 0.05 0.00 0.00 0.00 0.00 44.72 46.52 3m83 s GLY 186 CO -0.00 0.71 1.27 0.61 0.00 0.00 0.00 173.10 175.69 3m83 n GLY 187 N 0.19 6.08 0.00 0.20 0.00 -1.26 -1.52 105.19 108.88 3m83 n GLY 187 Ca -0.05 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.29 3m83 n GLY 187 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3m83 n GLN 189 N -0.58 0.00 -0.03 1.61 7.27 -1.26 -3.24 117.38 121.14 3m83 n GLN 189 Ca 0.43 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.53 3m83 n GLN 189 Cb 0.72 0.00 0.38 0.00 2.41 0.00 0.00 30.24 33.75 3m83 n GLN 189 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3m83 h GLY 190 N 0.00 0.65 1.02 1.69 0.00 -1.79 -0.64 103.07 103.99 3m83 h GLY 190 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 3m83 h GLY 190 CO 0.00 0.25 -0.26 -1.33 0.00 0.00 0.00 176.54 175.20 3m83 h GLY 191 N 0.66 0.86 1.27 4.60 0.00 -1.52 -0.67 103.07 108.28 3m83 h GLY 191 Ca 0.16 -0.84 -0.11 0.00 0.00 0.00 0.00 47.33 46.55 3m83 h GLY 191 CO -0.03 0.76 -0.17 -1.33 0.00 0.00 0.00 176.54 175.76 3m83 h GLY 192 N 0.58 0.92 0.88 4.60 0.00 -1.49 -0.86 103.07 107.69 3m83 h GLY 192 Ca 0.07 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3m83 h GLY 192 CO 0.07 0.69 0.05 -2.22 0.00 0.00 0.00 176.54 175.13 3m83 h ILE 193 N 0.75 1.14 -0.93 2.60 2.04 -1.09 -2.54 117.51 119.48 3m83 h ILE 193 Ca 0.11 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3m83 h ILE 193 Cb 0.70 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3m83 h ILE 193 CO 0.05 0.13 0.59 0.00 0.00 0.00 0.00 178.15 178.92 3m83 h ALA 194 N 0.90 1.28 -0.48 1.87 0.00 -0.98 -0.88 119.26 120.98 3m83 h ALA 194 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3m83 h ALA 194 Cb 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3m83 h ALA 194 CO -0.00 0.64 0.29 1.25 0.00 0.00 0.00 179.25 181.42 3m83 h LEU 195 N 1.27 0.58 -0.43 0.00 5.85 -1.12 -0.25 115.31 121.20 3m83 h LEU 195 Ca 0.34 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.01 3m83 h LEU 195 Cb -0.10 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3m83 h LEU 195 CO -0.07 0.47 0.26 0.00 -0.34 0.00 0.00 178.44 178.76 3m83 h ALA 196 N 1.13 0.54 -0.18 1.25 0.00 -0.95 -2.70 119.26 118.36 3m83 h ALA 196 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3m83 h ALA 196 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3m83 h ALA 196 CO -0.03 -0.06 0.01 0.28 0.00 0.00 0.00 179.25 179.45 3m83 h VAL 197 N 0.53 1.11 0.00 0.00 2.07 -0.76 -2.04 116.25 117.15 3m83 h VAL 197 Ca 0.17 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3m83 h VAL 197 Cb -0.01 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3m83 h VAL 197 CO -0.07 0.14 -0.13 0.77 0.02 0.00 0.00 177.57 178.30 3m83 h SER 198 N 0.26 0.00 0.32 0.57 4.64 -0.71 0.73 113.55 119.36 3m83 h SER 198 Ca 0.06 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.06 3m83 h SER 198 Cb 0.16 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 3m83 h SER 198 CO 0.00 0.13 -1.91 0.00 -0.87 0.00 0.00 176.83 174.19 3m83 n ALA 199 N -2.26 1.38 -0.05 5.18 0.00 -0.89 -4.32 120.51 119.54 3m83 n ALA 199 Ca -0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 53.44 52.53 3m83 n ALA 199 Cb 0.26 -0.68 -0.15 0.00 0.00 0.00 0.00 19.45 18.89 3m83 n ALA 199 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m83 n LEU 200 N -3.09 0.30 -4.84 0.00 4.77 -0.82 -4.89 117.00 108.44 3m83 n LEU 200 Ca -0.23 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.54 3m83 n LEU 200 Cb 1.07 0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 42.41 3m83 n LEU 200 CO 0.43 0.36 0.37 -0.55 -1.33 0.00 0.00 177.39 176.68 3m83 s SER 201 N -5.53 6.89 -0.00 -1.43 0.15 0.22 -4.98 113.70 109.02 3m83 s SER 201 Ca -0.08 1.27 0.20 0.00 0.70 0.00 0.00 55.95 58.05 3m83 s SER 201 Cb 0.08 -2.37 -0.24 0.00 -1.71 0.00 0.00 66.02 61.79 3m83 s SER 201 CO 0.84 -0.04 0.81 0.29 1.20 0.00 0.00 173.24 176.33 3m83 n LYS 202 N 0.32 0.32 -0.03 5.44 4.76 -1.26 -4.58 118.16 123.12 3m83 n LYS 202 Ca -0.01 -0.03 0.03 0.00 -2.87 0.00 0.00 58.31 55.44 3m83 n LYS 202 Cb 0.52 -1.47 -0.15 0.00 -1.84 0.00 0.00 35.03 32.09 3m83 n LYS 202 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3m83 n LYS 203 N -1.59 0.66 -2.07 1.97 4.76 -1.26 -4.97 118.16 115.67 3m83 n LYS 203 Ca 0.03 -0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 54.97 3m83 n LYS 203 Cb 0.35 -1.55 -0.02 0.00 -1.84 0.00 0.00 35.03 31.97 3m83 n LYS 203 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m83 s ALA 204 N -3.13 3.54 -0.04 7.82 0.00 -1.26 -4.75 121.76 123.94 3m83 s ALA 204 Ca -0.08 1.29 0.11 0.00 0.00 0.00 0.00 51.96 53.28 3m83 s ALA 204 Cb 0.11 -3.51 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 3m83 s ALA 204 CO 0.87 -0.69 0.19 1.63 0.00 0.00 0.00 175.76 177.76 3m83 n LYS 205 N 1.35 0.86 -3.69 0.00 4.76 0.35 -4.97 118.16 116.82 3m83 n LYS 205 Ca 0.02 -0.08 -0.14 0.00 -2.87 0.00 0.00 58.31 55.24 3m83 n LYS 205 Cb 0.41 -1.27 -0.08 0.00 -1.84 0.00 0.00 35.03 32.26 3m83 n LYS 205 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m83 s ALA 206 N -2.65 -1.05 -0.13 7.82 0.00 -1.17 -4.23 121.76 120.34 3m83 s ALA 206 Ca -0.04 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.47 3m83 s ALA 206 Cb 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3m83 s ALA 206 CO 0.46 -0.32 -0.17 -1.17 0.00 0.00 0.00 175.76 174.56 3m83 s LEU 207 N -1.43 2.46 -0.26 0.00 2.96 0.14 -0.98 118.68 121.56 3m83 s LEU 207 Ca -0.11 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 3m83 s LEU 207 Cb -0.03 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 3m83 s LEU 207 CO 0.04 0.13 0.06 -0.76 -1.32 0.00 0.00 176.35 174.51 3m83 s LEU 208 N 0.52 3.54 -0.33 -0.68 1.43 0.26 -1.31 118.68 122.11 3m83 s LEU 208 Ca -0.11 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3m83 s LEU 208 Cb -0.16 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.28 3m83 s LEU 208 CO 0.04 -0.09 0.14 0.00 0.23 0.00 0.00 176.35 176.67 3m83 s ASP 210 N 1.51 5.89 -1.19 0.00 1.01 -0.58 -1.92 116.67 121.39 3m83 s ASP 210 Ca 0.12 0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.49 3m83 s ASP 210 Cb -0.19 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.79 3m83 s ASP 210 CO -0.22 0.25 0.17 1.33 0.21 0.00 0.00 175.17 176.91 3m83 n VAL 211 N 3.04 -1.23 -1.75 -1.27 0.24 -0.54 -4.21 118.33 112.61 3m83 n VAL 211 Ca -0.17 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 3m83 n VAL 211 Cb 0.53 -1.13 -0.02 0.00 -1.47 0.00 0.00 33.84 31.75 3m83 n VAL 211 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3m83 s PRO 212 N -6.75 4.11 0.41 7.34 0.04 -1.26 -4.76 135.00 134.13 3m83 s PRO 212 Ca 0.13 2.60 0.05 0.00 0.04 0.00 0.00 61.00 63.81 3m83 s PRO 212 Cb -0.07 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.44 3m83 s PRO 212 CO 0.82 -0.67 0.59 0.12 0.04 0.00 0.00 177.00 177.89 3m83 s PHE 213 N 0.31 3.03 -0.46 0.56 5.36 -1.26 -4.64 117.98 120.88 3m83 s PHE 213 Ca 0.66 -0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.50 3m83 s PHE 213 Cb -0.49 -2.28 0.00 0.00 -0.34 0.00 0.00 43.02 39.92 3m83 s PHE 213 CO 0.44 -0.32 0.14 1.28 -1.46 0.00 0.00 175.22 175.30 3m83 n LEU 214 N -1.90 -1.75 -4.15 6.12 4.77 -1.26 -3.52 117.00 115.30 3m83 n LEU 214 Ca 0.03 -0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 3m83 n LEU 214 Cb 0.58 -1.21 -0.16 0.00 -2.33 0.00 0.00 43.42 40.30 3m83 n LEU 214 CO 0.43 0.04 -0.51 0.00 -1.33 0.00 0.00 177.39 176.02 3m83 n HIS 216 N 3.09 -1.92 -0.31 0.00 -0.00 -1.26 -4.68 115.22 110.14 3m83 n HIS 216 Ca -0.18 0.62 0.05 0.00 -0.00 0.00 0.00 57.72 58.22 3m83 n HIS 216 Cb 0.53 -3.76 0.21 0.00 -0.00 0.00 0.00 29.99 26.96 3m83 n HIS 216 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 3m83 h PHE 217 N -1.80 0.92 -0.56 1.57 0.04 -1.95 -1.30 116.94 113.86 3m83 h PHE 217 Ca -0.64 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.11 3m83 h PHE 217 Cb 1.36 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 3m83 h PHE 217 CO 0.39 0.33 0.17 -0.09 -0.60 0.00 0.00 178.31 178.51 3m83 h ARG 218 N 0.81 0.87 -0.21 1.51 9.65 -1.99 -1.59 114.38 123.44 3m83 h ARG 218 Ca 0.45 -0.19 -0.05 0.00 -1.10 0.00 0.00 59.98 59.09 3m83 h ARG 218 Cb 0.49 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 3m83 h ARG 218 CO -0.28 0.79 -0.05 -0.09 2.80 0.00 0.00 179.97 183.14 3m83 h ARG 219 N 0.79 0.40 -0.56 0.20 9.65 -1.82 -3.02 114.38 120.01 3m83 h ARG 219 Ca 0.18 -0.15 0.11 0.00 -1.10 0.00 0.00 59.98 59.02 3m83 h ARG 219 Cb 0.28 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.75 3m83 h ARG 219 CO -0.01 0.65 0.05 0.00 2.80 0.00 0.00 179.97 183.46 3m83 h ALA 220 N 0.74 0.59 -0.19 2.80 0.00 -0.91 -0.93 119.26 121.35 3m83 h ALA 220 Ca 0.05 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3m83 h ALA 220 Cb 0.50 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3m83 h ALA 220 CO 0.02 -0.36 -0.30 0.28 0.00 0.00 0.00 179.25 178.89 3m83 h VAL 221 N 0.17 1.27 0.00 0.00 2.07 -1.36 -1.72 116.25 116.69 3m83 h VAL 221 Ca 0.29 -1.31 -0.14 0.00 0.82 0.00 0.00 66.70 66.35 3m83 h VAL 221 Cb 0.44 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3m83 h VAL 221 CO -0.43 0.41 -0.68 1.56 0.02 0.00 0.00 177.57 178.44 3m83 h GLN 222 N 0.32 0.00 0.06 1.57 4.20 -1.29 -3.39 115.11 116.58 3m83 h GLN 222 Ca 0.04 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.40 3m83 h GLN 222 Cb 0.70 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 3m83 h GLN 222 CO 0.05 0.68 -2.01 -0.11 -0.67 0.00 0.00 178.83 176.78 3m83 n LEU 223 N -3.62 2.50 -4.40 1.46 0.00 -0.40 -4.98 117.00 107.55 3m83 n LEU 223 Ca -0.01 0.19 -0.26 0.00 0.00 0.00 0.00 56.01 55.94 3m83 n LEU 223 Cb 0.69 -1.02 -0.12 0.00 0.00 0.00 0.00 43.42 42.98 3m83 n LEU 223 CO 0.43 0.74 -0.52 0.68 0.00 0.00 0.00 177.39 178.72 3m83 s VAL 224 N -2.51 2.23 -0.49 1.96 -7.23 -0.69 -5.02 120.40 108.65 3m83 s VAL 224 Ca -0.28 -2.02 0.11 0.00 -1.81 0.00 0.00 61.98 57.98 3m83 s VAL 224 Cb 0.08 -2.06 0.29 0.00 0.56 0.00 0.00 36.38 35.25 3m83 s VAL 224 CO 0.68 -0.18 1.23 -0.90 -0.31 0.00 0.00 175.10 175.62 3m83 n ASP 225 N 0.23 2.91 -4.87 4.85 5.75 -1.26 -4.69 116.55 119.47 3m83 n ASP 225 Ca -0.12 -2.34 -0.30 0.00 -0.01 0.00 0.00 54.79 52.01 3m83 n ASP 225 Cb 0.56 -0.28 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 3m83 n ASP 225 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3m83 s THR 226 N -1.60 4.72 0.45 2.12 -4.23 -1.26 -4.74 115.64 111.10 3m83 s THR 226 Ca 0.24 0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 61.36 3m83 s THR 226 Cb 0.16 -3.80 -0.08 0.00 1.34 0.00 0.00 72.50 70.12 3m83 s THR 226 CO 0.10 -0.84 0.90 -1.00 -0.54 0.00 0.00 174.62 173.24 3m83 s HIS 227 N -2.78 3.42 -1.04 3.99 3.76 -1.26 -1.31 115.29 120.06 3m83 s HIS 227 Ca 0.54 1.38 0.27 0.00 -0.15 0.00 0.00 55.06 57.10 3m83 s HIS 227 Cb -0.10 -2.70 0.91 0.00 1.11 0.00 0.00 32.58 31.79 3m83 s HIS 227 CO 0.42 -0.20 1.69 -0.35 -0.85 0.00 0.00 174.74 175.44 3m83 n PRO 228 N -1.18 0.04 -0.08 8.40 -0.05 -1.26 -4.87 135.00 136.01 3m83 n PRO 228 Ca 0.05 -0.02 0.16 0.00 -0.05 0.00 0.00 63.50 63.65 3m83 n PRO 228 Cb 0.54 -1.50 0.57 0.00 -0.05 0.00 0.00 33.50 33.06 3m83 n PRO 228 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3m83 h TYR 229 N 0.04 0.29 0.00 0.54 0.05 -1.87 -1.24 116.97 114.78 3m83 h TYR 229 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3m83 h TYR 229 Cb 0.49 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.14 3m83 h TYR 229 CO 0.00 0.12 0.00 0.00 -1.05 0.00 0.00 178.16 177.23 3m83 h ALA 230 N 1.70 1.00 -0.78 3.88 0.00 -1.49 -2.01 119.26 121.56 3m83 h ALA 230 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3m83 h ALA 230 Cb 0.81 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3m83 h ALA 230 CO -0.06 0.00 0.48 0.93 0.00 0.00 0.00 179.25 180.59 3m83 h GLU 231 N 0.00 1.05 -0.13 0.00 5.08 -1.51 -0.26 114.58 118.81 3m83 h GLU 231 Ca 0.00 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3m83 h GLU 231 Cb 0.14 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3m83 h GLU 231 CO 0.00 0.74 0.06 0.82 -1.00 0.00 0.00 179.01 179.63 3m83 h ILE 232 N 1.06 1.12 -0.49 3.13 2.04 -1.53 -1.83 117.51 121.01 3m83 h ILE 232 Ca 0.28 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3m83 h ILE 232 Cb -0.05 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3m83 h ILE 232 CO -0.05 0.11 0.30 0.74 0.00 0.00 0.00 178.15 179.24 3m83 h THR 233 N 0.09 1.06 -0.53 -0.27 2.02 -1.50 -0.88 112.91 112.91 3m83 h THR 233 Ca 0.04 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 3m83 h THR 233 Cb 0.12 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3m83 h THR 233 CO -0.01 0.11 0.05 0.78 0.37 0.00 0.00 175.52 176.83 3m83 h ASN 234 N 0.60 0.81 -0.45 4.18 2.35 -0.97 0.95 115.58 123.04 3m83 h ASN 234 Ca 0.20 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3m83 h ASN 234 Cb 0.00 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3m83 h ASN 234 CO -0.08 0.85 0.27 0.15 -1.65 0.00 0.00 177.43 176.97 3m83 h PHE 235 N 0.81 0.60 -0.04 1.19 3.04 -1.02 -3.11 116.94 118.42 3m83 h PHE 235 Ca 0.16 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.01 3m83 h PHE 235 Cb 0.41 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 3m83 h PHE 235 CO 0.02 0.42 -0.47 -0.07 -2.02 0.00 0.00 178.31 176.19 3m83 h LEU 236 N 0.60 0.09 -1.53 0.59 3.38 -0.64 0.87 115.31 118.68 3m83 h LEU 236 Ca 0.16 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3m83 h LEU 236 Cb -0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3m83 h LEU 236 CO -0.03 0.55 0.34 0.11 0.09 0.00 0.00 178.44 179.51 3m83 h LYS 237 N 0.07 0.61 0.01 1.13 1.57 -0.76 -3.28 116.57 115.92 3m83 h LYS 237 Ca 0.00 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.43 3m83 h LYS 237 Cb 0.86 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 3m83 h LYS 237 CO 0.07 0.40 -1.71 2.41 -0.57 0.00 0.00 179.45 180.05 3m83 n THR 238 N -4.47 1.56 -2.41 -0.16 -1.04 -1.09 -4.60 114.28 102.08 3m83 n THR 238 Ca 0.06 -0.21 -0.43 0.00 -2.04 0.00 0.00 64.05 61.43 3m83 n THR 238 Cb 0.11 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 66.68 3m83 n THR 238 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3m83 n HIS 239 N -4.24 2.99 0.29 -1.42 8.25 0.28 -4.79 115.22 116.58 3m83 n HIS 239 Ca -0.38 -2.80 0.18 0.00 -0.26 0.00 0.00 57.72 54.45 3m83 n HIS 239 Cb 0.79 -1.91 0.78 0.00 1.12 0.00 0.00 29.99 30.76 3m83 n HIS 239 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m83 h ARG 240 N 5.79 0.00 -0.00 -0.41 3.08 -1.81 -1.83 114.38 119.19 3m83 h ARG 240 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3m83 h ARG 240 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3m83 h ARG 240 CO 1.59 0.01 -0.07 -0.40 -1.07 0.00 0.00 179.97 180.03 3m83 n ASP 241 N -3.11 0.33 -0.70 7.04 5.75 -1.26 -4.39 116.55 120.21 3m83 n ASP 241 Ca -0.00 -0.52 0.06 0.00 -0.01 0.00 0.00 54.79 54.32 3m83 n ASP 241 Cb 0.27 -0.12 0.17 0.00 -1.03 0.00 0.00 41.12 40.41 3m83 n ASP 241 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3m83 n LYS 242 N -1.02 2.90 -0.02 0.11 4.76 -0.69 -4.73 118.16 119.47 3m83 n LYS 242 Ca 0.15 -2.20 -0.09 0.00 -2.87 0.00 0.00 58.31 53.30 3m83 n LYS 242 Cb 0.26 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 3m83 n LYS 242 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3m83 h GLU 243 N 2.01 -0.03 -0.33 1.97 4.81 -1.77 0.01 114.58 121.26 3m83 h GLU 243 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3m83 h GLU 243 Cb 0.86 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3m83 h GLU 243 CO 0.04 -0.02 0.14 1.49 -0.73 0.00 0.00 179.01 179.93 3m83 h GLU 244 N -0.03 0.48 -0.75 1.92 4.81 -1.95 -2.39 114.58 116.67 3m83 h GLU 244 Ca 0.08 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3m83 h GLU 244 Cb 0.15 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3m83 h GLU 244 CO -0.18 0.47 0.49 0.82 -0.73 0.00 0.00 179.01 179.87 3m83 h ILE 245 N 0.39 1.16 -0.22 2.32 2.04 -1.84 -0.90 117.51 120.46 3m83 h ILE 245 Ca 0.11 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3m83 h ILE 245 Cb 0.16 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3m83 h ILE 245 CO -0.01 0.18 0.05 0.58 0.00 0.00 0.00 178.15 178.95 3m83 h VAL 246 N 0.98 1.21 0.00 1.67 2.07 -0.70 -1.22 116.25 120.26 3m83 h VAL 246 Ca 0.29 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3m83 h VAL 246 Cb -0.06 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3m83 h VAL 246 CO -0.08 0.22 -0.43 -0.26 0.02 0.00 0.00 177.57 177.04 3m83 h PHE 247 N 0.18 0.00 0.17 1.57 0.04 -1.41 -1.44 116.94 116.05 3m83 h PHE 247 Ca 0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3m83 h PHE 247 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3m83 h PHE 247 CO 0.01 0.43 -0.08 -0.09 -0.60 0.00 0.00 178.31 177.98 3m83 h ARG 248 N 0.00 -0.22 -0.19 1.51 2.43 -0.88 -2.34 114.38 114.69 3m83 h ARG 248 Ca -0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3m83 h ARG 248 Cb 1.03 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 3m83 h ARG 248 CO 0.06 -0.07 -0.06 1.15 -1.51 0.00 0.00 179.97 179.54 3m83 h THR 249 N -0.32 0.79 0.00 0.20 2.02 -1.07 -2.83 112.91 111.69 3m83 h THR 249 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3m83 h THR 249 Cb 0.25 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3m83 h THR 249 CO 0.04 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.80 3m83 h LEU 250 N -0.01 0.00 -1.78 2.58 3.38 -1.21 -2.25 115.31 116.02 3m83 h LEU 250 Ca 0.10 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.16 3m83 h LEU 250 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3m83 h LEU 250 CO -0.21 0.06 0.34 0.77 0.09 0.00 0.00 178.44 179.49 3m83 h SER 251 N 0.00 0.22 0.89 -0.43 4.64 -1.15 -0.89 113.55 116.83 3m83 h SER 251 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m83 h SER 251 Cb 0.12 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3m83 h SER 251 CO 0.01 0.13 0.00 -1.22 -0.87 0.00 0.00 176.83 174.88 3m83 n TYR 252 N -4.46 0.43 -0.07 4.77 4.02 -0.84 -3.48 117.16 117.53 3m83 n TYR 252 Ca 0.08 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 3m83 n TYR 252 Cb 0.39 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 3m83 n TYR 252 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3m83 n PHE 253 N -1.87 0.00 -2.60 -0.72 3.72 -0.38 -5.03 117.46 110.58 3m83 n PHE 253 Ca 0.04 -0.32 -0.43 0.00 -0.05 0.00 0.00 57.45 56.69 3m83 n PHE 253 Cb 0.28 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 3m83 n PHE 253 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3m83 s ASP 254 N -0.65 7.13 0.53 4.37 -1.08 -0.99 -4.88 116.67 121.09 3m83 s ASP 254 Ca 0.00 1.56 0.22 0.00 -0.52 0.00 0.00 52.55 53.82 3m83 s ASP 254 Cb 0.00 -2.55 1.37 0.00 -1.46 0.00 0.00 42.92 40.28 3m83 s ASP 254 CO 0.00 -0.58 2.05 1.23 0.52 0.00 0.00 175.17 178.39 3m83 h GLY 255 N 8.69 0.00 1.01 2.66 0.00 -1.50 -0.54 103.07 113.39 3m83 h GLY 255 Ca -0.27 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.06 3m83 h GLY 255 CO 0.91 0.00 0.64 -2.08 0.00 0.00 0.00 176.54 176.01 3m83 h VAL 256 N 0.00 1.26 -0.04 4.60 2.07 -1.91 0.14 116.25 122.36 3m83 h VAL 256 Ca 0.16 -0.48 -0.18 0.00 0.82 0.00 0.00 66.70 67.02 3m83 h VAL 256 Cb 0.65 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3m83 h VAL 256 CO -0.00 0.25 -0.76 0.78 0.02 0.00 0.00 177.57 177.86 3m83 h ASN 257 N 1.33 0.35 -0.27 0.57 2.35 -1.44 -2.63 115.58 115.85 3m83 h ASN 257 Ca 0.36 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 3m83 h ASN 257 Cb -0.14 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 3m83 h ASN 257 CO -0.08 0.99 -0.41 -0.26 -1.65 0.00 0.00 177.43 176.02 3m83 h PHE 258 N 0.19 0.93 -0.92 1.19 0.04 -1.31 -3.29 116.94 113.77 3m83 h PHE 258 Ca -0.03 -0.31 0.05 0.00 2.80 0.00 0.00 57.97 60.48 3m83 h PHE 258 Cb 1.34 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 39.24 3m83 h PHE 258 CO 0.03 1.10 0.60 0.00 -0.60 0.00 0.00 178.31 179.44 3m83 h ALA 259 N 0.67 1.47 0.00 2.45 0.00 -0.63 -0.31 119.26 122.91 3m83 h ALA 259 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m83 h ALA 259 Cb 1.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3m83 h ALA 259 CO 0.09 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3m83 h ALA 260 N 1.49 1.00 0.00 0.00 0.00 -1.45 -1.53 119.26 118.77 3m83 h ALA 260 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3m83 h ALA 260 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3m83 h ALA 260 CO -0.14 0.00 -0.81 0.54 0.00 0.00 0.00 179.25 178.84 3m83 n ARG 261 N -2.78 2.07 -2.88 0.00 1.74 -0.18 -4.63 116.66 110.00 3m83 n ARG 261 Ca -0.02 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.64 3m83 n ARG 261 Cb 0.07 -1.19 -0.05 0.00 -1.02 0.00 0.00 32.46 30.27 3m83 n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m83 s ALA 262 N -2.43 3.37 -0.02 7.54 0.00 -0.88 -4.81 121.76 124.53 3m83 s ALA 262 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3m83 s ALA 262 Cb 0.10 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 3m83 s ALA 262 CO 0.58 0.17 0.02 1.63 0.00 0.00 0.00 175.76 178.16 3m83 n LYS 263 N 2.04 5.84 -2.49 0.00 4.76 -1.26 -1.35 118.16 125.70 3m83 n LYS 263 Ca -0.03 -0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.09 3m83 n LYS 263 Cb 0.49 -0.59 -0.04 0.00 -1.84 0.00 0.00 35.03 33.05 3m83 n LYS 263 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3m83 s ILE 264 N -1.19 4.56 0.38 -0.18 -4.36 -1.26 -4.30 121.20 114.85 3m83 s ILE 264 Ca 0.00 1.16 -0.28 0.00 -0.26 0.00 0.00 60.65 61.27 3m83 s ILE 264 Cb 0.00 -3.71 -0.11 0.00 1.25 0.00 0.00 42.46 39.89 3m83 s ILE 264 CO 0.02 -0.64 1.48 -2.84 0.24 0.00 0.00 174.94 173.20 3m83 s PRO 265 N -3.98 4.10 0.01 0.37 0.02 -1.26 -4.23 135.00 130.04 3m83 s PRO 265 Ca 0.58 2.56 0.01 0.00 0.02 0.00 0.00 61.00 64.17 3m83 s PRO 265 Cb -0.10 -2.96 -0.01 0.00 0.02 0.00 0.00 34.50 31.45 3m83 s PRO 265 CO 0.30 -0.53 -0.05 0.00 -0.33 0.00 0.00 177.00 176.39 3m83 s ALA 266 N -1.12 0.37 -0.24 -1.55 0.00 -0.19 -0.69 121.76 118.34 3m83 s ALA 266 Ca 0.53 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 3m83 s ALA 266 Cb -0.46 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 22.67 3m83 s ALA 266 CO 0.63 0.02 -0.09 -1.17 0.00 0.00 0.00 175.76 175.14 3m83 s LEU 267 N -0.70 3.02 0.33 0.00 2.96 -0.42 -1.89 118.68 121.98 3m83 s LEU 267 Ca -0.04 -0.88 0.03 0.00 -0.22 0.00 0.00 54.13 53.02 3m83 s LEU 267 Cb -0.05 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3m83 s LEU 267 CO -0.00 -0.11 0.50 -0.36 -1.32 0.00 0.00 176.35 175.06 3m83 s PHE 268 N 1.30 3.37 0.03 5.38 0.40 0.06 -1.41 117.98 127.09 3m83 s PHE 268 Ca 0.00 0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.41 3m83 s PHE 268 Cb -0.16 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.46 3m83 s PHE 268 CO -0.06 0.11 0.06 -1.54 0.70 0.00 0.00 175.22 174.49 3m83 s SER 269 N -4.08 0.19 -0.15 1.36 1.04 -0.81 -1.27 113.70 109.99 3m83 s SER 269 Ca 0.41 -0.50 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 3m83 s SER 269 Cb -0.09 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.25 3m83 s SER 269 CO 0.33 -0.43 0.38 0.54 0.98 0.00 0.00 173.24 175.05 3m83 s VAL 270 N -2.15 -0.00 -0.22 5.02 0.11 -0.82 -1.47 120.40 120.87 3m83 s VAL 270 Ca -0.09 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 58.91 3m83 s VAL 270 Cb -0.04 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 3m83 s VAL 270 CO -0.03 0.01 0.05 -0.83 -3.33 0.00 0.00 175.10 170.97 3m83 s GLY 271 N 0.41 1.80 0.27 6.54 0.00 -1.26 -0.94 107.32 114.14 3m83 s GLY 271 Ca -0.02 -0.97 0.25 0.00 0.00 0.00 0.00 44.72 43.98 3m83 s GLY 271 CO -0.02 0.31 1.75 1.41 0.00 0.00 0.00 173.10 176.55 3m83 h LEU 272 N 7.57 0.00 -3.19 0.66 3.38 -1.24 -2.42 115.31 120.07 3m83 h LEU 272 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3m83 h LEU 272 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3m83 h LEU 272 CO 0.62 0.00 0.00 0.23 0.09 0.00 0.00 178.44 179.38 3m83 n MET 273 N -2.33 3.45 -2.31 1.13 2.81 -0.65 -4.66 117.12 114.56 3m83 n MET 273 Ca 0.03 -2.75 -0.43 0.00 -1.81 0.00 0.00 57.70 52.74 3m83 n MET 273 Cb 0.29 -1.81 -0.02 0.00 -0.71 0.00 0.00 33.22 30.97 3m83 n MET 273 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3m83 s ASP 274 N -1.28 6.39 0.00 7.83 -1.08 -0.91 -4.42 116.67 123.20 3m83 s ASP 274 Ca 0.43 1.07 0.22 0.00 -0.52 0.00 0.00 52.55 53.75 3m83 s ASP 274 Cb 0.31 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.77 3m83 s ASP 274 CO 0.16 -1.34 1.47 -0.46 0.52 0.00 0.00 175.17 175.52 3m83 n ASN 275 N 8.58 3.52 -0.13 -0.34 6.94 -1.26 -3.53 115.26 129.04 3m83 n ASN 275 Ca 0.17 -1.98 -0.25 0.00 -0.02 0.00 0.00 54.58 52.49 3m83 n ASN 275 Cb 0.47 -0.36 -0.09 0.00 -2.36 0.00 0.00 39.78 37.44 3m83 n ASN 275 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3m83 n ILE 276 N 1.46 1.52 -3.85 1.53 2.08 -1.26 -4.59 119.36 116.25 3m83 n ILE 276 Ca 0.21 -0.24 -0.32 0.00 0.56 0.00 0.00 62.75 62.96 3m83 n ILE 276 Cb 0.58 -1.98 -0.12 0.00 -0.75 0.00 0.00 39.64 37.37 3m83 n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m83 n PRO 278 N 2.94 1.79 0.08 0.00 -0.02 -1.23 -4.74 135.00 133.81 3m83 n PRO 278 Ca 0.10 0.65 0.18 0.00 -2.02 0.00 0.00 63.50 62.41 3m83 n PRO 278 Cb 0.35 -2.57 0.71 0.00 -0.02 0.00 0.00 33.50 31.96 3m83 n PRO 278 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3m83 h PRO 279 N 1.60 0.00 -0.12 0.52 0.13 -1.78 -1.74 132.00 130.61 3m83 h PRO 279 Ca -0.51 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 3m83 h PRO 279 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3m83 h PRO 279 CO 0.58 0.00 -0.45 0.66 -0.23 0.00 0.00 178.00 178.55 3m83 h SER 280 N 0.00 0.31 -0.21 1.44 4.64 -1.94 0.12 113.55 117.91 3m83 h SER 280 Ca 0.18 -0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 61.18 3m83 h SER 280 Cb 0.77 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3m83 h SER 280 CO -0.00 0.72 -0.54 0.71 -0.87 0.00 0.00 176.83 176.85 3m83 h THR 281 N 0.24 1.29 -0.13 2.95 1.35 -1.65 -1.65 112.91 115.30 3m83 h THR 281 Ca 0.02 -1.74 -0.04 0.00 -0.55 0.00 0.00 66.41 64.10 3m83 h THR 281 Cb 0.89 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3m83 h THR 281 CO 0.07 0.56 -0.08 0.58 -0.25 0.00 0.00 175.52 176.40 3m83 h VAL 282 N 0.61 1.33 -0.58 6.82 2.07 -1.39 -2.85 116.25 122.27 3m83 h VAL 282 Ca 0.02 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 3m83 h VAL 282 Cb 1.13 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 3m83 h VAL 282 CO 0.12 0.33 0.09 -0.26 0.02 0.00 0.00 177.57 177.87 3m83 h PHE 283 N -0.09 0.97 -0.37 1.57 0.04 -0.81 0.55 116.94 118.80 3m83 h PHE 283 Ca 0.03 -0.12 0.07 0.00 2.80 0.00 0.00 57.97 60.75 3m83 h PHE 283 Cb 0.56 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 38.38 3m83 h PHE 283 CO 0.07 0.83 -0.02 0.00 -0.60 0.00 0.00 178.31 178.59 3m83 h ALA 284 N 1.23 0.31 -0.13 2.45 0.00 -1.31 0.39 119.26 122.18 3m83 h ALA 284 Ca 0.18 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3m83 h ALA 284 Cb 0.38 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3m83 h ALA 284 CO 0.01 -0.41 0.08 0.00 0.00 0.00 0.00 179.25 178.92 3m83 h ALA 285 N 1.33 0.17 -0.76 0.00 0.00 -1.24 -2.69 119.26 116.07 3m83 h ALA 285 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3m83 h ALA 285 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3m83 h ALA 285 CO -0.32 -0.31 0.31 -0.92 0.00 0.00 0.00 179.25 178.02 3m83 h TYR 286 N 0.14 1.15 -0.08 0.00 3.20 -0.39 -1.78 116.97 119.21 3m83 h TYR 286 Ca 0.05 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 3m83 h TYR 286 Cb 0.04 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 3m83 h TYR 286 CO -0.05 0.87 -0.48 -0.91 -1.64 0.00 0.00 178.16 175.95 3m83 h ASN 287 N 1.10 0.22 0.84 -2.11 2.35 -0.22 -2.58 115.58 115.18 3m83 h ASN 287 Ca 0.26 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3m83 h ASN 287 Cb 0.20 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3m83 h ASN 287 CO -0.02 0.67 -0.27 -1.22 -1.65 0.00 0.00 177.43 174.94 3m83 n TYR 288 N -3.97 0.17 -1.68 1.19 4.01 -1.02 -4.91 117.16 110.95 3m83 n TYR 288 Ca -0.02 0.05 -0.43 0.00 -0.16 0.00 0.00 57.90 57.34 3m83 n TYR 288 Cb 0.52 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 3m83 n TYR 288 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3m83 n TYR 289 N -1.66 2.57 1.06 -0.72 9.36 -0.68 -3.27 117.16 123.82 3m83 n TYR 289 Ca 0.06 -0.16 0.12 0.00 3.32 0.00 0.00 57.90 61.24 3m83 n TYR 289 Cb 0.36 -2.73 0.25 0.00 -0.63 0.00 0.00 39.34 36.58 3m83 n TYR 289 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3m83 n ALA 290 N 5.96 3.53 -1.98 2.98 0.00 -0.61 -4.92 120.51 125.46 3m83 n ALA 290 Ca 0.19 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 3m83 n ALA 290 Cb 0.37 -1.09 0.05 0.00 0.00 0.00 0.00 19.45 18.79 3m83 n ALA 290 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m83 s GLY 291 N -2.86 1.81 0.27 0.00 0.00 -0.46 -4.77 107.32 101.32 3m83 s GLY 291 Ca 0.14 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.05 3m83 s GLY 291 CO 0.67 -1.15 1.48 -1.05 0.00 0.00 0.00 173.10 173.05 3m83 n PRO 292 N -2.42 2.35 -3.72 2.90 -0.02 -1.26 -4.86 135.00 127.96 3m83 n PRO 292 Ca 0.10 0.83 -0.14 0.00 -2.02 0.00 0.00 63.50 62.28 3m83 n PRO 292 Cb 0.60 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3m83 n PRO 292 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3m83 s LYS 293 N -0.58 0.75 0.04 -0.52 -2.85 -1.26 -1.02 119.74 114.29 3m83 s LYS 293 Ca 0.65 -0.17 -0.00 0.00 -1.00 0.00 0.00 55.97 55.45 3m83 s LYS 293 Cb -0.57 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 35.50 3m83 s LYS 293 CO 0.50 -0.22 -0.03 -1.21 0.10 0.00 0.00 175.35 174.49 3m83 s GLU 294 N -1.49 0.49 -0.04 1.78 2.02 -0.79 -4.98 118.70 115.69 3m83 s GLU 294 Ca -0.12 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 53.93 3m83 s GLU 294 Cb -0.04 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.35 3m83 s GLU 294 CO 0.04 -0.08 -0.08 -1.50 0.02 0.00 0.00 175.26 173.66 3m83 s ILE 295 N -2.82 0.76 -0.21 -1.63 2.07 -1.26 -0.76 121.20 117.34 3m83 s ILE 295 Ca -0.03 -0.31 -0.14 0.00 -1.41 0.00 0.00 60.65 58.77 3m83 s ILE 295 Cb -0.00 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.84 3m83 s ILE 295 CO -0.06 0.25 0.30 -0.13 -1.91 0.00 0.00 174.94 173.39 3m83 s ARG 296 N 0.46 4.15 -0.17 3.50 1.81 -0.40 -4.96 118.95 123.34 3m83 s ARG 296 Ca -0.07 0.01 -0.04 0.00 -1.72 0.00 0.00 55.73 53.91 3m83 s ARG 296 Cb -0.11 -3.52 -0.02 0.00 -0.45 0.00 0.00 34.95 30.84 3m83 s ARG 296 CO 0.01 0.04 -0.03 0.42 -0.68 0.00 0.00 175.30 175.05 3m83 s ILE 297 N 1.09 3.81 -0.52 1.52 1.01 -1.26 -1.94 121.20 124.90 3m83 s ILE 297 Ca 0.14 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3m83 s ILE 297 Cb -0.14 -2.69 0.13 0.00 0.01 0.00 0.00 42.46 39.78 3m83 s ILE 297 CO 0.06 0.47 0.29 -0.31 0.00 0.00 0.00 174.94 175.45 3m83 s TYR 298 N 0.61 3.34 0.53 3.97 2.02 -0.12 -4.99 117.35 122.72 3m83 s TYR 298 Ca -0.02 -2.97 0.23 0.00 -0.37 0.00 0.00 57.07 53.93 3m83 s TYR 298 Cb -0.14 -2.97 1.49 0.00 -0.40 0.00 0.00 41.96 39.93 3m83 s TYR 298 CO 0.02 -0.81 2.17 -1.35 -1.57 0.00 0.00 175.55 174.02 3m83 h PRO 299 N 6.87 0.00 -0.04 -1.71 0.11 -1.96 -1.49 132.00 133.79 3m83 h PRO 299 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3m83 h PRO 299 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3m83 h PRO 299 CO 0.68 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.16 3m83 n TYR 300 N -4.14 0.03 -3.70 0.65 4.01 -1.26 -4.09 117.16 108.65 3m83 n TYR 300 Ca -0.03 -0.02 -0.34 0.00 -0.16 0.00 0.00 57.90 57.35 3m83 n TYR 300 Cb 0.12 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 3m83 n TYR 300 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3m83 s ASN 301 N -1.18 6.53 0.00 7.72 -0.87 -1.14 -4.82 114.94 121.18 3m83 s ASN 301 Ca 0.17 0.62 0.00 0.00 -1.57 0.00 0.00 52.86 52.08 3m83 s ASN 301 Cb 0.12 -2.11 0.00 0.00 -0.02 0.00 0.00 41.25 39.24 3m83 s ASN 301 CO 0.18 0.20 0.00 -3.20 -2.57 0.00 0.00 177.10 171.71 3m83 n ASN 302 N 0.88 0.00 0.17 -1.22 2.85 -1.26 -1.64 115.26 115.04 3m83 n ASN 302 Ca -0.09 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.52 3m83 n ASN 302 Cb 0.52 0.00 0.53 0.00 1.24 0.00 0.00 39.78 42.08 3m83 n ASN 302 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3m83 h HIS 303 N 0.00 0.00 0.00 1.20 2.76 -1.92 -2.02 115.15 115.17 3m83 h HIS 303 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3m83 h HIS 303 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 3m83 h HIS 303 CO 0.00 0.00 -0.01 1.05 -1.30 0.00 0.00 177.93 177.67 3m83 h GLU 304 N 0.00 0.00 0.00 5.26 9.09 -2.00 -3.48 114.58 123.45 3m83 h GLU 304 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m83 h GLU 304 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 3m83 h GLU 304 CO 0.00 0.01 0.00 0.41 0.05 0.00 0.00 179.01 179.48 3m83 n GLY 305 N -1.05 2.90 0.03 1.06 0.00 -0.76 -2.55 105.19 104.82 3m83 n GLY 305 Ca -0.03 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.79 3m83 n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m83 n GLY 306 N 0.00 -1.27 7.00 -0.02 0.00 -1.26 -4.79 105.19 104.84 3m83 n GLY 306 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3m83 n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m83 n GLY 307 N 1.43 2.94 0.23 -0.02 0.00 -1.06 -1.75 105.19 106.97 3m83 n GLY 307 Ca 0.09 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.08 3m83 n GLY 307 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m83 h SER 308 N 1.79 0.00 -0.61 1.61 0.02 -1.95 -2.16 113.55 112.25 3m83 h SER 308 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3m83 h SER 308 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3m83 h SER 308 CO 0.00 0.20 0.31 -0.26 -1.14 0.00 0.00 176.83 175.94 3m83 h PHE 309 N 0.00 0.87 -0.16 3.45 -1.00 -1.77 -2.89 116.94 115.44 3m83 h PHE 309 Ca -0.00 -0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.63 3m83 h PHE 309 Cb 0.60 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 3m83 h PHE 309 CO 0.00 0.65 -0.39 0.37 -1.61 0.00 0.00 178.31 177.33 3m83 h GLN 310 N 0.84 0.35 -0.71 1.51 5.75 -1.08 -2.59 115.11 119.18 3m83 h GLN 310 Ca 0.21 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.59 3m83 h GLN 310 Cb 0.09 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 3m83 h GLN 310 CO -0.03 0.69 0.43 0.00 -2.65 0.00 0.00 178.83 177.27 3m83 h ALA 311 N 1.30 0.93 -0.56 3.38 0.00 -1.38 -0.11 119.26 122.81 3m83 h ALA 311 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3m83 h ALA 311 Cb 0.82 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3m83 h ALA 311 CO 0.07 0.19 0.29 0.28 0.00 0.00 0.00 179.25 180.07 3m83 h VAL 312 N 0.83 1.19 -0.75 0.00 2.07 -1.32 -2.04 116.25 116.24 3m83 h VAL 312 Ca 0.29 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.34 3m83 h VAL 312 Cb 0.07 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3m83 h VAL 312 CO -0.13 0.21 0.49 -0.33 0.02 0.00 0.00 177.57 177.84 3m83 h GLU 313 N 0.76 0.87 -0.18 1.57 4.39 -0.97 -2.31 114.58 118.71 3m83 h GLU 313 Ca 0.20 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 3m83 h GLU 313 Cb 0.07 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3m83 h GLU 313 CO -0.03 0.57 -0.20 1.96 -1.16 0.00 0.00 179.01 180.16 3m83 h GLN 314 N 0.89 0.45 -0.40 2.33 4.20 -0.62 -1.05 115.11 120.91 3m83 h GLN 314 Ca 0.30 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3m83 h GLN 314 Cb 0.09 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3m83 h GLN 314 CO -0.09 0.82 0.26 0.28 -0.67 0.00 0.00 178.83 179.43 3m83 h VAL 315 N 0.10 1.08 -0.63 -0.54 2.07 -1.17 -1.63 116.25 115.53 3m83 h VAL 315 Ca 0.03 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3m83 h VAL 315 Cb 0.75 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3m83 h VAL 315 CO 0.05 0.09 0.03 0.11 0.02 0.00 0.00 177.57 177.88 3m83 h LYS 316 N 0.52 1.09 -0.24 1.57 1.57 -1.43 -2.06 116.57 117.60 3m83 h LYS 316 Ca 0.15 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3m83 h LYS 316 Cb -0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3m83 h LYS 316 CO -0.05 1.04 0.12 0.35 -0.57 0.00 0.00 179.45 180.34 3m83 h PHE 317 N 1.00 0.23 -0.26 -1.35 3.57 -0.98 -2.39 116.94 116.76 3m83 h PHE 317 Ca 0.18 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.52 3m83 h PHE 317 Cb 0.52 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 3m83 h PHE 317 CO 0.04 0.13 -0.54 -0.07 -2.23 0.00 0.00 178.31 175.64 3m83 h LEU 318 N 0.26 0.85 -0.16 0.59 3.38 -1.24 -1.28 115.31 117.72 3m83 h LEU 318 Ca 0.10 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.62 3m83 h LEU 318 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3m83 h LEU 318 CO -0.06 1.22 0.07 0.50 0.09 0.00 0.00 178.44 180.26 3m83 h LYS 319 N 0.59 0.16 -0.40 1.13 3.64 -1.32 -1.26 116.57 119.12 3m83 h LYS 319 Ca 0.02 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3m83 h LYS 319 Cb 1.12 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3m83 h LYS 319 CO 0.11 0.10 0.18 -0.22 -2.27 0.00 0.00 179.45 177.36 3m83 h LYS 320 N 0.16 0.58 -0.24 1.90 3.64 -1.36 -2.44 116.57 118.82 3m83 h LYS 320 Ca 0.06 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3m83 h LYS 320 Cb 0.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3m83 h LYS 320 CO -0.04 0.53 0.10 1.25 -2.27 0.00 0.00 179.45 179.02 3m83 h LEU 321 N 0.50 0.14 -0.28 5.20 5.85 -1.00 -2.83 115.31 122.89 3m83 h LEU 321 Ca 0.14 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3m83 h LEU 321 Cb 0.15 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3m83 h LEU 321 CO -0.01 0.11 -0.07 0.49 -0.34 0.00 0.00 178.44 178.62 3m83 n PHE 322 N -5.01 0.00 0.65 1.25 3.72 -0.49 -1.78 117.46 115.80 3m83 n PHE 322 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 3m83 n PHE 322 Cb 0.07 -0.13 0.46 0.00 -0.94 0.00 0.00 39.48 38.94 3m83 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3m83 n GLU 323 N -0.82 0.17 -0.22 -1.08 1.02 -0.92 -5.08 120.64 113.71 3m83 n GLU 323 Ca 0.17 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3m83 n GLU 323 Cb 0.26 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 3m83 n GLU 323 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67