#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 4.34 0.34 -1.40 1.75 -1.26 -5.08 119.30 117.98 3m83 s MET 1 Ca 0.00 0.81 -0.28 0.00 -1.25 0.00 0.00 55.69 54.98 3m83 s MET 1 Cb 0.00 -3.32 -0.09 0.00 2.84 0.00 0.00 34.83 34.25 3m83 s MET 1 CO 0.00 0.42 1.18 0.00 -0.65 0.00 0.00 175.02 175.97 3m83 s ALA 2 N -0.39 3.34 0.31 4.11 0.00 -1.26 -4.99 121.76 122.88 3m83 s ALA 2 Ca 0.32 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 3m83 s ALA 2 Cb -0.19 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 3m83 s ALA 2 CO 0.19 -0.43 1.45 0.34 0.00 0.00 0.00 175.76 177.31 3m83 n PHE 3 N 0.66 2.59 -3.70 0.00 7.35 -1.26 -5.02 117.46 118.08 3m83 n PHE 3 Ca 0.01 0.41 -0.13 0.00 -0.76 0.00 0.00 57.45 56.98 3m83 n PHE 3 Cb 0.45 -2.51 -0.09 0.00 0.35 0.00 0.00 39.48 37.68 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 -0.55 -0.55 0.00 -5.13 -0.71 -1.26 -4.94 117.98 104.85 3m83 s PHE 4 Ca 0.60 1.32 0.00 0.00 -1.04 0.00 0.00 56.93 57.81 3m83 s PHE 4 Cb -0.54 0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.46 3m83 s PHE 4 CO 0.56 -0.27 0.00 -3.47 -1.34 0.00 0.00 175.22 170.69 3m83 n ASP 5 N 2.75 1.39 -4.60 1.98 -0.08 -1.26 -5.09 116.55 111.64 3m83 n ASP 5 Ca -0.14 -0.62 -0.40 0.00 -1.51 0.00 0.00 54.79 52.13 3m83 n ASP 5 Cb 0.57 0.00 0.03 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 2.88 -4.70 -2.67 4.77 -1.26 -4.95 117.00 111.07 3m83 n LEU 6 Ca 0.00 0.92 -0.36 0.00 -0.03 0.00 0.00 56.01 56.54 3m83 n LEU 6 Cb 0.00 -1.35 0.08 0.00 -2.33 0.00 0.00 43.42 39.82 3m83 n LEU 6 CO 0.00 -1.75 0.81 -2.65 -1.33 0.00 0.00 177.39 172.47 3m83 n PRO 7 N -0.30 0.86 -0.27 3.23 -0.02 -1.26 -4.65 135.00 132.59 3m83 n PRO 7 Ca 0.11 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 3m83 n PRO 7 Cb 0.43 -2.45 0.20 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.17 0.38 -1.35 2.45 5.85 -1.99 0.21 115.31 121.04 3m83 h LEU 8 Ca -0.50 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3m83 h LEU 8 Cb 1.33 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 3m83 h LEU 8 CO 0.51 0.16 0.45 -0.33 -0.34 0.00 0.00 178.44 178.89 3m83 h GLU 9 N 0.52 0.85 -0.11 1.25 3.07 -2.00 -0.96 114.58 117.20 3m83 h GLU 9 Ca 0.43 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.36 59.02 3m83 h GLU 9 Cb 0.62 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3m83 h GLU 9 CO -0.38 0.57 -0.75 0.93 -1.40 0.00 0.00 179.01 177.98 3m83 h GLU 10 N 0.88 0.70 -0.76 2.33 5.08 -1.47 -3.27 114.58 118.08 3m83 h GLU 10 Ca 0.26 -0.61 0.11 0.00 -1.00 0.00 0.00 59.36 58.13 3m83 h GLU 10 Cb -0.03 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 3m83 h GLU 10 CO -0.06 1.22 0.37 -0.07 -1.00 0.00 0.00 179.01 179.46 3m83 h LEU 11 N 0.39 0.46 -1.34 1.33 3.38 -0.54 -0.97 115.31 118.02 3m83 h LEU 11 Ca -0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3m83 h LEU 11 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3m83 h LEU 11 CO 0.15 0.23 0.00 0.11 0.09 0.00 0.00 178.44 179.03 3m83 h LYS 12 N 0.59 0.00 -0.13 1.13 1.57 -1.24 -2.23 116.57 116.26 3m83 h LYS 12 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3m83 h LYS 12 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3m83 h LYS 12 CO -0.31 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.20 3m83 n LYS 13 N -2.56 1.41 -2.38 3.15 5.02 -0.73 -5.01 118.16 117.06 3m83 n LYS 13 Ca 0.00 -1.44 -0.43 0.00 -2.02 0.00 0.00 58.31 54.43 3m83 n LYS 13 Cb 0.18 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 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 -0.86 2.46 -0.49 2.13 5.04 -0.45 -4.92 117.35 120.26 3m83 s TYR 14 Ca 0.14 0.68 0.06 0.00 -2.44 0.00 0.00 57.07 55.51 3m83 s TYR 14 Cb 0.09 -4.32 0.21 0.00 0.35 0.00 0.00 41.96 38.28 3m83 s TYR 14 CO 0.12 -1.88 0.49 0.54 -1.34 0.00 0.00 175.55 173.48 3m83 n ARG 15 N 8.03 1.01 -1.59 4.97 1.74 -1.26 -4.33 116.66 125.23 3m83 n ARG 15 Ca 0.16 -3.65 -0.33 0.00 -0.77 0.00 0.00 57.85 53.25 3m83 n ARG 15 Cb 0.48 -1.72 0.07 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.01 2.47 0.15 5.56 0.04 -1.26 -4.90 135.00 136.05 3m83 s PRO 16 Ca 0.33 1.56 -0.33 0.00 0.04 0.00 0.00 61.00 62.60 3m83 s PRO 16 Cb 0.09 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.61 3m83 s PRO 16 CO -0.14 -1.54 1.69 -1.91 0.04 0.00 0.00 177.00 175.15 3m83 n GLU 17 N -2.59 2.47 -2.99 4.56 2.13 -1.26 -4.96 120.64 118.01 3m83 n GLU 17 Ca 0.12 0.89 -0.37 0.00 0.66 0.00 0.00 57.16 58.47 3m83 n GLU 17 Cb 0.51 -2.72 -0.06 0.00 0.27 0.00 0.00 31.44 29.44 3m83 n GLU 17 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3m83 s ARG 18 N 1.51 4.38 -0.16 5.31 0.52 -1.26 -5.06 118.95 124.18 3m83 s ARG 18 Ca 0.79 1.04 0.01 0.00 -0.52 0.00 0.00 55.73 57.04 3m83 s ARG 18 Cb -0.59 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.03 3m83 s ARG 18 CO 0.37 0.37 -0.16 -0.47 0.02 0.00 0.00 175.30 175.43 3m83 s TYR 19 N -1.53 2.38 0.09 -0.53 5.04 -1.26 -5.12 117.35 116.42 3m83 s TYR 19 Ca 0.45 -1.38 -0.09 0.00 -2.44 0.00 0.00 57.07 53.60 3m83 s TYR 19 Cb -0.18 -1.70 0.00 0.00 0.35 0.00 0.00 41.96 40.43 3m83 s TYR 19 CO 0.22 -0.72 0.21 -1.83 -1.34 0.00 0.00 175.55 172.09 3m83 s GLU 20 N 1.42 0.85 0.67 4.97 -1.05 -1.26 -4.81 118.70 119.48 3m83 s GLU 20 Ca 0.05 -0.90 -0.11 0.00 -0.15 0.00 0.00 54.97 53.85 3m83 s GLU 20 Cb -0.13 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 3m83 s GLU 20 CO -0.11 -0.28 1.05 -1.21 0.95 0.00 0.00 175.26 175.66 3m83 s GLU 21 N -3.74 3.19 0.50 -4.83 0.41 -1.26 -4.96 118.70 108.01 3m83 s GLU 21 Ca 0.04 0.82 0.26 0.00 -0.41 0.00 0.00 54.97 55.68 3m83 s GLU 21 Cb 0.04 -2.03 1.32 0.00 -1.78 0.00 0.00 34.13 31.69 3m83 s GLU 21 CO -0.10 -0.88 2.02 0.87 -0.49 0.00 0.00 175.26 176.67 3m83 h LYS 22 N -0.55 0.00 -0.68 1.61 1.57 -2.04 -2.66 116.57 113.83 3m83 h LYS 22 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3m83 h LYS 22 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3m83 h LYS 22 CO 0.60 0.15 0.00 -0.40 -0.57 0.00 0.00 179.45 179.23 3m83 n ASP 23 N -3.62 4.56 -0.01 0.86 5.75 -1.26 -4.63 116.55 118.20 3m83 n ASP 23 Ca -0.01 -2.69 -0.09 0.00 -0.01 0.00 0.00 54.79 51.99 3m83 n ASP 23 Cb 0.28 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 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 3.04 -0.58 -0.45 2.11 3.04 -1.86 0.23 116.94 122.47 3m83 h PHE 24 Ca 0.00 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 3m83 h PHE 24 Cb 1.60 0.28 -0.02 0.00 2.56 0.00 0.00 35.95 40.38 3m83 h PHE 24 CO 0.82 -0.30 -0.01 -0.44 -2.02 0.00 0.00 178.31 176.37 3m83 h ASP 25 N -0.27 0.78 -0.66 0.41 3.32 -1.87 -2.63 116.42 115.51 3m83 h ASP 25 Ca 0.11 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 3m83 h ASP 25 Cb 0.43 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3m83 h ASP 25 CO -0.31 0.90 0.31 -0.33 -1.72 0.00 0.00 179.24 178.10 3m83 h GLU 26 N 0.64 0.96 -0.40 3.56 3.07 -1.81 0.50 114.58 121.09 3m83 h GLU 26 Ca 0.13 -0.14 0.08 0.00 -0.50 0.00 0.00 59.36 58.92 3m83 h GLU 26 Cb 0.51 -0.17 -0.08 0.00 -0.84 0.00 0.00 28.75 28.17 3m83 h GLU 26 CO 0.02 0.76 -0.12 0.35 -1.40 0.00 0.00 179.01 178.62 3m83 h PHE 27 N 0.92 -0.28 -0.20 4.33 3.57 -0.38 -1.18 116.94 123.72 3m83 h PHE 27 Ca 0.23 0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.58 3m83 h PHE 27 Cb 0.13 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 3m83 h PHE 27 CO 0.00 -0.20 -0.62 -1.49 -2.23 0.00 0.00 178.31 173.77 3m83 h TRP 28 N -0.03 0.88 -0.18 0.41 4.06 -1.10 -1.26 115.95 118.73 3m83 h TRP 28 Ca 0.20 -0.34 0.00 0.00 2.06 0.00 0.00 58.89 60.81 3m83 h TRP 28 Cb 0.33 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 3m83 h TRP 28 CO -0.38 1.13 0.12 0.93 -3.56 0.00 0.00 178.44 176.68 3m83 h GLU 29 N 0.51 0.24 -0.47 0.49 5.08 -0.81 -0.39 114.58 119.24 3m83 h GLU 29 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3m83 h GLU 29 Cb 1.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3m83 h GLU 29 CO 0.12 0.16 0.17 0.93 -1.00 0.00 0.00 179.01 179.40 3m83 h GLU 30 N 0.24 0.71 -0.23 2.33 5.08 -1.24 -0.20 114.58 121.28 3m83 h GLU 30 Ca 0.07 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3m83 h GLU 30 Cb -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3m83 h GLU 30 CO -0.01 0.65 0.04 1.15 -1.00 0.00 0.00 179.01 179.83 3m83 h THR 31 N 0.61 0.89 -0.26 1.13 2.02 -1.04 -0.38 112.91 115.87 3m83 h THR 31 Ca 0.15 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 67.21 3m83 h THR 31 Cb 0.22 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3m83 h THR 31 CO -0.01 0.02 -0.15 -0.07 0.37 0.00 0.00 175.52 175.68 3m83 h LEU 32 N 0.12 0.59 -0.63 2.58 3.38 -0.95 -2.67 115.31 117.74 3m83 h LEU 32 Ca 0.10 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.71 3m83 h LEU 32 Cb 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3m83 h LEU 32 CO -0.14 0.89 0.33 0.00 0.09 0.00 0.00 178.44 179.60 3m83 h ALA 33 N 0.72 0.83 -0.71 1.53 0.00 -0.91 -0.16 119.26 120.57 3m83 h ALA 33 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3m83 h ALA 33 Cb 0.67 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3m83 h ALA 33 CO 0.04 -0.01 0.30 0.93 0.00 0.00 0.00 179.25 180.52 3m83 h GLU 34 N 0.62 1.03 0.00 0.00 5.08 -1.00 -2.73 114.58 117.58 3m83 h GLU 34 Ca 0.28 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 3m83 h GLU 34 Cb 0.20 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3m83 h GLU 34 CO -0.19 0.82 -0.61 0.77 -1.00 0.00 0.00 179.01 178.80 3m83 h SER 35 N 1.02 0.00 0.86 1.42 0.02 -1.07 -3.15 113.55 112.66 3m83 h SER 35 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3m83 h SER 35 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3m83 h SER 35 CO -0.02 0.61 0.00 -0.33 -1.14 0.00 0.00 176.83 175.95 3m83 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 -0.73 -2.94 114.58 119.44 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 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3m83 h GLU 36 CO 0.08 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 3m83 n LYS 37 N -2.75 0.15 -3.91 2.33 5.02 -1.14 -4.61 118.16 113.26 3m83 n LYS 37 Ca 0.01 0.42 -0.35 0.00 -2.02 0.00 0.00 58.31 56.37 3m83 n LYS 37 Cb 0.27 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.42 3m83 n LYS 37 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3m83 s PHE 38 N -3.28 3.56 0.33 2.13 0.40 -1.11 -5.08 117.98 114.93 3m83 s PHE 38 Ca 0.04 0.41 -0.28 0.00 -0.60 0.00 0.00 56.93 56.49 3m83 s PHE 38 Cb 0.09 -1.86 -0.10 0.00 0.51 0.00 0.00 43.02 41.66 3m83 s PHE 38 CO 0.34 0.67 1.24 -1.25 0.70 0.00 0.00 175.22 176.93 3m83 s PRO 39 N -1.63 4.39 0.25 0.24 0.04 -1.26 -4.92 135.00 132.11 3m83 s PRO 39 Ca 0.23 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.29 3m83 s PRO 39 Cb -0.12 -3.05 0.27 0.00 0.04 0.00 0.00 34.50 31.63 3m83 s PRO 39 CO 0.14 -0.11 1.92 1.25 0.04 0.00 0.00 177.00 180.24 3m83 h LEU 40 N 3.39 1.12 -3.50 -3.56 5.85 -1.91 -3.42 115.31 113.28 3m83 h LEU 40 Ca -0.48 -0.02 -0.56 0.00 0.84 0.00 0.00 57.88 57.65 3m83 h LEU 40 Cb 1.22 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3m83 h LEU 40 CO 0.65 0.80 -0.99 -0.67 -0.34 0.00 0.00 178.44 177.89 3m83 n ASP 41 N -4.41 -3.69 -4.73 1.25 2.03 -1.26 -1.13 116.55 104.60 3m83 n ASP 41 Ca 0.12 -1.23 -0.41 0.00 0.52 0.00 0.00 54.79 53.79 3m83 n ASP 41 Cb 0.03 -2.09 -0.03 0.00 -0.72 0.00 0.00 41.12 38.32 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 -7.10 4.43 -0.12 -0.67 0.04 -1.26 -4.54 135.00 125.80 3m83 s PRO 42 Ca 0.42 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.43 3m83 s PRO 42 Cb -0.21 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.11 3m83 s PRO 42 CO 0.95 -0.19 -0.16 0.08 0.04 0.00 0.00 177.00 177.72 3m83 s VAL 43 N 0.18 1.57 -0.23 -0.36 1.01 0.25 -5.01 120.40 117.81 3m83 s VAL 43 Ca 0.56 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3m83 s VAL 43 Cb -0.34 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.63 3m83 s VAL 43 CO 0.36 0.46 -0.11 -0.36 0.00 0.00 0.00 175.10 175.45 3m83 s PHE 44 N 1.02 3.02 -0.19 5.22 0.08 -1.26 -1.53 117.98 124.35 3m83 s PHE 44 Ca -0.05 -1.72 0.01 0.00 0.12 0.00 0.00 56.93 55.28 3m83 s PHE 44 Cb -0.15 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 3m83 s PHE 44 CO -0.03 -0.78 -0.18 -2.00 -0.10 0.00 0.00 175.22 172.14 3m83 s GLU 45 N 1.27 2.98 0.30 0.44 2.12 0.19 -4.94 118.70 121.06 3m83 s GLU 45 Ca -0.00 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.19 3m83 s GLU 45 Cb -0.16 -2.63 -0.10 0.00 0.26 0.00 0.00 34.13 31.49 3m83 s GLU 45 CO -0.07 -0.23 1.42 0.50 -0.54 0.00 0.00 175.26 176.34 3m83 s ARG 46 N 1.30 4.25 -0.00 4.30 3.52 -1.26 -0.12 118.95 130.94 3m83 s ARG 46 Ca 0.04 2.34 0.01 0.00 -0.13 0.00 0.00 55.73 58.00 3m83 s ARG 46 Cb -0.14 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 3m83 s ARG 46 CO -0.12 -0.39 0.00 -1.64 -0.81 0.00 0.00 175.30 172.35 3m83 s MET 47 N -1.07 2.80 0.09 5.12 -1.94 -0.54 -4.85 119.30 118.92 3m83 s MET 47 Ca 0.56 -0.60 -0.31 0.00 -1.71 0.00 0.00 55.69 53.63 3m83 s MET 47 Cb -0.42 -2.68 -0.08 0.00 2.01 0.00 0.00 34.83 33.66 3m83 s MET 47 CO 0.50 0.63 1.48 -1.21 -0.01 0.00 0.00 175.02 176.40 3m83 s GLU 48 N -1.55 4.27 0.06 2.03 0.41 -1.26 -4.74 118.70 117.91 3m83 s GLU 48 Ca 0.20 2.16 -0.11 0.00 -0.41 0.00 0.00 54.97 56.80 3m83 s GLU 48 Cb -0.12 -3.36 0.01 0.00 -1.78 0.00 0.00 34.13 28.88 3m83 s GLU 48 CO 0.10 -0.55 0.25 0.45 -0.49 0.00 0.00 175.26 175.01 3m83 s SER 49 N 1.52 -0.02 0.00 -0.19 0.15 -1.26 -5.03 113.70 108.87 3m83 s SER 49 Ca 0.67 -0.36 0.28 0.00 0.70 0.00 0.00 55.95 57.24 3m83 s SER 49 Cb -0.38 0.34 1.04 0.00 -1.71 0.00 0.00 66.02 65.31 3m83 s SER 49 CO 0.30 -0.63 1.78 1.41 1.20 0.00 0.00 173.24 177.30 3m83 n HIS 50 N 0.43 0.00 -1.89 3.44 8.25 -1.26 -4.90 115.22 119.29 3m83 n HIS 50 Ca -0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.87 3m83 n HIS 50 Cb 0.60 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 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 4.35 -0.07 2.41 1.43 -1.26 -4.95 118.68 117.66 3m83 s LEU 51 Ca 0.15 2.92 0.06 0.00 -1.03 0.00 0.00 54.13 56.23 3m83 s LEU 51 Cb 0.19 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 3m83 s LEU 51 CO 0.57 -0.78 0.02 0.29 0.23 0.00 0.00 176.35 176.68 3m83 n LYS 52 N 0.89 2.85 0.00 1.70 4.76 -1.26 -4.66 118.16 122.45 3m83 n LYS 52 Ca 0.02 -0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.58 3m83 n LYS 52 Cb 0.40 -1.18 0.20 0.00 -1.84 0.00 0.00 35.03 32.61 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 -2.26 0.00 -3.90 -0.18 -2.24 -1.26 -4.92 114.28 99.52 3m83 n THR 53 Ca -0.11 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 3m83 n THR 53 Cb 0.73 0.86 -0.12 0.00 -2.10 0.00 0.00 70.33 69.70 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 -2.41 0.04 -0.17 2.28 1.01 -1.26 -1.00 120.40 118.88 3m83 s VAL 54 Ca 0.23 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3m83 s VAL 54 Cb 0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.37 3m83 s VAL 54 CO 0.51 -0.19 0.23 -1.61 0.00 0.00 0.00 175.10 174.04 3m83 s GLU 55 N -0.56 4.18 -0.13 2.72 2.02 0.90 -4.81 118.70 123.02 3m83 s GLU 55 Ca -0.06 -0.03 -0.03 0.00 0.02 0.00 0.00 54.97 54.87 3m83 s GLU 55 Cb -0.04 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 3m83 s GLU 55 CO -0.00 0.30 -0.02 0.00 0.02 0.00 0.00 175.26 175.56 3m83 s ALA 56 N 0.32 3.13 -0.07 5.21 0.00 -1.26 -0.58 121.76 128.50 3m83 s ALA 56 Ca 0.13 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.33 3m83 s ALA 56 Cb -0.12 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.45 3m83 s ALA 56 CO 0.02 0.35 -0.23 0.71 0.00 0.00 0.00 175.76 176.61 3m83 s TYR 57 N -0.11 2.34 -0.01 0.00 1.51 0.45 -1.47 117.35 120.05 3m83 s TYR 57 Ca 0.03 -0.82 -0.30 0.00 -1.01 0.00 0.00 57.07 54.97 3m83 s TYR 57 Cb -0.13 -1.56 -0.05 0.00 -0.11 0.00 0.00 41.96 40.12 3m83 s TYR 57 CO 0.02 -0.30 1.36 0.34 -1.11 0.00 0.00 175.55 175.87 3m83 s ASP 58 N 0.13 6.89 -0.09 2.29 -1.08 0.83 -1.40 116.67 124.24 3m83 s ASP 58 Ca -0.11 2.05 -0.01 0.00 -0.52 0.00 0.00 52.55 53.97 3m83 s ASP 58 Cb -0.15 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.72 3m83 s ASP 58 CO 0.06 -0.70 -0.05 -0.69 0.52 0.00 0.00 175.17 174.32 3m83 s VAL 59 N 2.39 3.89 -0.03 1.11 1.01 -0.64 -0.64 120.40 127.50 3m83 s VAL 59 Ca 0.62 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3m83 s VAL 59 Cb -0.30 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3m83 s VAL 59 CO 0.25 0.58 -0.05 -0.89 0.00 0.00 0.00 175.10 175.00 3m83 s THR 60 N -0.64 0.50 0.15 3.92 2.01 -0.58 -1.72 115.64 119.28 3m83 s THR 60 Ca 0.10 -0.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 3m83 s THR 60 Cb -0.12 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 3m83 s THR 60 CO 0.02 0.19 0.24 0.72 -0.69 0.00 0.00 174.62 175.10 3m83 s PHE 61 N 0.52 0.40 -0.21 4.92 -0.71 -0.74 -0.58 117.98 121.57 3m83 s PHE 61 Ca -0.07 -0.78 -0.18 0.00 -1.04 0.00 0.00 56.93 54.86 3m83 s PHE 61 Cb -0.10 -0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 3m83 s PHE 61 CO -0.00 -0.66 0.52 -1.12 -1.34 0.00 0.00 175.22 172.62 3m83 s SER 62 N -2.96 6.55 0.00 1.98 0.01 -0.29 -0.39 113.70 118.60 3m83 s SER 62 Ca 0.16 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.08 3m83 s SER 62 Cb 0.04 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3m83 s SER 62 CO -0.02 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.04 3m83 n GLY 63 N 3.95 0.62 3.69 3.44 0.00 0.58 -4.80 105.19 112.66 3m83 n GLY 63 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 3.29 2.15 -1.60 1.61 5.04 -1.26 -3.37 117.35 123.21 3m83 s TYR 64 Ca 0.00 0.05 -0.09 0.00 -2.44 0.00 0.00 57.07 54.59 3m83 s TYR 64 Cb 0.00 -4.11 0.08 0.00 0.35 0.00 0.00 41.96 38.28 3m83 s TYR 64 CO 0.00 -4.58 0.48 0.54 -1.34 0.00 0.00 175.55 170.64 3m83 n ARG 65 N 5.85 -2.43 -0.97 4.97 1.74 -1.26 -1.22 116.66 123.34 3m83 n ARG 65 Ca 0.17 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 3m83 n ARG 65 Cb 0.39 -4.54 0.00 0.00 -1.02 0.00 0.00 32.46 27.29 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 -1.80 0.57 3.75 -0.13 0.00 -1.22 -4.99 105.19 101.37 3m83 n GLY 66 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.27 4.69 -0.33 1.61 -0.21 -0.36 -4.64 119.66 120.15 3m83 s GLN 67 Ca 0.00 1.68 -0.21 0.00 0.02 0.00 0.00 55.36 56.85 3m83 s GLN 67 Cb 0.00 -3.24 -0.00 0.00 1.00 0.00 0.00 33.01 30.76 3m83 s GLN 67 CO 0.00 0.26 0.69 1.03 -2.12 0.00 0.00 175.29 175.15 3m83 s ARG 68 N -1.04 3.83 -0.11 2.91 1.81 -1.26 -0.31 118.95 124.78 3m83 s ARG 68 Ca 0.45 0.30 -0.04 0.00 -1.72 0.00 0.00 55.73 54.72 3m83 s ARG 68 Cb -0.29 -3.76 -0.04 0.00 -0.45 0.00 0.00 34.95 30.41 3m83 s ARG 68 CO 0.37 -0.68 0.03 0.42 -0.68 0.00 0.00 175.30 174.75 3m83 s ILE 69 N 2.79 4.57 0.51 1.52 -1.09 0.47 -4.84 121.20 125.13 3m83 s ILE 69 Ca 0.27 -0.14 -0.04 0.00 -2.23 0.00 0.00 60.65 58.52 3m83 s ILE 69 Cb -0.14 -2.96 -0.01 0.00 -1.58 0.00 0.00 42.46 37.76 3m83 s ILE 69 CO 0.14 0.58 0.79 -0.54 -1.23 0.00 0.00 174.94 174.68 3m83 s LYS 70 N -0.63 3.20 0.21 2.79 -0.14 -1.26 -1.80 119.74 122.11 3m83 s LYS 70 Ca 0.11 -0.06 -0.22 0.00 -1.36 0.00 0.00 55.97 54.45 3m83 s LYS 70 Cb -0.12 -2.39 0.07 0.00 -1.68 0.00 0.00 37.83 33.71 3m83 s LYS 70 CO 0.02 -0.39 1.00 0.20 -0.76 0.00 0.00 175.35 175.43 3m83 s GLY 71 N -4.20 0.12 0.05 -3.33 0.00 -0.70 -1.52 107.32 97.73 3m83 s GLY 71 Ca 0.50 -0.35 0.08 0.00 0.00 0.00 0.00 44.72 44.95 3m83 s GLY 71 CO 0.43 1.89 -0.22 -0.98 0.00 0.00 0.00 173.10 174.21 3m83 s TRP 72 N -2.28 1.96 -0.14 1.90 0.23 -0.54 -1.62 118.94 118.45 3m83 s TRP 72 Ca 0.20 -0.39 0.02 0.00 -2.03 0.00 0.00 56.10 53.90 3m83 s TRP 72 Cb -0.03 -1.17 0.01 0.00 0.03 0.00 0.00 33.47 32.32 3m83 s TRP 72 CO 0.06 0.11 -0.20 -1.17 0.96 0.00 0.00 176.95 176.71 3m83 s LEU 73 N -1.25 2.00 -0.21 2.99 2.96 -0.49 -0.68 118.68 124.00 3m83 s LEU 73 Ca 0.09 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.40 3m83 s LEU 73 Cb -0.09 -1.36 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 3m83 s LEU 73 CO 0.02 0.04 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.26 3m83 s LEU 74 N 1.01 2.82 -0.23 -0.68 2.01 -0.10 -0.41 118.68 123.09 3m83 s LEU 74 Ca -0.03 -0.40 -0.01 0.00 0.01 0.00 0.00 54.13 53.70 3m83 s LEU 74 Cb -0.15 -1.70 0.03 0.00 0.01 0.00 0.00 46.19 44.38 3m83 s LEU 74 CO -0.05 0.01 -0.09 -0.69 1.01 0.00 0.00 176.35 176.53 3m83 s VAL 75 N 1.31 2.66 0.37 -1.59 1.01 0.25 -1.24 120.40 123.18 3m83 s VAL 75 Ca 0.04 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 3m83 s VAL 75 Cb -0.14 -2.32 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 3m83 s VAL 75 CO -0.03 0.26 1.17 -2.16 0.00 0.00 0.00 175.10 174.34 3m83 s PRO 76 N 1.30 4.18 -0.93 2.72 0.04 -1.26 -0.07 135.00 140.98 3m83 s PRO 76 Ca 0.01 1.87 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 3m83 s PRO 76 Cb -0.16 -2.79 0.05 0.00 0.04 0.00 0.00 34.50 31.64 3m83 s PRO 76 CO -0.06 -0.22 1.38 0.15 0.04 0.00 0.00 177.00 178.28 3m83 s LYS 77 N -2.12 3.47 0.13 4.56 1.02 -0.17 -4.87 119.74 121.75 3m83 s LYS 77 Ca 0.54 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.69 3m83 s LYS 77 Cb -0.32 -4.98 -0.04 0.00 -0.52 0.00 0.00 37.83 31.97 3m83 s LYS 77 CO 0.40 -2.16 -0.13 -0.51 -0.92 0.00 0.00 175.35 172.03 3m83 s LEU 78 N 5.06 2.44 0.28 3.17 1.43 -1.26 -5.00 118.68 124.80 3m83 s LEU 78 Ca 0.42 -0.87 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 3m83 s LEU 78 Cb -0.03 -0.51 0.41 0.00 0.03 0.00 0.00 46.19 46.09 3m83 s LEU 78 CO -0.03 -0.19 1.65 -0.33 0.23 0.00 0.00 176.35 177.69 3m83 h GLU 79 N 3.29 0.15 -6.52 1.70 3.07 -2.03 -3.45 114.58 110.78 3m83 h GLU 79 Ca -0.39 -0.08 -0.60 0.00 -0.50 0.00 0.00 59.36 57.79 3m83 h GLU 79 Cb 1.20 0.01 0.09 0.00 -0.84 0.00 0.00 28.75 29.20 3m83 h GLU 79 CO 0.54 0.63 0.48 -1.91 -1.40 0.00 0.00 179.01 177.35 3m83 n GLU 80 N -3.94 1.76 0.04 2.33 2.13 -1.26 -4.92 120.64 116.79 3m83 n GLU 80 Ca -0.02 0.63 -0.10 0.00 0.66 0.00 0.00 57.16 58.33 3m83 n GLU 80 Cb 0.54 -2.22 -0.13 0.00 0.27 0.00 0.00 31.44 29.91 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 3.72 0.06 -5.01 5.31 3.07 -1.94 -3.43 114.58 116.37 3m83 h GLU 81 Ca -0.44 -0.11 -0.63 0.00 -0.50 0.00 0.00 59.36 57.68 3m83 h GLU 81 Cb 1.30 0.04 -0.34 0.00 -0.84 0.00 0.00 28.75 28.91 3m83 h GLU 81 CO 0.72 0.88 -0.86 0.15 -1.40 0.00 0.00 179.01 178.51 3m83 s LYS 82 N -2.65 2.65 0.19 2.33 -0.14 -1.26 -4.60 119.74 116.26 3m83 s LYS 82 Ca -0.03 -0.72 0.11 0.00 -1.36 0.00 0.00 55.97 53.96 3m83 s LYS 82 Cb 0.09 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 3m83 s LYS 82 CO 0.83 -0.02 -0.20 -0.51 -0.76 0.00 0.00 175.35 174.70 3m83 s LEU 83 N 0.84 2.59 0.73 3.17 1.43 0.45 -4.75 118.68 123.14 3m83 s LEU 83 Ca -0.08 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 3m83 s LEU 83 Cb -0.15 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.77 3m83 s LEU 83 CO -0.01 0.12 1.08 -2.16 0.23 0.00 0.00 176.35 175.61 3m83 s PRO 84 N -2.68 2.65 -0.02 1.29 0.04 -1.26 -0.23 135.00 134.79 3m83 s PRO 84 Ca 0.22 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3m83 s PRO 84 Cb -0.08 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.50 3m83 s PRO 84 CO 0.11 -1.25 0.00 0.00 0.04 0.00 0.00 177.00 175.90 3m83 s VAL 86 N 0.63 4.30 -0.38 0.00 1.01 0.43 0.08 120.40 126.47 3m83 s VAL 86 Ca -0.06 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3m83 s VAL 86 Cb -0.08 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3m83 s VAL 86 CO -0.01 0.37 0.68 -0.69 0.00 0.00 0.00 175.10 175.45 3m83 s VAL 87 N 1.36 4.82 -0.28 2.92 1.01 0.21 -1.09 120.40 129.35 3m83 s VAL 87 Ca 0.05 0.54 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 3m83 s VAL 87 Cb -0.15 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3m83 s VAL 87 CO 0.03 -0.44 0.15 -1.58 0.00 0.00 0.00 175.10 173.26 3m83 s GLN 88 N 2.88 3.69 0.14 2.72 2.00 0.11 -0.74 119.66 130.44 3m83 s GLN 88 Ca 0.26 -0.48 0.02 0.00 -2.00 0.00 0.00 55.36 53.16 3m83 s GLN 88 Cb -0.14 -3.55 -0.04 0.00 0.80 0.00 0.00 33.01 30.09 3m83 s GLN 88 CO 0.17 -0.26 0.28 0.71 -0.50 0.00 0.00 175.29 175.69 3m83 s TYR 89 N 1.68 3.49 0.08 1.67 2.02 -0.36 -1.88 117.35 124.05 3m83 s TYR 89 Ca 0.06 0.15 0.06 0.00 -0.37 0.00 0.00 57.07 56.97 3m83 s TYR 89 Cb -0.16 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 3m83 s TYR 89 CO 0.08 0.52 -0.09 0.42 -1.57 0.00 0.00 175.55 174.90 3m83 s ILE 90 N -1.72 3.43 0.87 2.71 1.01 -1.26 -4.50 121.20 121.74 3m83 s ILE 90 Ca 0.35 -1.15 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 3m83 s ILE 90 Cb -0.11 -2.57 0.11 0.00 0.01 0.00 0.00 42.46 39.90 3m83 s ILE 90 CO 0.28 0.18 1.09 -0.83 0.00 0.00 0.00 174.94 175.67 3m83 s GLY 91 N -2.02 1.62 0.18 6.18 0.00 -1.26 -3.02 107.32 109.00 3m83 s GLY 91 Ca 0.20 -0.12 -0.33 0.00 0.00 0.00 0.00 44.72 44.47 3m83 s GLY 91 CO 0.12 0.36 1.43 2.98 0.00 0.00 0.00 173.10 177.99 3m83 n TYR 92 N -3.77 2.03 -1.15 1.90 9.36 -1.26 -1.71 117.16 122.56 3m83 n TYR 92 Ca 0.07 0.43 -0.05 0.00 3.32 0.00 0.00 57.90 61.67 3m83 n TYR 92 Cb 0.56 -2.45 -0.02 0.00 -0.63 0.00 0.00 39.34 36.79 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 2.63 -4.37 -4.82 2.98 3.02 -1.26 -4.84 115.26 108.59 3m83 n ASN 93 Ca 0.15 0.12 -0.22 0.00 -0.03 0.00 0.00 54.58 54.60 3m83 n ASN 93 Cb 0.28 -2.32 -0.05 0.00 -0.61 0.00 0.00 39.78 37.09 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 -2.43 2.22 0.00 7.41 0.00 -0.70 -0.58 107.32 113.24 3m83 s GLY 94 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 42.74 3m83 s GLY 94 CO 0.00 -1.78 0.00 0.61 0.00 0.00 0.00 173.10 171.93 3m83 n GLY 95 N -1.42 3.15 0.23 0.20 0.00 -0.79 -2.13 105.19 104.43 3m83 n GLY 95 Ca 0.02 -1.33 0.16 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.44 114.38 110.83 3m83 h ARG 96 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3m83 h ARG 96 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3m83 h ARG 96 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 3m83 n GLY 97 N -0.37 2.85 3.83 0.08 0.00 0.56 -4.66 105.19 107.48 3m83 n GLY 97 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 3.25 0.38 1.61 0.40 -1.26 -4.96 117.98 117.40 3m83 s PHE 98 Ca 0.00 0.04 0.12 0.00 -0.60 0.00 0.00 56.93 56.50 3m83 s PHE 98 Cb 0.00 -1.58 0.92 0.00 0.51 0.00 0.00 43.02 42.87 3m83 s PHE 98 CO 0.00 0.52 1.86 -1.35 0.70 0.00 0.00 175.22 176.95 3m83 h PRO 99 N 2.54 0.56 0.00 0.24 0.11 -2.00 -0.98 132.00 132.47 3m83 h PRO 99 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m83 h PRO 99 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3m83 h PRO 99 CO 0.66 0.37 0.00 -2.39 -0.21 0.00 0.00 178.00 176.43 3m83 n HIS 100 N -4.56 0.00 1.34 0.65 1.44 -1.26 -2.36 115.22 110.47 3m83 n HIS 100 Ca 0.18 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 56.04 3m83 n HIS 100 Cb 0.57 -0.05 0.71 0.00 0.12 0.00 0.00 29.99 31.33 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 -1.05 0.06 -2.48 4.39 8.00 -0.37 -4.28 116.55 120.83 3m83 n ASP 101 Ca 0.12 -0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.42 3m83 n ASP 101 Cb 0.07 -0.29 0.03 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.29 1.99 1.17 1.24 7.02 -1.00 -4.89 117.44 121.69 3m83 n TRP 102 Ca 0.13 -2.29 0.14 0.00 -1.02 0.00 0.00 57.50 54.46 3m83 n TRP 102 Cb 0.26 -0.28 0.54 0.00 -2.42 0.00 0.00 31.31 29.41 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 -0.59 0.29 0.40 -0.99 4.77 -1.26 -4.34 117.00 115.27 3m83 n LEU 103 Ca 0.24 0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 56.25 3m83 n LEU 103 Cb 0.86 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3m83 n LEU 103 CO 0.23 0.06 0.51 0.15 -1.33 0.00 0.00 177.39 177.02 3m83 h PHE 104 N 0.21 -0.94 -0.26 -1.77 3.57 -1.95 -2.31 116.94 113.50 3m83 h PHE 104 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3m83 h PHE 104 Cb 0.44 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3m83 h PHE 104 CO 0.00 -0.59 0.12 -1.49 -2.23 0.00 0.00 178.31 174.13 3m83 h TRP 105 N -1.04 0.37 -0.98 0.41 4.06 -1.89 -2.22 115.95 114.66 3m83 h TRP 105 Ca -0.10 -0.02 0.17 0.00 2.06 0.00 0.00 58.89 61.00 3m83 h TRP 105 Cb 0.78 -0.11 -0.09 0.00 -1.00 0.00 0.00 29.16 28.73 3m83 h TRP 105 CO 0.05 0.35 0.61 -1.35 -3.56 0.00 0.00 178.44 174.55 3m83 h PRO 106 N 0.28 0.74 0.00 0.49 0.11 -1.59 -1.03 132.00 131.00 3m83 h PRO 106 Ca 0.09 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 3m83 h PRO 106 Cb 0.12 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3m83 h PRO 106 CO -0.01 0.49 -0.21 0.77 -0.21 0.00 0.00 178.00 178.83 3m83 h SER 107 N 0.76 0.00 -0.28 -2.05 0.02 -0.84 -1.21 113.55 109.96 3m83 h SER 107 Ca 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 3m83 h SER 107 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3m83 h SER 107 CO -0.31 0.21 0.00 0.23 -1.14 0.00 0.00 176.83 175.82 3m83 n MET 108 N -3.75 1.75 -0.52 3.45 2.81 -0.59 -4.93 117.12 115.34 3m83 n MET 108 Ca -0.02 -1.16 0.00 0.00 -1.81 0.00 0.00 57.70 54.72 3m83 n MET 108 Cb 0.32 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.06 0.70 3.61 3.03 0.00 -0.46 -5.07 105.19 108.07 3m83 n GLY 109 Ca 0.13 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 3.04 0.33 1.61 1.51 -0.49 -4.46 117.35 116.90 3m83 s TYR 110 Ca 0.00 0.05 -0.29 0.00 -1.01 0.00 0.00 57.07 55.82 3m83 s TYR 110 Cb 0.00 -1.78 -0.11 0.00 -0.11 0.00 0.00 41.96 39.97 3m83 s TYR 110 CO 0.00 0.34 1.41 0.42 -1.11 0.00 0.00 175.55 176.61 3m83 s ILE 111 N -0.67 2.40 -0.17 2.71 1.01 0.50 -2.56 121.20 124.41 3m83 s ILE 111 Ca 0.10 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.15 3m83 s ILE 111 Cb -0.12 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.13 3m83 s ILE 111 CO 0.02 0.09 -0.16 0.00 0.00 0.00 0.00 174.94 174.89 3m83 s PHE 113 N 1.38 3.25 -0.34 0.00 2.19 -0.25 -0.92 117.98 123.28 3m83 s PHE 113 Ca 0.04 -0.79 -0.15 0.00 0.33 0.00 0.00 56.93 56.35 3m83 s PHE 113 Cb -0.14 -2.62 -0.01 0.00 -1.31 0.00 0.00 43.02 38.94 3m83 s PHE 113 CO -0.11 -0.64 0.36 0.08 1.83 0.00 0.00 175.22 176.74 3m83 s VAL 114 N 1.62 5.17 -0.24 3.12 1.01 0.14 0.04 120.40 131.26 3m83 s VAL 114 Ca 0.04 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 3m83 s VAL 114 Cb -0.20 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3m83 s VAL 114 CO 0.08 -0.07 0.69 -0.32 0.00 0.00 0.00 175.10 175.48 3m83 s MET 115 N 2.02 4.15 0.48 2.72 1.75 -0.79 -1.47 119.30 128.16 3m83 s MET 115 Ca 0.12 0.68 -0.24 0.00 -1.25 0.00 0.00 55.69 55.01 3m83 s MET 115 Cb -0.16 -3.64 -0.07 0.00 2.84 0.00 0.00 34.83 33.80 3m83 s MET 115 CO 0.12 -0.42 1.34 0.34 -0.65 0.00 0.00 175.02 175.75 3m83 s ASP 116 N 1.39 5.78 -0.33 1.11 2.15 -0.58 -4.45 116.67 121.75 3m83 s ASP 116 Ca 0.29 2.73 -0.12 0.00 0.43 0.00 0.00 52.55 55.88 3m83 s ASP 116 Cb -0.15 -2.64 -0.02 0.00 -0.30 0.00 0.00 42.92 39.81 3m83 s ASP 116 CO 0.08 -1.22 0.22 -0.89 -0.17 0.00 0.00 175.17 173.19 3m83 s THR 117 N -1.30 5.18 -0.24 1.71 2.01 -1.26 -4.80 115.64 116.94 3m83 s THR 117 Ca 0.64 -0.22 -0.40 0.00 0.31 0.00 0.00 61.69 62.03 3m83 s THR 117 Cb -0.39 -3.64 -0.16 0.00 0.01 0.00 0.00 72.50 68.32 3m83 s THR 117 CO 0.49 0.03 1.71 -2.11 -0.69 0.00 0.00 174.62 174.05 3m83 n ARG 118 N 5.08 1.19 -0.64 4.92 1.85 -1.26 -2.77 116.66 125.03 3m83 n ARG 118 Ca -0.13 0.44 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 3m83 n ARG 118 Cb 0.50 -2.12 0.00 0.00 -1.05 0.00 0.00 32.46 29.79 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 4.05 1.49 0.00 2.89 0.00 0.79 -4.59 105.19 109.81 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 -2.64 1.61 6.02 -1.11 -4.88 117.38 114.37 3m83 n GLN 120 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3m83 n GLN 120 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 -0.51 0.00 1.08 0.00 -0.91 -4.73 105.19 105.12 3m83 n GLY 121 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.16 0.09 -0.09 1.61 7.64 -1.19 -1.62 113.62 117.91 3m83 n SER 122 Ca -0.18 -1.03 -0.14 0.00 1.01 0.00 0.00 58.87 58.53 3m83 n SER 122 Cb 0.65 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.01 -0.45 0.00 0.23 0.00 0.25 -4.92 105.19 100.29 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 -4.25 0.00 -3.72 1.61 4.27 -1.03 -5.04 117.44 109.28 3m83 n TRP 124 Ca -0.24 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.25 3m83 n TRP 124 Cb 0.58 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.42 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 -0.93 0.22 0.52 5.67 2.96 -1.26 -5.03 118.68 120.82 3m83 s LEU 125 Ca 0.00 0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 54.40 3m83 s LEU 125 Cb 0.00 1.09 -0.06 0.00 0.50 0.00 0.00 46.19 47.72 3m83 s LEU 125 CO 0.00 -0.17 1.38 -1.59 -1.32 0.00 0.00 176.35 174.65 3m83 s LYS 126 N 1.17 3.30 0.26 1.98 -2.85 -1.26 -1.88 119.74 120.47 3m83 s LYS 126 Ca -0.08 2.29 0.05 0.00 -1.00 0.00 0.00 55.97 57.23 3m83 s LYS 126 Cb -0.08 -2.37 -0.06 0.00 -2.06 0.00 0.00 37.83 33.26 3m83 s LYS 126 CO -0.09 -1.08 -0.02 0.20 0.10 0.00 0.00 175.35 174.46 3m83 s GLY 127 N -0.82 1.74 0.00 0.59 0.00 -0.64 -0.32 107.32 107.86 3m83 s GLY 127 Ca 0.68 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 43.54 3m83 s GLY 127 CO 0.50 -1.76 0.53 1.22 0.00 0.00 0.00 173.10 173.59 3m83 n ASP 128 N -0.52 0.72 -4.40 1.64 8.00 -1.26 -4.88 116.55 115.84 3m83 n ASP 128 Ca -0.05 -1.27 -0.34 0.00 0.71 0.00 0.00 54.79 53.84 3m83 n ASP 128 Cb 0.64 0.00 -0.13 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 -0.27 3.46 0.65 -3.53 2.01 -1.26 -4.90 115.64 111.79 3m83 s THR 129 Ca 0.00 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 3m83 s THR 129 Cb 0.00 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 3m83 s THR 129 CO 0.00 0.48 1.04 -2.16 -0.69 0.00 0.00 174.62 173.29 3m83 s PRO 130 N 0.67 3.19 0.40 4.92 0.04 -1.26 -0.15 135.00 142.81 3m83 s PRO 130 Ca -0.04 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 61.49 3m83 s PRO 130 Cb -0.15 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3m83 s PRO 130 CO 0.02 -0.78 0.65 0.34 0.04 0.00 0.00 177.00 177.28 3m83 s ASP 131 N -4.27 6.30 -0.32 6.66 2.15 -1.26 -4.03 116.67 121.90 3m83 s ASP 131 Ca 0.56 0.68 -0.02 0.00 0.43 0.00 0.00 52.55 54.20 3m83 s ASP 131 Cb -0.11 -2.13 0.11 0.00 -0.30 0.00 0.00 42.92 40.49 3m83 s ASP 131 CO 0.52 -0.40 0.14 -0.31 -0.17 0.00 0.00 175.17 174.95 3m83 s TYR 132 N -2.47 0.91 0.67 -5.34 1.51 -1.26 -4.94 117.35 106.44 3m83 s TYR 132 Ca 0.44 -1.37 -0.15 0.00 -1.01 0.00 0.00 57.07 54.97 3m83 s TYR 132 Cb -0.10 -1.21 0.01 0.00 -0.11 0.00 0.00 41.96 40.54 3m83 s TYR 132 CO 0.39 -0.84 1.14 -1.25 -1.11 0.00 0.00 175.55 173.88 3m83 s PRO 133 N 1.66 2.64 -1.13 -1.71 0.04 -1.26 -4.93 135.00 130.31 3m83 s PRO 133 Ca 0.11 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 3m83 s PRO 133 Cb -0.18 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3m83 s PRO 133 CO -0.24 -1.40 1.92 0.39 0.04 0.00 0.00 177.00 177.71 3m83 n GLU 134 N -2.40 1.72 0.00 4.56 -0.58 -1.26 -4.89 120.64 117.79 3m83 n GLU 134 Ca 0.11 -2.43 0.00 0.00 -0.42 0.00 0.00 57.16 54.42 3m83 n GLU 134 Cb 0.51 -3.57 0.00 0.00 -0.57 0.00 0.00 31.44 27.81 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 5.53 2.76 3.76 0.62 0.00 -1.26 -4.82 105.19 111.78 3m83 n GLY 135 Ca 0.46 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 3m83 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m83 s PRO 136 N 0.00 4.49 -0.66 1.61 0.04 -1.26 -4.98 135.00 134.24 3m83 s PRO 136 Ca 0.00 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 3m83 s PRO 136 Cb 0.00 -3.15 0.13 0.00 0.04 0.00 0.00 34.50 31.52 3m83 s PRO 136 CO 0.00 -0.02 0.72 0.08 0.04 0.00 0.00 177.00 177.81 3m83 s VAL 137 N -0.89 5.03 0.90 -0.36 1.01 -1.26 -5.02 120.40 119.81 3m83 s VAL 137 Ca 0.48 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 3m83 s VAL 137 Cb -0.36 -4.49 0.12 0.00 0.00 0.00 0.00 36.38 31.66 3m83 s VAL 137 CO 0.45 -1.10 1.06 0.47 0.00 0.00 0.00 175.10 175.98 3m83 n ASP 138 N 5.72 0.13 -4.58 3.32 8.00 -1.26 -4.90 116.55 122.98 3m83 n ASP 138 Ca -0.03 0.44 -0.50 0.00 0.71 0.00 0.00 54.79 55.41 3m83 n ASP 138 Cb 0.43 -1.45 -0.04 0.00 -0.02 0.00 0.00 41.12 40.04 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 -3.74 1.11 -3.79 -0.24 -0.02 -1.26 -4.79 135.00 122.26 3m83 n PRO 139 Ca 0.12 0.40 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 3m83 n PRO 139 Cb 0.52 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 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 -0.23 1.02 0.32 -0.52 -2.07 -1.26 -4.88 119.66 112.03 3m83 s GLN 140 Ca 0.75 -0.91 -0.24 0.00 -1.82 0.00 0.00 55.36 53.15 3m83 s GLN 140 Cb -0.88 0.41 -0.10 0.00 -1.09 0.00 0.00 33.01 31.35 3m83 s GLN 140 CO 0.51 -0.37 0.90 -0.47 -1.32 0.00 0.00 175.29 174.54 3m83 s TYR 141 N -3.86 3.63 -0.10 9.60 5.04 -1.26 -5.00 117.35 125.40 3m83 s TYR 141 Ca 0.07 1.67 -0.40 0.00 -2.44 0.00 0.00 57.07 55.96 3m83 s TYR 141 Cb 0.03 -2.84 -0.18 0.00 0.35 0.00 0.00 41.96 39.31 3m83 s TYR 141 CO -0.09 0.19 1.33 -2.30 -1.34 0.00 0.00 175.55 173.35 3m83 n PRO 142 N 0.41 0.49 0.00 4.97 -0.02 -1.26 -4.71 135.00 134.88 3m83 n PRO 142 Ca 0.02 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3m83 n PRO 142 Cb 0.51 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.60 0.48 0.01 -1.23 0.00 -1.26 -4.89 105.19 100.90 3m83 n GLY 143 Ca 0.22 -2.24 0.07 0.00 0.00 0.00 0.00 46.02 44.07 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 1.35 0.00 0.22 1.61 3.72 -1.26 -4.49 117.46 118.61 3m83 n PHE 144 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 3m83 n PHE 144 Cb 0.00 -0.27 0.52 0.00 -0.94 0.00 0.00 39.48 38.79 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 0.00 -0.17 -1.08 2.86 -1.90 -2.79 114.93 111.84 3m83 h MET 145 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3m83 h MET 145 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3m83 h MET 145 CO 0.00 0.23 0.00 0.25 1.06 0.00 0.00 176.91 178.45 3m83 n THR 146 N -4.01 0.83 -1.95 2.22 -2.24 -1.26 -4.84 114.28 103.03 3m83 n THR 146 Ca -0.02 -0.92 -0.41 0.00 -2.27 0.00 0.00 64.05 60.43 3m83 n THR 146 Cb 0.30 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.92 3.01 -0.27 -0.78 3.52 -1.06 -2.72 118.95 119.72 3m83 s ARG 147 Ca 0.13 1.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 3m83 s ARG 147 Cb 0.07 -4.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 3m83 s ARG 147 CO 0.09 -2.25 0.00 0.41 -0.81 0.00 0.00 175.30 172.74 3m83 n GLY 148 N 5.57 0.58 0.08 8.12 0.00 -1.26 -1.39 105.19 116.89 3m83 n GLY 148 Ca 0.24 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.92 1.11 1.69 -0.61 3.06 -1.10 -2.78 119.36 117.80 3m83 n ILE 149 Ca -0.03 0.37 0.15 0.00 -2.50 0.00 0.00 62.75 60.75 3m83 n ILE 149 Cb 0.09 -1.28 0.84 0.00 0.54 0.00 0.00 39.64 39.83 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 -1.91 0.04 -3.66 9.51 4.77 -1.26 -4.59 117.00 119.91 3m83 n LEU 150 Ca 0.02 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 3m83 n LEU 150 Cb 0.14 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 3m83 n LEU 150 CO 0.13 0.01 0.22 -0.62 -1.33 0.00 0.00 177.39 175.80 3m83 s ASP 151 N -2.30 -0.82 0.51 -1.43 -1.08 -1.14 -4.96 116.67 105.46 3m83 s ASP 151 Ca 0.38 1.34 0.18 0.00 -0.52 0.00 0.00 52.55 53.92 3m83 s ASP 151 Cb 0.21 1.51 1.25 0.00 -1.46 0.00 0.00 42.92 44.43 3m83 s ASP 151 CO 0.42 -0.22 2.08 1.55 0.52 0.00 0.00 175.17 179.52 3m83 h PRO 152 N 7.46 0.08 -0.88 4.34 0.13 -1.84 -1.14 132.00 140.15 3m83 h PRO 152 Ca -0.26 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.94 3m83 h PRO 152 Cb 1.17 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 3m83 h PRO 152 CO 0.16 0.05 0.58 0.00 -0.23 0.00 0.00 178.00 178.56 3m83 h ARG 153 N 0.08 0.94 -0.01 0.86 -0.00 -1.96 -3.01 114.38 111.28 3m83 h ARG 153 Ca 0.11 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 3m83 h ARG 153 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 29.97 30.10 3m83 h ARG 153 CO -0.01 0.62 -0.46 0.25 0.00 0.00 0.00 179.97 180.37 3m83 n THR 154 N -4.50 0.00 -2.14 2.04 -2.24 -0.52 -4.97 114.28 101.95 3m83 n THR 154 Ca 0.14 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 3m83 n THR 154 Cb 0.22 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.49 3.09 0.21 4.78 5.04 -0.68 -4.36 117.35 122.94 3m83 s TYR 155 Ca 0.19 1.41 -0.10 0.00 -2.44 0.00 0.00 57.07 56.13 3m83 s TYR 155 Cb 0.18 -3.65 0.31 0.00 0.35 0.00 0.00 41.96 39.15 3m83 s TYR 155 CO 0.57 -1.80 1.67 -0.92 -1.34 0.00 0.00 175.55 173.73 3m83 h TYR 156 N 3.58 0.03 0.00 4.97 3.20 -1.51 -2.16 116.97 125.09 3m83 h TYR 156 Ca -0.48 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3m83 h TYR 156 Cb 1.22 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.58 3m83 h TYR 156 CO 0.56 -0.13 0.00 0.66 -1.64 0.00 0.00 178.16 177.61 3m83 n TYR 157 N -5.24 0.39 -0.27 -3.82 4.01 -1.26 -1.57 117.16 109.40 3m83 n TYR 157 Ca 0.09 0.14 -0.05 0.00 -0.16 0.00 0.00 57.90 57.93 3m83 n TYR 157 Cb 0.36 -0.73 0.06 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 1.02 -0.11 -0.72 2.43 -1.68 -1.05 114.38 114.28 3m83 h ARG 158 Ca 0.00 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 3m83 h ARG 158 Cb 0.38 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3m83 h ARG 158 CO 0.00 0.74 -0.32 0.00 -1.51 0.00 0.00 179.97 178.87 3m83 h ARG 159 N 1.03 0.41 0.11 0.20 3.08 -1.40 -2.77 114.38 115.04 3m83 h ARG 159 Ca 0.27 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3m83 h ARG 159 Cb -0.02 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3m83 h ARG 159 CO -0.05 0.92 -0.08 0.28 -1.07 0.00 0.00 179.97 179.96 3m83 h VAL 160 N -0.02 0.81 -0.34 2.04 2.07 -1.49 -0.71 116.25 118.63 3m83 h VAL 160 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3m83 h VAL 160 Cb 0.94 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3m83 h VAL 160 CO 0.07 0.00 0.08 -0.26 0.02 0.00 0.00 177.57 177.48 3m83 h PHE 161 N -0.20 0.49 -0.22 1.57 0.04 -1.27 -0.10 116.94 117.24 3m83 h PHE 161 Ca -0.00 -0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.58 3m83 h PHE 161 Cb 0.18 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3m83 h PHE 161 CO -0.10 0.43 -0.47 1.15 -0.60 0.00 0.00 178.31 178.72 3m83 h THR 162 N 0.48 1.31 -0.78 -1.55 2.02 -1.36 -2.16 112.91 110.86 3m83 h THR 162 Ca 0.11 -1.69 0.12 0.00 0.77 0.00 0.00 66.41 65.73 3m83 h THR 162 Cb 0.18 1.81 -0.08 0.00 -1.74 0.00 0.00 68.15 68.32 3m83 h THR 162 CO -0.00 0.53 0.39 0.44 0.37 0.00 0.00 175.52 177.25 3m83 h ASP 163 N 0.43 0.48 -0.08 4.18 3.32 -0.63 -2.24 116.42 121.87 3m83 h ASP 163 Ca 0.00 0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 3m83 h ASP 163 Cb 1.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3m83 h ASP 163 CO 0.10 0.24 -0.41 0.00 -1.72 0.00 0.00 179.24 177.45 3m83 h ALA 164 N 1.50 0.80 -0.51 3.45 0.00 -0.98 0.36 119.26 123.87 3m83 h ALA 164 Ca 0.41 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3m83 h ALA 164 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3m83 h ALA 164 CO -0.32 0.65 -0.18 0.28 0.00 0.00 0.00 179.25 179.68 3m83 h VAL 165 N 0.50 1.27 0.00 0.00 2.07 -1.23 -3.06 116.25 115.81 3m83 h VAL 165 Ca 0.04 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 3m83 h VAL 165 Cb 0.93 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3m83 h VAL 165 CO 0.08 0.47 -0.39 0.03 0.02 0.00 0.00 177.57 177.78 3m83 h ARG 166 N 0.88 0.00 -0.94 1.57 2.47 -1.20 -2.97 114.38 114.19 3m83 h ARG 166 Ca 0.12 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.89 3m83 h ARG 166 Cb 0.75 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.02 3m83 h ARG 166 CO 0.06 0.39 0.62 0.00 0.56 0.00 0.00 179.97 181.60 3m83 h ALA 167 N 1.61 1.41 -0.40 0.04 0.00 -0.82 -0.09 119.26 121.01 3m83 h ALA 167 Ca -0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3m83 h ALA 167 Cb 0.85 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3m83 h ALA 167 CO 0.05 0.48 -0.26 0.28 0.00 0.00 0.00 179.25 179.81 3m83 h VAL 168 N 1.17 1.27 -0.75 0.00 2.07 -1.54 -0.44 116.25 118.03 3m83 h VAL 168 Ca 0.38 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 3m83 h VAL 168 Cb 0.05 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3m83 h VAL 168 CO -0.12 0.47 0.35 -0.33 0.02 0.00 0.00 177.57 177.96 3m83 h GLU 169 N 0.72 1.09 -0.26 1.57 4.39 -1.46 -0.87 114.58 119.76 3m83 h GLU 169 Ca 0.09 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3m83 h GLU 169 Cb 0.80 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3m83 h GLU 169 CO 0.07 0.86 0.11 0.00 -1.16 0.00 0.00 179.01 178.88 3m83 h ALA 170 N 1.18 0.33 -0.10 3.43 0.00 -0.67 -2.38 119.26 121.05 3m83 h ALA 170 Ca 0.26 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3m83 h ALA 170 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3m83 h ALA 170 CO -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.11 3m83 h ALA 171 N 0.96 0.07 -0.62 0.00 0.00 -0.99 -2.75 119.26 115.92 3m83 h ALA 171 Ca 0.09 0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.21 3m83 h ALA 171 Cb 0.16 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3m83 h ALA 171 CO -0.01 -0.49 0.44 0.00 0.00 0.00 0.00 179.25 179.20 3m83 h ALA 172 N 1.10 2.56 0.00 0.00 0.00 -1.07 -1.45 119.26 120.41 3m83 h ALA 172 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3m83 h ALA 172 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3m83 h ALA 172 CO -0.10 -0.74 0.00 -1.13 0.00 0.00 0.00 179.25 177.28 3m83 n SER 173 N -4.36 0.44 -4.71 0.00 3.41 -0.90 -4.79 113.62 102.71 3m83 n SER 173 Ca 0.12 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.87 3m83 n SER 173 Cb 0.68 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 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 -3.10 3.46 0.39 7.33 5.36 -0.55 -4.94 117.98 125.93 3m83 s PHE 174 Ca 0.10 1.33 0.07 0.00 -0.96 0.00 0.00 56.93 57.47 3m83 s PHE 174 Cb 0.13 -3.40 0.82 0.00 -0.34 0.00 0.00 43.02 40.23 3m83 s PHE 174 CO 0.49 -1.19 2.01 -1.35 -1.46 0.00 0.00 175.22 173.72 3m83 h PRO 175 N 6.71 0.62 -0.00 10.12 0.11 -1.88 -2.12 132.00 145.55 3m83 h PRO 175 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3m83 h PRO 175 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3m83 h PRO 175 CO 0.80 0.41 -0.03 1.04 -0.21 0.00 0.00 178.00 180.01 3m83 n GLN 176 N -4.47 0.62 -2.61 1.05 6.02 -1.26 -4.84 117.38 111.89 3m83 n GLN 176 Ca 0.07 -0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 3m83 n GLN 176 Cb 0.16 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.44 4.61 -0.41 5.09 1.01 -0.80 -0.41 120.40 127.05 3m83 s VAL 177 Ca 0.32 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.90 3m83 s VAL 177 Cb 0.21 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3m83 s VAL 177 CO 0.45 0.00 1.17 -0.62 0.00 0.00 0.00 175.10 176.09 3m83 s ASP 178 N 1.22 6.69 0.04 3.32 -1.08 0.68 -4.79 116.67 122.76 3m83 s ASP 178 Ca 0.51 0.76 0.20 0.00 -0.52 0.00 0.00 52.55 53.49 3m83 s ASP 178 Cb -0.20 -2.55 0.83 0.00 -1.46 0.00 0.00 42.92 39.54 3m83 s ASP 178 CO 0.19 -1.14 1.62 0.00 0.52 0.00 0.00 175.17 176.36 3m83 n GLN 179 N 7.53 0.03 0.00 4.34 6.02 -1.26 -1.78 117.38 132.26 3m83 n GLN 179 Ca 0.13 0.20 0.13 0.00 -0.01 0.00 0.00 57.00 57.45 3m83 n GLN 179 Cb 0.48 -1.56 0.48 0.00 1.02 0.00 0.00 30.24 30.66 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 -1.62 0.22 -2.61 -1.09 -0.58 -1.26 -4.26 120.64 109.44 3m83 n GLU 180 Ca 0.04 -0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.54 3m83 n GLU 180 Cb 0.23 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.62 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 -1.32 2.01 -3.42 3.49 1.74 -0.73 -4.91 116.66 113.51 3m83 n ARG 181 Ca 0.09 -3.74 -0.38 0.00 -0.77 0.00 0.00 57.85 53.04 3m83 n ARG 181 Cb 0.32 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.03 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 -4.02 5.21 -0.08 0.55 1.01 -1.25 -0.92 121.20 121.70 3m83 s ILE 182 Ca 0.35 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.58 3m83 s ILE 182 Cb 0.43 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3m83 s ILE 182 CO -0.05 0.21 -0.10 -0.69 0.00 0.00 0.00 174.94 174.31 3m83 s VAL 183 N 1.68 3.43 -0.15 2.92 1.01 0.11 -0.44 120.40 128.97 3m83 s VAL 183 Ca 0.15 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 3m83 s VAL 183 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3m83 s VAL 183 CO 0.09 0.57 0.02 0.27 0.00 0.00 0.00 175.10 176.05 3m83 s ILE 184 N -0.48 4.47 -0.01 2.22 -4.36 -0.43 0.68 121.20 123.29 3m83 s ILE 184 Ca 0.07 -0.16 -0.02 0.00 -0.26 0.00 0.00 60.65 60.28 3m83 s ILE 184 Cb -0.12 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.63 3m83 s ILE 184 CO 0.02 0.52 0.04 0.00 0.24 0.00 0.00 174.94 175.76 3m83 s ALA 185 N -0.04 -0.10 -0.12 2.27 0.00 0.08 -0.70 121.76 123.14 3m83 s ALA 185 Ca 0.04 0.08 -0.32 0.00 0.00 0.00 0.00 51.96 51.77 3m83 s ALA 185 Cb -0.13 -0.06 0.13 0.00 0.00 0.00 0.00 23.12 23.06 3m83 s ALA 185 CO 0.02 -0.03 1.07 0.20 0.00 0.00 0.00 175.76 177.01 3m83 s GLY 186 N -0.09 -0.35 -0.51 0.00 0.00 -0.59 -1.23 107.32 104.56 3m83 s GLY 186 Ca -0.01 1.44 0.05 0.00 0.00 0.00 0.00 44.72 46.20 3m83 s GLY 186 CO 0.00 0.51 1.02 0.61 0.00 0.00 0.00 173.10 175.24 3m83 n GLY 187 N -0.07 5.75 0.00 0.20 0.00 -1.26 -1.41 105.19 108.39 3m83 n GLY 187 Ca -0.04 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.23 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 -0.35 0.00 -0.13 1.61 7.27 -1.26 -2.96 117.38 121.55 3m83 n GLN 189 Ca 0.35 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.51 3m83 n GLN 189 Cb 0.53 0.00 0.44 0.00 2.41 0.00 0.00 30.24 33.62 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 0.76 1.29 1.69 0.00 -1.78 0.46 103.07 105.49 3m83 h GLY 190 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 3m83 h GLY 190 CO 0.00 0.14 -0.58 -1.33 0.00 0.00 0.00 176.54 174.78 3m83 h GLY 191 N 0.55 0.81 1.15 4.60 0.00 -1.54 -0.57 103.07 108.07 3m83 h GLY 191 Ca 0.30 -0.97 -0.15 0.00 0.00 0.00 0.00 47.33 46.52 3m83 h GLY 191 CO -0.10 0.86 -0.32 -1.33 0.00 0.00 0.00 176.54 175.66 3m83 h GLY 192 N 0.84 1.02 0.99 4.60 0.00 -1.43 -1.24 103.07 107.87 3m83 h GLY 192 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.34 3m83 h GLY 192 CO 0.12 0.90 0.02 -2.22 0.00 0.00 0.00 176.54 175.36 3m83 h ILE 193 N 0.79 1.01 -0.77 2.60 2.04 -0.89 -2.51 117.51 119.79 3m83 h ILE 193 Ca 0.08 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3m83 h ILE 193 Cb 0.91 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 3m83 h ILE 193 CO 0.08 0.01 0.50 0.00 0.00 0.00 0.00 178.15 178.75 3m83 h ALA 194 N 1.01 1.43 -0.70 1.87 0.00 -1.05 -1.32 119.26 120.50 3m83 h ALA 194 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3m83 h ALA 194 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3m83 h ALA 194 CO -0.00 0.52 0.24 1.25 0.00 0.00 0.00 179.25 181.25 3m83 h LEU 195 N 1.05 1.00 -0.41 0.00 5.85 -1.13 -0.39 115.31 121.28 3m83 h LEU 195 Ca 0.28 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3m83 h LEU 195 Cb -0.10 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 3m83 h LEU 195 CO -0.06 0.93 0.25 0.00 -0.34 0.00 0.00 178.44 179.23 3m83 h ALA 196 N 1.11 0.52 0.00 1.25 0.00 -0.93 -2.89 119.26 118.32 3m83 h ALA 196 Ca 0.23 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3m83 h ALA 196 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3m83 h ALA 196 CO -0.01 0.01 -0.31 0.28 0.00 0.00 0.00 179.25 179.22 3m83 h VAL 197 N 0.55 1.18 0.00 0.00 2.07 -0.85 -2.00 116.25 117.19 3m83 h VAL 197 Ca 0.15 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 3m83 h VAL 197 Cb -0.02 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3m83 h VAL 197 CO -0.03 0.30 -0.12 0.77 0.02 0.00 0.00 177.57 178.52 3m83 h SER 198 N 0.00 0.00 0.32 0.57 4.64 -0.86 0.84 113.55 119.06 3m83 h SER 198 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 3m83 h SER 198 Cb 0.56 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.60 3m83 h SER 198 CO 0.04 0.12 -1.94 0.00 -0.87 0.00 0.00 176.83 174.18 3m83 n ALA 199 N -2.28 1.49 -0.05 5.18 0.00 -0.89 -4.36 120.51 119.60 3m83 n ALA 199 Ca -0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 53.44 52.45 3m83 n ALA 199 Cb 0.24 -0.62 -0.16 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.95 0.10 -4.85 0.00 4.77 -0.81 -4.89 117.00 108.37 3m83 n LEU 200 Ca -0.23 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.46 3m83 n LEU 200 Cb 1.09 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 42.40 3m83 n LEU 200 CO 0.44 0.29 0.29 -0.55 -1.33 0.00 0.00 177.39 176.53 3m83 s SER 201 N -5.19 6.79 -0.01 -1.43 0.15 0.26 -4.98 113.70 109.29 3m83 s SER 201 Ca -0.09 1.12 0.21 0.00 0.70 0.00 0.00 55.95 57.89 3m83 s SER 201 Cb 0.09 -2.30 -0.26 0.00 -1.71 0.00 0.00 66.02 61.83 3m83 s SER 201 CO 0.86 -0.02 0.74 0.29 1.20 0.00 0.00 173.24 176.31 3m83 n LYS 202 N 0.29 0.29 0.00 5.44 4.76 -1.26 -4.59 118.16 123.09 3m83 n LYS 202 Ca -0.01 -0.07 0.08 0.00 -2.87 0.00 0.00 58.31 55.43 3m83 n LYS 202 Cb 0.52 -1.50 -0.13 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 -1.75 0.65 -2.24 1.97 4.76 -1.26 -4.96 118.16 115.33 3m83 n LYS 203 Ca 0.01 -0.08 -0.41 0.00 -2.87 0.00 0.00 58.31 54.97 3m83 n LYS 203 Cb 0.41 -1.60 -0.03 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 -3.31 3.47 -0.02 7.82 0.00 -1.26 -4.74 121.76 123.71 3m83 s ALA 204 Ca -0.06 1.14 0.11 0.00 0.00 0.00 0.00 51.96 53.15 3m83 s ALA 204 Cb 0.12 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.63 3m83 s ALA 204 CO 0.87 -0.48 0.23 1.63 0.00 0.00 0.00 175.76 178.01 3m83 n LYS 205 N 0.97 0.52 -3.71 0.00 4.76 0.41 -4.97 118.16 116.15 3m83 n LYS 205 Ca -0.00 -0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.21 3m83 n LYS 205 Cb 0.43 -1.27 -0.07 0.00 -1.84 0.00 0.00 35.03 32.27 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 -2.75 -0.92 -0.13 7.82 0.00 -1.17 -4.21 121.76 120.41 3m83 s ALA 206 Ca -0.04 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.27 3m83 s ALA 206 Cb 0.07 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.39 3m83 s ALA 206 CO 0.47 -0.37 -0.18 -1.17 0.00 0.00 0.00 175.76 174.52 3m83 s LEU 207 N -1.69 2.40 -0.26 0.00 2.96 0.05 -1.31 118.68 120.82 3m83 s LEU 207 Ca -0.09 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.29 3m83 s LEU 207 Cb -0.02 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 3m83 s LEU 207 CO 0.01 0.13 0.05 -0.76 -1.32 0.00 0.00 176.35 174.46 3m83 s LEU 208 N 0.54 3.52 -0.36 -0.68 1.43 0.12 -1.47 118.68 121.77 3m83 s LEU 208 Ca -0.11 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3m83 s LEU 208 Cb -0.16 -1.87 0.12 0.00 0.03 0.00 0.00 46.19 44.30 3m83 s LEU 208 CO 0.04 -0.10 0.15 0.00 0.23 0.00 0.00 176.35 176.67 3m83 s ASP 210 N 1.06 6.37 -1.03 0.00 1.01 -0.50 -2.11 116.67 121.48 3m83 s ASP 210 Ca 0.13 0.44 -0.17 0.00 0.71 0.00 0.00 52.55 53.67 3m83 s ASP 210 Cb -0.20 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 41.64 3m83 s ASP 210 CO -0.13 0.27 0.31 1.33 0.21 0.00 0.00 175.17 177.16 3m83 n VAL 211 N 2.76 -1.50 -1.98 -1.27 0.24 -0.52 -4.19 118.33 111.87 3m83 n VAL 211 Ca -0.17 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 3m83 n VAL 211 Cb 0.53 -1.32 -0.02 0.00 -1.47 0.00 0.00 33.84 31.56 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 -6.70 4.25 0.49 7.34 0.04 -1.26 -4.76 135.00 134.39 3m83 s PRO 212 Ca 0.23 2.32 0.02 0.00 0.04 0.00 0.00 61.00 63.62 3m83 s PRO 212 Cb -0.13 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.30 3m83 s PRO 212 CO 0.75 -0.48 0.69 0.12 0.04 0.00 0.00 177.00 178.12 3m83 s PHE 213 N 0.36 2.97 -0.53 0.56 5.36 -1.26 -4.64 117.98 120.79 3m83 s PHE 213 Ca 0.63 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 56.57 3m83 s PHE 213 Cb -0.42 -2.53 0.00 0.00 -0.34 0.00 0.00 43.02 39.73 3m83 s PHE 213 CO 0.40 -0.61 0.14 1.28 -1.46 0.00 0.00 175.22 174.97 3m83 n LEU 214 N -2.15 -1.73 -4.01 6.12 4.77 -1.26 -3.55 117.00 115.19 3m83 n LEU 214 Ca 0.06 -0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 3m83 n LEU 214 Cb 0.59 -1.31 -0.16 0.00 -2.33 0.00 0.00 43.42 40.20 3m83 n LEU 214 CO 0.45 0.03 -0.46 0.00 -1.33 0.00 0.00 177.39 176.08 3m83 n HIS 216 N 3.76 -2.07 -0.34 0.00 -0.00 -1.26 -4.71 115.22 110.60 3m83 n HIS 216 Ca -0.23 0.75 0.05 0.00 -0.00 0.00 0.00 57.72 58.29 3m83 n HIS 216 Cb 0.52 -4.11 0.23 0.00 -0.00 0.00 0.00 29.99 26.62 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 -1.68 1.12 -0.67 1.57 0.04 -1.95 -1.58 116.94 113.79 3m83 h PHE 217 Ca -0.62 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.10 3m83 h PHE 217 Cb 1.35 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 39.10 3m83 h PHE 217 CO 0.39 0.53 0.11 -0.09 -0.60 0.00 0.00 178.31 178.65 3m83 h ARG 218 N 1.05 1.11 -0.23 1.51 9.65 -1.98 -2.01 114.38 123.48 3m83 h ARG 218 Ca 0.45 -0.29 -0.07 0.00 -1.10 0.00 0.00 59.98 58.96 3m83 h ARG 218 Cb 0.32 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 3m83 h ARG 218 CO -0.20 1.01 -0.14 -0.09 2.80 0.00 0.00 179.97 183.35 3m83 h ARG 219 N 1.04 0.50 -0.62 0.20 9.65 -1.73 -3.14 114.38 120.28 3m83 h ARG 219 Ca 0.20 -0.23 0.08 0.00 -1.10 0.00 0.00 59.98 58.94 3m83 h ARG 219 Cb 0.43 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.94 3m83 h ARG 219 CO 0.01 0.79 0.27 0.00 2.80 0.00 0.00 179.97 183.84 3m83 h ALA 220 N 0.70 0.81 -0.12 2.80 0.00 -1.10 -1.15 119.26 121.21 3m83 h ALA 220 Ca 0.05 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3m83 h ALA 220 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3m83 h ALA 220 CO 0.04 -0.13 -0.41 0.28 0.00 0.00 0.00 179.25 179.03 3m83 h VAL 221 N 0.48 1.31 0.00 0.00 2.07 -1.46 -1.86 116.25 116.79 3m83 h VAL 221 Ca 0.30 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3m83 h VAL 221 Cb 0.33 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3m83 h VAL 221 CO -0.27 0.45 -0.56 0.06 0.02 0.00 0.00 177.57 177.28 3m83 h GLN 222 N 0.22 0.00 0.06 1.57 3.07 -1.41 -3.39 115.11 115.23 3m83 h GLN 222 Ca 0.02 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.43 3m83 h GLN 222 Cb 0.81 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.34 3m83 h GLN 222 CO 0.06 0.00 -1.82 -0.11 0.09 0.00 0.00 178.83 177.05 3m83 n LEU 223 N -2.33 2.34 -4.33 0.06 0.00 -0.47 -4.99 117.00 107.27 3m83 n LEU 223 Ca 0.03 0.27 -0.26 0.00 0.00 0.00 0.00 56.01 56.05 3m83 n LEU 223 Cb 0.47 -1.03 -0.13 0.00 0.00 0.00 0.00 43.42 42.74 3m83 n LEU 223 CO 0.36 0.64 -0.53 0.68 0.00 0.00 0.00 177.39 178.54 3m83 s VAL 224 N -2.48 1.94 -0.32 1.96 -7.23 -0.72 -5.02 120.40 108.52 3m83 s VAL 224 Ca -0.27 -1.68 0.15 0.00 -1.81 0.00 0.00 61.98 58.37 3m83 s VAL 224 Cb 0.07 -1.76 0.41 0.00 0.56 0.00 0.00 36.38 35.66 3m83 s VAL 224 CO 0.67 -0.04 1.32 -0.90 -0.31 0.00 0.00 175.10 175.84 3m83 n ASP 225 N 0.91 3.32 -4.87 4.85 5.75 -1.26 -4.68 116.55 120.57 3m83 n ASP 225 Ca -0.18 -2.75 -0.30 0.00 -0.01 0.00 0.00 54.79 51.55 3m83 n ASP 225 Cb 0.54 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 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 -2.33 4.76 0.47 2.12 -4.23 -1.26 -4.75 115.64 110.42 3m83 s THR 226 Ca 0.34 0.68 -0.20 0.00 -1.18 0.00 0.00 61.69 61.33 3m83 s THR 226 Cb 0.26 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 70.27 3m83 s THR 226 CO 0.09 -0.55 0.99 -1.00 -0.54 0.00 0.00 174.62 173.60 3m83 s HIS 227 N -2.42 3.21 -1.56 3.99 3.76 -1.26 -1.34 115.29 119.66 3m83 s HIS 227 Ca 0.52 1.57 0.27 0.00 -0.15 0.00 0.00 55.06 57.28 3m83 s HIS 227 Cb -0.10 -2.92 0.90 0.00 1.11 0.00 0.00 32.58 31.57 3m83 s HIS 227 CO 0.32 -0.44 1.66 -0.35 -0.85 0.00 0.00 174.74 175.08 3m83 n PRO 228 N -0.96 0.62 0.19 8.40 -0.05 -1.26 -4.87 135.00 137.07 3m83 n PRO 228 Ca 0.08 -0.31 0.12 0.00 -0.05 0.00 0.00 63.50 63.34 3m83 n PRO 228 Cb 0.53 -1.49 0.66 0.00 -0.05 0.00 0.00 33.50 33.15 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 0.75 0.00 0.00 0.54 0.05 -1.85 -1.83 116.97 114.63 3m83 h TYR 229 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3m83 h TYR 229 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3m83 h TYR 229 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 3m83 h ALA 230 N 1.92 1.00 -0.78 3.88 0.00 -1.50 -2.42 119.26 121.36 3m83 h ALA 230 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3m83 h ALA 230 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3m83 h ALA 230 CO -0.00 0.00 0.52 0.93 0.00 0.00 0.00 179.25 180.70 3m83 h GLU 231 N 0.00 1.03 -0.24 0.00 5.08 -1.61 0.21 114.58 119.05 3m83 h GLU 231 Ca 0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3m83 h GLU 231 Cb 0.19 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3m83 h GLU 231 CO 0.00 0.68 0.05 0.82 -1.00 0.00 0.00 179.01 179.56 3m83 h ILE 232 N 1.06 1.22 -0.44 3.13 2.04 -1.61 -1.79 117.51 121.12 3m83 h ILE 232 Ca 0.29 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.47 3m83 h ILE 232 Cb -0.12 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3m83 h ILE 232 CO -0.07 0.23 0.18 0.74 0.00 0.00 0.00 178.15 179.23 3m83 h THR 233 N 0.21 0.90 -0.68 -0.27 2.02 -1.49 -1.05 112.91 112.55 3m83 h THR 233 Ca 0.07 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 3m83 h THR 233 Cb 0.30 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3m83 h THR 233 CO 0.00 0.07 0.19 0.78 0.37 0.00 0.00 175.52 176.93 3m83 h ASN 234 N 0.36 1.00 -0.40 4.18 2.35 -0.88 0.17 115.58 122.36 3m83 h ASN 234 Ca 0.20 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3m83 h ASN 234 Cb 0.17 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3m83 h ASN 234 CO -0.18 0.95 0.19 0.15 -1.65 0.00 0.00 177.43 176.88 3m83 h PHE 235 N 1.02 0.58 0.00 1.19 3.04 -1.08 -2.99 116.94 118.70 3m83 h PHE 235 Ca 0.22 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.06 3m83 h PHE 235 Cb 0.33 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 3m83 h PHE 235 CO 0.02 0.48 -0.37 -0.07 -2.02 0.00 0.00 178.31 176.36 3m83 h LEU 236 N 0.50 0.00 -1.41 0.59 3.38 -0.71 0.48 115.31 118.14 3m83 h LEU 236 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3m83 h LEU 236 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3m83 h LEU 236 CO -0.02 0.37 0.29 0.11 0.09 0.00 0.00 178.44 179.29 3m83 h LYS 237 N 0.00 0.69 0.00 1.13 1.57 -0.83 -3.29 116.57 115.84 3m83 h LYS 237 Ca -0.00 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.49 3m83 h LYS 237 Cb 0.66 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 3m83 h LYS 237 CO 0.05 0.50 -1.25 2.41 -0.57 0.00 0.00 179.45 180.59 3m83 n THR 238 N -4.42 1.53 -2.30 -0.16 -1.04 -1.07 -4.58 114.28 102.24 3m83 n THR 238 Ca 0.04 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 3m83 n THR 238 Cb 0.09 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.54 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 -4.44 2.88 0.31 -1.42 8.25 0.14 -4.78 115.22 116.16 3m83 n HIS 239 Ca -0.31 -2.79 0.16 0.00 -0.26 0.00 0.00 57.72 54.52 3m83 n HIS 239 Cb 0.67 -1.93 0.71 0.00 1.12 0.00 0.00 29.99 30.55 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 5.63 0.00 -0.01 -0.41 3.08 -1.81 -1.29 114.38 119.58 3m83 h ARG 240 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3m83 h ARG 240 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3m83 h ARG 240 CO 1.62 0.00 -0.12 -0.40 -1.07 0.00 0.00 179.97 180.00 3m83 n ASP 241 N -2.76 0.84 -0.70 7.04 5.75 -1.26 -4.44 116.55 121.02 3m83 n ASP 241 Ca 0.00 -0.93 0.06 0.00 -0.01 0.00 0.00 54.79 53.92 3m83 n ASP 241 Cb 0.22 0.01 0.18 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.60 2.89 -0.14 0.11 4.76 -0.48 -4.73 118.16 119.97 3m83 n LYS 242 Ca 0.16 -2.31 -0.07 0.00 -2.87 0.00 0.00 58.31 53.23 3m83 n LYS 242 Cb 0.30 -1.46 0.02 0.00 -1.84 0.00 0.00 35.03 32.06 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 1.88 0.50 -0.38 1.97 4.81 -1.78 -0.67 114.58 120.91 3m83 h GLU 243 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3m83 h GLU 243 Cb 0.97 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3m83 h GLU 243 CO 0.08 0.33 -0.00 1.49 -0.73 0.00 0.00 179.01 180.17 3m83 h GLU 244 N 0.51 0.68 -0.64 1.92 4.81 -1.96 -2.47 114.58 117.44 3m83 h GLU 244 Ca 0.18 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3m83 h GLU 244 Cb 0.02 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3m83 h GLU 244 CO -0.09 0.78 0.29 0.82 -0.73 0.00 0.00 179.01 180.08 3m83 h ILE 245 N 0.50 1.23 -0.05 2.32 2.04 -1.86 -1.97 117.51 119.72 3m83 h ILE 245 Ca 0.11 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 3m83 h ILE 245 Cb 0.47 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3m83 h ILE 245 CO 0.02 0.27 0.03 0.58 0.00 0.00 0.00 178.15 179.05 3m83 h VAL 246 N 0.88 1.06 0.00 1.67 2.07 -0.97 -1.54 116.25 119.43 3m83 h VAL 246 Ca 0.22 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3m83 h VAL 246 Cb 0.15 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3m83 h VAL 246 CO -0.02 0.05 -0.14 -0.26 0.02 0.00 0.00 177.57 177.22 3m83 h PHE 247 N 0.01 0.00 0.04 1.57 0.04 -1.45 -1.48 116.94 115.66 3m83 h PHE 247 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3m83 h PHE 247 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3m83 h PHE 247 CO -0.05 0.14 -0.02 -0.09 -0.60 0.00 0.00 178.31 177.69 3m83 h ARG 248 N 0.00 -0.05 -0.44 1.51 2.43 -1.14 -2.51 114.38 114.18 3m83 h ARG 248 Ca -0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3m83 h ARG 248 Cb 0.83 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 3m83 h ARG 248 CO 0.02 0.31 0.16 1.15 -1.51 0.00 0.00 179.97 180.10 3m83 h THR 249 N -0.41 0.87 0.00 0.20 2.02 -1.08 -2.91 112.91 111.59 3m83 h THR 249 Ca -0.01 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 3m83 h THR 249 Cb 0.38 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3m83 h THR 249 CO 0.01 0.06 -0.23 -0.07 0.37 0.00 0.00 175.52 175.66 3m83 h LEU 250 N 0.33 0.00 -1.93 2.58 3.38 -1.29 -2.73 115.31 115.65 3m83 h LEU 250 Ca 0.20 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.26 3m83 h LEU 250 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3m83 h LEU 250 CO -0.21 0.23 0.24 0.77 0.09 0.00 0.00 178.44 179.57 3m83 h SER 251 N 0.00 0.07 0.90 -0.43 4.64 -1.23 -1.93 113.55 115.57 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 0.53 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3m83 h SER 251 CO 0.03 0.05 0.00 -1.22 -0.87 0.00 0.00 176.83 174.82 3m83 n TYR 252 N -4.45 0.42 -0.20 4.77 4.02 -1.03 -3.54 117.16 117.14 3m83 n TYR 252 Ca 0.05 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 3m83 n TYR 252 Cb 0.36 -0.73 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 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 -1.86 0.00 -2.78 -0.72 3.72 -0.75 -5.03 117.46 110.03 3m83 n PHE 253 Ca 0.04 -0.34 -0.42 0.00 -0.05 0.00 0.00 57.45 56.69 3m83 n PHE 253 Cb 0.28 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 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 -0.67 7.10 0.51 4.37 -1.08 -1.02 -4.87 116.67 121.00 3m83 s ASP 254 Ca 0.00 1.36 0.23 0.00 -0.52 0.00 0.00 52.55 53.62 3m83 s ASP 254 Cb 0.00 -2.51 1.32 0.00 -1.46 0.00 0.00 42.92 40.27 3m83 s ASP 254 CO 0.00 -0.44 1.97 1.23 0.52 0.00 0.00 175.17 178.46 3m83 h GLY 255 N 8.22 0.16 1.30 2.66 0.00 -1.38 -0.50 103.07 113.54 3m83 h GLY 255 Ca -0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3m83 h GLY 255 CO 0.86 0.02 0.37 -2.08 0.00 0.00 0.00 176.54 175.70 3m83 h VAL 256 N 0.10 1.20 0.02 4.60 2.07 -1.91 0.44 116.25 122.77 3m83 h VAL 256 Ca 0.29 -0.48 -0.21 0.00 0.82 0.00 0.00 66.70 67.11 3m83 h VAL 256 Cb 1.00 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3m83 h VAL 256 CO -0.03 0.22 -0.94 0.78 0.02 0.00 0.00 177.57 177.62 3m83 h ASN 257 N 0.93 0.26 -0.25 0.57 2.35 -1.43 -2.87 115.58 115.13 3m83 h ASN 257 Ca 0.24 -0.22 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 3m83 h ASN 257 Cb 0.01 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3m83 h ASN 257 CO -0.04 1.06 -0.51 -0.26 -1.65 0.00 0.00 177.43 176.03 3m83 h PHE 258 N 0.09 1.04 -0.99 1.19 0.04 -1.38 -3.28 116.94 113.66 3m83 h PHE 258 Ca -0.05 -0.35 0.06 0.00 2.80 0.00 0.00 57.97 60.43 3m83 h PHE 258 Cb 1.59 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 39.48 3m83 h PHE 258 CO 0.03 1.17 0.64 0.00 -0.60 0.00 0.00 178.31 179.54 3m83 h ALA 259 N 0.76 1.37 0.00 2.45 0.00 -0.87 -0.87 119.26 122.10 3m83 h ALA 259 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m83 h ALA 259 Cb 1.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3m83 h ALA 259 CO 0.11 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3m83 h ALA 260 N 1.45 1.00 0.00 0.00 0.00 -1.49 -1.56 119.26 118.66 3m83 h ALA 260 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3m83 h ALA 260 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3m83 h ALA 260 CO -0.17 0.00 -1.10 0.54 0.00 0.00 0.00 179.25 178.52 3m83 n ARG 261 N -2.79 1.23 -2.71 0.00 1.74 -0.40 -4.66 116.66 109.08 3m83 n ARG 261 Ca -0.01 -0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 3m83 n ARG 261 Cb 0.14 -1.32 -0.05 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.75 3.31 -0.02 7.54 0.00 -0.80 -4.84 121.76 124.19 3m83 s ALA 262 Ca 0.02 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.63 3m83 s ALA 262 Cb 0.12 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 3m83 s ALA 262 CO 0.68 0.07 0.02 1.63 0.00 0.00 0.00 175.76 178.17 3m83 n LYS 263 N 2.00 5.17 -2.53 0.00 4.76 -1.26 -1.20 118.16 125.09 3m83 n LYS 263 Ca -0.00 -0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 3m83 n LYS 263 Cb 0.48 -0.65 -0.04 0.00 -1.84 0.00 0.00 35.03 32.98 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 -1.29 4.25 0.45 -0.18 -4.36 -1.26 -4.27 121.20 114.53 3m83 s ILE 264 Ca 0.00 1.25 -0.25 0.00 -0.26 0.00 0.00 60.65 61.39 3m83 s ILE 264 Cb 0.00 -3.58 -0.08 0.00 1.25 0.00 0.00 42.46 40.05 3m83 s ILE 264 CO 0.03 -0.45 1.43 -2.84 0.24 0.00 0.00 174.94 173.35 3m83 s PRO 265 N -3.59 3.70 -0.01 0.37 0.02 -1.26 -4.29 135.00 129.94 3m83 s PRO 265 Ca 0.62 2.43 -0.01 0.00 0.02 0.00 0.00 61.00 64.07 3m83 s PRO 265 Cb -0.12 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.74 3m83 s PRO 265 CO 0.23 -0.81 0.03 0.00 -0.33 0.00 0.00 177.00 176.12 3m83 s ALA 266 N -1.20 -0.07 -0.24 -1.55 0.00 -0.07 -0.77 121.76 117.86 3m83 s ALA 266 Ca 0.61 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 3m83 s ALA 266 Cb -0.44 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.65 3m83 s ALA 266 CO 0.57 -0.01 -0.05 -1.17 0.00 0.00 0.00 175.76 175.10 3m83 s LEU 267 N 0.01 3.12 0.24 0.00 2.96 -0.54 -1.50 118.68 122.97 3m83 s LEU 267 Ca -0.00 -0.69 0.05 0.00 -0.22 0.00 0.00 54.13 53.27 3m83 s LEU 267 Cb -0.00 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3m83 s LEU 267 CO 0.00 -0.10 0.36 -0.36 -1.32 0.00 0.00 176.35 174.94 3m83 s PHE 268 N 1.39 3.42 0.06 5.38 0.40 0.01 -1.35 117.98 127.30 3m83 s PHE 268 Ca 0.03 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 3m83 s PHE 268 Cb -0.16 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 3m83 s PHE 268 CO -0.04 0.42 -0.05 -1.54 0.70 0.00 0.00 175.22 174.71 3m83 s SER 269 N -3.99 0.73 -0.12 1.36 1.04 -0.90 -0.70 113.70 111.13 3m83 s SER 269 Ca 0.34 -0.82 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 3m83 s SER 269 Cb -0.09 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.18 3m83 s SER 269 CO 0.29 -0.42 0.32 0.54 0.98 0.00 0.00 173.24 174.95 3m83 s VAL 270 N -2.86 0.00 -0.25 5.02 0.11 -0.72 -1.44 120.40 120.26 3m83 s VAL 270 Ca 0.01 -0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 58.96 3m83 s VAL 270 Cb 0.00 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3m83 s VAL 270 CO -0.05 -0.01 0.10 -0.83 -3.33 0.00 0.00 175.10 170.98 3m83 s GLY 271 N 0.12 1.82 0.25 6.54 0.00 -1.26 -1.07 107.32 113.72 3m83 s GLY 271 Ca -0.00 -1.06 0.24 0.00 0.00 0.00 0.00 44.72 43.89 3m83 s GLY 271 CO 0.01 0.49 1.72 1.04 0.00 0.00 0.00 173.10 176.36 3m83 n LEU 272 N 4.75 0.69 -1.13 0.66 4.77 -0.59 -2.09 117.00 124.06 3m83 n LEU 272 Ca -0.16 0.65 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 3m83 n LEU 272 Cb 0.52 -0.54 0.28 0.00 -2.33 0.00 0.00 43.42 41.34 3m83 n LEU 272 CO 0.32 -0.51 0.74 0.23 -1.33 0.00 0.00 177.39 176.84 3m83 n MET 273 N -2.24 3.35 -2.40 3.23 2.81 -0.64 -4.66 117.12 116.56 3m83 n MET 273 Ca 0.03 -2.70 -0.43 0.00 -1.81 0.00 0.00 57.70 52.78 3m83 n MET 273 Cb 0.26 -1.76 -0.02 0.00 -0.71 0.00 0.00 33.22 30.98 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 -1.31 6.59 0.00 7.83 -1.08 -0.89 -4.44 116.67 123.37 3m83 s ASP 274 Ca 0.41 1.12 0.22 0.00 -0.52 0.00 0.00 52.55 53.79 3m83 s ASP 274 Cb 0.29 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.76 3m83 s ASP 274 CO 0.16 -1.16 1.47 -0.46 0.52 0.00 0.00 175.17 175.69 3m83 n ASN 275 N 7.91 3.71 -0.14 -0.34 6.94 -1.26 -3.61 115.26 128.48 3m83 n ASN 275 Ca 0.15 -1.99 -0.29 0.00 -0.02 0.00 0.00 54.58 52.43 3m83 n ASN 275 Cb 0.47 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 37.40 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 1.53 1.53 -3.84 1.53 2.08 -1.26 -4.60 119.36 116.32 3m83 n ILE 276 Ca 0.22 -0.38 -0.32 0.00 0.56 0.00 0.00 62.75 62.82 3m83 n ILE 276 Cb 0.60 -1.87 -0.12 0.00 -0.75 0.00 0.00 39.64 37.51 3m83 n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m83 s PRO 278 N -0.50 3.56 0.47 0.00 0.02 -1.24 -4.76 135.00 132.54 3m83 s PRO 278 Ca 0.19 2.38 0.22 0.00 0.02 0.00 0.00 61.00 63.80 3m83 s PRO 278 Cb -0.19 -2.56 1.22 0.00 0.02 0.00 0.00 34.50 32.99 3m83 s PRO 278 CO -0.05 -0.90 1.91 -1.00 -0.33 0.00 0.00 177.00 176.63 3m83 h PRO 279 N 2.12 0.23 -0.14 5.54 0.13 -1.78 -1.13 132.00 136.97 3m83 h PRO 279 Ca -0.51 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 3m83 h PRO 279 Cb 1.27 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3m83 h PRO 279 CO 0.60 0.15 -0.27 0.66 -0.23 0.00 0.00 178.00 178.91 3m83 h SER 280 N 0.24 0.26 -0.14 1.44 4.64 -1.94 0.11 113.55 118.16 3m83 h SER 280 Ca 0.39 -0.08 -0.23 0.00 -0.47 0.00 0.00 61.79 61.40 3m83 h SER 280 Cb 1.17 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3m83 h SER 280 CO -0.09 0.54 -0.81 0.71 -0.87 0.00 0.00 176.83 176.31 3m83 h THR 281 N 0.24 1.27 -0.20 2.95 1.35 -1.54 -1.62 112.91 115.37 3m83 h THR 281 Ca 0.04 -1.99 -0.03 0.00 -0.55 0.00 0.00 66.41 63.87 3m83 h THR 281 Cb 0.61 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 3m83 h THR 281 CO 0.04 0.63 0.01 0.58 -0.25 0.00 0.00 175.52 176.54 3m83 h VAL 282 N 0.54 1.25 -0.25 6.82 2.07 -1.26 -2.81 116.25 122.60 3m83 h VAL 282 Ca -0.06 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 3m83 h VAL 282 Cb 1.44 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3m83 h VAL 282 CO 0.17 0.25 -0.20 -0.26 0.02 0.00 0.00 177.57 177.55 3m83 h PHE 283 N 0.11 0.50 -0.17 1.57 0.04 -0.85 -0.04 116.94 118.11 3m83 h PHE 283 Ca 0.06 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.77 3m83 h PHE 283 Cb 0.37 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 3m83 h PHE 283 CO 0.03 0.63 -0.07 0.00 -0.60 0.00 0.00 178.31 178.30 3m83 h ALA 284 N 1.38 0.08 -0.33 2.45 0.00 -1.24 0.16 119.26 121.76 3m83 h ALA 284 Ca 0.07 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3m83 h ALA 284 Cb 0.58 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3m83 h ALA 284 CO 0.04 -0.51 0.13 0.00 0.00 0.00 0.00 179.25 178.92 3m83 h ALA 285 N 1.11 0.43 -0.48 0.00 0.00 -1.22 -2.62 119.26 116.48 3m83 h ALA 285 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3m83 h ALA 285 Cb 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3m83 h ALA 285 CO -0.20 0.02 0.31 -0.92 0.00 0.00 0.00 179.25 178.46 3m83 h TYR 286 N 0.38 0.62 -0.17 0.00 3.20 -0.83 -1.78 116.97 118.39 3m83 h TYR 286 Ca 0.11 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3m83 h TYR 286 Cb 0.18 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3m83 h TYR 286 CO -0.01 0.41 -0.25 -0.91 -1.64 0.00 0.00 178.16 175.76 3m83 h ASN 287 N 0.65 0.31 1.00 -2.11 2.35 -0.65 -2.25 115.58 114.88 3m83 h ASN 287 Ca 0.17 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3m83 h ASN 287 Cb -0.05 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3m83 h ASN 287 CO -0.04 0.57 -0.20 -1.22 -1.65 0.00 0.00 177.43 174.89 3m83 n TYR 288 N -4.15 0.32 -1.68 1.19 4.01 -0.99 -4.90 117.16 110.96 3m83 n TYR 288 Ca -0.01 0.09 -0.44 0.00 -0.16 0.00 0.00 57.90 57.38 3m83 n TYR 288 Cb 0.38 -0.58 -0.04 0.00 -0.31 0.00 0.00 39.34 38.79 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 -1.79 2.49 1.04 -0.72 9.36 -0.68 -3.28 117.16 123.58 3m83 n TYR 289 Ca 0.06 -0.12 0.11 0.00 3.32 0.00 0.00 57.90 61.27 3m83 n TYR 289 Cb 0.38 -2.71 0.14 0.00 -0.63 0.00 0.00 39.34 36.52 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 6.05 3.83 -1.97 2.98 0.00 -0.62 -4.92 120.51 125.86 3m83 n ALA 290 Ca 0.19 -0.46 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 3m83 n ALA 290 Cb 0.35 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.88 1.77 0.32 0.00 0.00 -0.34 -4.78 107.32 101.42 3m83 s GLY 291 Ca 0.13 -1.41 -0.29 0.00 0.00 0.00 0.00 44.72 43.14 3m83 s GLY 291 CO 0.71 -0.97 1.53 -1.05 0.00 0.00 0.00 173.10 173.32 3m83 n PRO 292 N -2.71 2.61 -3.71 2.90 -0.02 -1.26 -4.87 135.00 127.95 3m83 n PRO 292 Ca 0.11 0.92 -0.13 0.00 -2.02 0.00 0.00 63.50 62.38 3m83 n PRO 292 Cb 0.60 -2.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.08 0.81 0.05 -0.52 -2.85 -1.26 -0.90 119.74 113.99 3m83 s LYS 293 Ca 0.60 -0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 3m83 s LYS 293 Cb -0.50 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.59 3m83 s LYS 293 CO 0.54 -0.25 -0.05 -1.21 0.10 0.00 0.00 175.35 174.49 3m83 s GLU 294 N -1.83 0.58 -0.03 1.78 2.02 -0.56 -4.98 118.70 115.67 3m83 s GLU 294 Ca -0.10 -1.03 0.03 0.00 0.02 0.00 0.00 54.97 53.89 3m83 s GLU 294 Cb -0.03 0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.22 3m83 s GLU 294 CO 0.02 -0.05 -0.10 -1.50 0.02 0.00 0.00 175.26 173.65 3m83 s ILE 295 N -2.86 0.89 -0.23 -1.63 2.07 -1.26 -0.81 121.20 117.37 3m83 s ILE 295 Ca -0.00 -0.40 -0.12 0.00 -1.41 0.00 0.00 60.65 58.72 3m83 s ILE 295 Cb 0.00 -0.80 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 3m83 s ILE 295 CO -0.05 0.28 0.23 -0.13 -1.91 0.00 0.00 174.94 173.36 3m83 s ARG 296 N 0.30 4.10 -0.20 3.50 1.81 0.12 -4.96 118.95 123.63 3m83 s ARG 296 Ca -0.06 -0.13 -0.05 0.00 -1.72 0.00 0.00 55.73 53.77 3m83 s ARG 296 Cb -0.10 -3.53 -0.02 0.00 -0.45 0.00 0.00 34.95 30.84 3m83 s ARG 296 CO 0.01 0.04 -0.00 0.42 -0.68 0.00 0.00 175.30 175.09 3m83 s ILE 297 N 1.10 3.96 -0.55 1.52 1.01 -1.26 -1.76 121.20 125.22 3m83 s ILE 297 Ca 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.44 3m83 s ILE 297 Cb -0.14 -2.79 0.14 0.00 0.01 0.00 0.00 42.46 39.69 3m83 s ILE 297 CO 0.05 0.43 0.34 -0.31 0.00 0.00 0.00 174.94 175.45 3m83 s TYR 298 N 0.94 3.39 0.51 3.97 2.02 -0.24 -4.99 117.35 122.96 3m83 s TYR 298 Ca 0.01 -2.83 0.23 0.00 -0.37 0.00 0.00 57.07 54.11 3m83 s TYR 298 Cb -0.14 -3.08 1.45 0.00 -0.40 0.00 0.00 41.96 39.78 3m83 s TYR 298 CO 0.02 -0.84 2.14 -1.35 -1.57 0.00 0.00 175.55 173.95 3m83 h PRO 299 N 7.05 0.00 -0.02 -1.71 0.11 -1.96 -1.52 132.00 133.96 3m83 h PRO 299 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3m83 h PRO 299 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3m83 h PRO 299 CO 0.69 0.06 -0.04 0.66 -0.21 0.00 0.00 178.00 179.16 3m83 n TYR 300 N -4.09 0.00 -3.55 0.65 4.01 -1.26 -4.03 117.16 108.89 3m83 n TYR 300 Ca -0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 3m83 n TYR 300 Cb 0.14 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.23 6.63 0.00 7.72 -0.87 -1.12 -4.83 114.94 121.24 3m83 s ASN 301 Ca 0.15 0.80 0.00 0.00 -1.57 0.00 0.00 52.86 52.25 3m83 s ASN 301 Cb 0.11 -2.18 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 3m83 s ASN 301 CO 0.20 0.11 0.00 0.59 -2.57 0.00 0.00 177.10 175.43 3m83 n ASN 302 N 0.60 0.00 0.29 -1.22 4.13 -1.26 -1.61 115.26 116.19 3m83 n ASN 302 Ca -0.06 0.00 0.19 0.00 1.68 0.00 0.00 54.58 56.39 3m83 n ASN 302 Cb 0.52 0.00 0.84 0.00 -1.54 0.00 0.00 39.78 39.60 3m83 n ASN 302 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 3m83 h HIS 303 N 0.00 0.00 -0.00 3.10 -0.00 -1.92 -1.72 115.15 114.61 3m83 h HIS 303 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3m83 h HIS 303 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3m83 h HIS 303 CO 0.00 0.00 0.01 1.05 -0.00 0.00 0.00 177.93 178.99 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 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 3m83 h GLU 304 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 3m83 n GLY 305 N -1.12 3.20 0.07 1.06 0.00 -0.65 -2.45 105.19 105.29 3m83 n GLY 305 Ca -0.03 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.12 7.00 -0.02 0.00 -1.26 -4.78 105.19 105.01 3m83 n GLY 306 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.34 2.88 0.23 -0.02 0.00 -1.03 -1.87 105.19 106.72 3m83 n GLY 307 Ca 0.12 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 1.71 0.00 -0.77 1.61 0.02 -1.95 -2.21 113.55 111.96 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 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3m83 h SER 308 CO 0.00 0.23 0.39 -0.26 -1.14 0.00 0.00 176.83 176.06 3m83 h PHE 309 N 0.00 1.09 -0.15 3.45 -1.00 -1.80 -2.91 116.94 115.62 3m83 h PHE 309 Ca -0.00 -0.04 -0.14 0.00 2.81 0.00 0.00 57.97 60.60 3m83 h PHE 309 Cb 0.61 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 3m83 h PHE 309 CO 0.00 0.79 -0.50 0.37 -1.61 0.00 0.00 178.31 177.35 3m83 h GLN 310 N 1.08 0.42 -0.66 1.51 5.75 -0.95 -2.68 115.11 119.58 3m83 h GLN 310 Ca 0.27 -0.24 0.10 0.00 -0.15 0.00 0.00 58.65 58.63 3m83 h GLN 310 Cb 0.08 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.58 3m83 h GLN 310 CO -0.04 0.82 0.27 0.00 -2.65 0.00 0.00 178.83 177.23 3m83 h ALA 311 N 1.13 0.88 -0.57 3.38 0.00 -1.40 -0.27 119.26 122.42 3m83 h ALA 311 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m83 h ALA 311 Cb 1.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3m83 h ALA 311 CO 0.09 -0.16 0.34 0.28 0.00 0.00 0.00 179.25 179.79 3m83 h VAL 312 N 0.46 1.17 -0.63 0.00 2.07 -1.40 -2.20 116.25 115.72 3m83 h VAL 312 Ca 0.34 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3m83 h VAL 312 Cb 0.43 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3m83 h VAL 312 CO -0.32 0.18 0.36 -0.33 0.02 0.00 0.00 177.57 177.47 3m83 h GLU 313 N 0.76 0.85 -0.20 1.57 4.39 -1.03 -2.25 114.58 118.68 3m83 h GLU 313 Ca 0.20 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 3m83 h GLU 313 Cb -0.01 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 3m83 h GLU 313 CO -0.04 0.62 -0.25 1.96 -1.16 0.00 0.00 179.01 180.14 3m83 h GLN 314 N 0.87 0.52 -0.44 2.33 4.20 -0.71 -0.47 115.11 121.41 3m83 h GLN 314 Ca 0.22 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3m83 h GLN 314 Cb 0.00 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3m83 h GLN 314 CO -0.04 0.88 0.28 0.28 -0.67 0.00 0.00 178.83 179.57 3m83 h VAL 315 N 0.19 1.12 -0.63 -0.54 2.07 -1.31 -1.77 116.25 115.38 3m83 h VAL 315 Ca 0.03 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3m83 h VAL 315 Cb 0.81 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3m83 h VAL 315 CO 0.06 0.12 0.19 0.11 0.02 0.00 0.00 177.57 178.06 3m83 h LYS 316 N 0.59 0.98 -0.23 1.57 1.57 -1.39 -1.96 116.57 117.69 3m83 h LYS 316 Ca 0.16 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3m83 h LYS 316 Cb -0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3m83 h LYS 316 CO -0.03 0.87 0.14 0.35 -0.57 0.00 0.00 179.45 180.20 3m83 h PHE 317 N 0.90 0.25 -0.38 -1.35 3.57 -0.89 -2.31 116.94 116.74 3m83 h PHE 317 Ca 0.20 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.55 3m83 h PHE 317 Cb 0.30 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3m83 h PHE 317 CO 0.02 0.15 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.80 3m83 h LEU 318 N 0.28 0.97 -0.23 0.59 3.38 -1.26 -1.42 115.31 117.61 3m83 h LEU 318 Ca 0.09 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.65 3m83 h LEU 318 Cb -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3m83 h LEU 318 CO -0.04 1.23 0.06 0.50 0.09 0.00 0.00 178.44 180.28 3m83 h LYS 319 N 0.74 0.16 -0.48 1.13 3.64 -1.29 -1.04 116.57 119.44 3m83 h LYS 319 Ca 0.06 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3m83 h LYS 319 Cb 0.97 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3m83 h LYS 319 CO 0.09 0.10 0.16 -0.22 -2.27 0.00 0.00 179.45 177.31 3m83 h LYS 320 N 0.16 0.73 -0.34 1.90 3.64 -1.39 -2.43 116.57 118.84 3m83 h LYS 320 Ca 0.10 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3m83 h LYS 320 Cb 0.08 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3m83 h LYS 320 CO -0.12 0.69 0.20 1.25 -2.27 0.00 0.00 179.45 179.20 3m83 h LEU 321 N 0.63 0.42 -0.17 5.20 5.85 -1.01 -2.93 115.31 123.31 3m83 h LEU 321 Ca 0.15 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3m83 h LEU 321 Cb 0.25 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3m83 h LEU 321 CO -0.01 0.36 -0.09 0.49 -0.34 0.00 0.00 178.44 178.86 3m83 n PHE 322 N -4.80 0.00 0.34 1.25 3.72 -0.42 -2.28 117.46 115.28 3m83 n PHE 322 Ca -0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3m83 n PHE 322 Cb 0.06 -0.21 0.24 0.00 -0.94 0.00 0.00 39.48 38.63 3m83 n PHE 322 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3m83 h GLU 323 N 0.41 0.00 0.00 -1.08 5.08 -1.24 -3.51 114.58 114.24 3m83 h GLU 323 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m83 h GLU 323 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3m83 h GLU 323 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64