#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 4.56 0.50 -1.40 0.00 -1.26 -5.06 119.30 116.65 3m83 s MET 1 Ca 0.00 1.39 -0.21 0.00 0.00 0.00 0.00 55.69 56.87 3m83 s MET 1 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 34.83 31.31 3m83 s MET 1 CO 0.00 -0.02 1.13 0.00 0.00 0.00 0.00 175.02 176.13 3m83 s ALA 2 N 0.92 2.83 0.30 4.11 0.00 -1.26 -4.99 121.76 123.68 3m83 s ALA 2 Ca 0.51 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 3m83 s ALA 2 Cb -0.21 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3m83 s ALA 2 CO 0.28 -0.66 1.47 0.12 0.00 0.00 0.00 175.76 176.97 3m83 s PHE 3 N -1.70 2.86 -0.16 0.00 5.36 -1.26 -5.03 117.98 118.05 3m83 s PHE 3 Ca 0.68 1.04 -0.19 0.00 -0.96 0.00 0.00 56.93 57.50 3m83 s PHE 3 Cb -0.25 -3.91 0.05 0.00 -0.34 0.00 0.00 43.02 38.57 3m83 s PHE 3 CO 0.29 -2.87 0.51 -0.59 -1.46 0.00 0.00 175.22 171.10 3m83 s PHE 4 N -0.39 -0.54 0.00 10.12 -0.71 -1.26 -4.95 117.98 120.25 3m83 s PHE 4 Ca 0.58 1.25 0.00 0.00 -1.04 0.00 0.00 56.93 57.71 3m83 s PHE 4 Cb -0.44 0.21 0.00 0.00 -1.21 0.00 0.00 43.02 41.58 3m83 s PHE 4 CO 0.50 -0.32 0.00 -3.47 -1.34 0.00 0.00 175.22 170.59 3m83 n ASP 5 N 2.43 1.37 -4.64 1.98 -0.08 -1.26 -5.09 116.55 111.25 3m83 n ASP 5 Ca -0.15 -0.45 -0.39 0.00 -1.51 0.00 0.00 54.79 52.30 3m83 n ASP 5 Cb 0.56 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.07 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 3.83 -4.71 -2.67 4.77 -1.26 -4.95 117.00 112.00 3m83 n LEU 6 Ca 0.00 0.89 -0.36 0.00 -0.03 0.00 0.00 56.01 56.51 3m83 n LEU 6 Cb 0.00 -1.42 0.09 0.00 -2.33 0.00 0.00 43.42 39.76 3m83 n LEU 6 CO 0.00 -1.51 0.85 -2.65 -1.33 0.00 0.00 177.39 172.75 3m83 n PRO 7 N -0.75 0.79 -0.36 3.23 -0.02 -1.26 -4.65 135.00 131.98 3m83 n PRO 7 Ca 0.12 0.33 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 3m83 n PRO 7 Cb 0.45 -2.50 0.24 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.03 0.93 -1.26 2.45 5.85 -1.99 0.04 115.31 121.37 3m83 h LEU 8 Ca -0.49 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 3m83 h LEU 8 Cb 1.33 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3m83 h LEU 8 CO 0.50 0.49 0.19 -0.33 -0.34 0.00 0.00 178.44 178.96 3m83 h GLU 9 N 0.99 0.70 -0.13 1.25 4.39 -2.00 -1.26 114.58 118.53 3m83 h GLU 9 Ca 0.50 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.97 3m83 h GLU 9 Cb 0.49 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3m83 h GLU 9 CO -0.27 0.58 -0.41 0.93 -1.16 0.00 0.00 179.01 178.69 3m83 h GLU 10 N 0.70 0.50 -0.77 2.33 5.08 -1.55 -3.27 114.58 117.60 3m83 h GLU 10 Ca 0.17 -0.37 0.14 0.00 -1.00 0.00 0.00 59.36 58.29 3m83 h GLU 10 Cb 0.15 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.37 3m83 h GLU 10 CO -0.02 0.99 0.34 -0.07 -1.00 0.00 0.00 179.01 179.26 3m83 h LEU 11 N 0.11 0.37 -2.56 1.33 3.38 -0.72 -1.48 115.31 115.73 3m83 h LEU 11 Ca -0.01 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3m83 h LEU 11 Cb 1.03 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3m83 h LEU 11 CO 0.09 0.16 -0.02 0.11 0.09 0.00 0.00 178.44 178.87 3m83 h LYS 12 N 0.51 0.00 -0.16 1.13 1.57 -1.29 -2.22 116.57 116.11 3m83 h LYS 12 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3m83 h LYS 12 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3m83 h LYS 12 CO -0.37 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.15 3m83 n LYS 13 N -3.32 1.79 -2.40 3.15 5.02 -0.72 -5.00 118.16 116.69 3m83 n LYS 13 Ca -0.02 -1.56 -0.42 0.00 -2.02 0.00 0.00 58.31 54.29 3m83 n LYS 13 Cb 0.12 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 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 -0.89 2.40 -0.52 2.13 5.04 -0.64 -4.92 117.35 119.96 3m83 s TYR 14 Ca 0.15 0.58 0.04 0.00 -2.44 0.00 0.00 57.07 55.41 3m83 s TYR 14 Cb 0.09 -4.37 0.17 0.00 0.35 0.00 0.00 41.96 38.20 3m83 s TYR 14 CO 0.12 -1.88 0.41 0.54 -1.34 0.00 0.00 175.55 173.39 3m83 n ARG 15 N 8.32 0.81 -1.66 4.97 1.74 -1.26 -4.29 116.66 125.28 3m83 n ARG 15 Ca 0.14 -3.65 -0.33 0.00 -0.77 0.00 0.00 57.85 53.24 3m83 n ARG 15 Cb 0.49 -1.88 0.06 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.55 2.65 0.24 5.56 0.04 -1.26 -4.93 135.00 136.75 3m83 s PRO 16 Ca 0.30 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 3m83 s PRO 16 Cb 0.02 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 3m83 s PRO 16 CO -0.18 -1.37 1.69 -2.00 0.04 0.00 0.00 177.00 175.17 3m83 s GLU 17 N -4.14 4.12 0.22 4.56 2.12 -1.26 -4.96 118.70 119.35 3m83 s GLU 17 Ca 0.67 2.61 -0.20 0.00 0.36 0.00 0.00 54.97 58.42 3m83 s GLU 17 Cb -0.21 -3.05 -0.08 0.00 0.26 0.00 0.00 34.13 31.04 3m83 s GLU 17 CO 0.43 -0.72 0.72 1.03 -0.54 0.00 0.00 175.26 176.18 3m83 s ARG 18 N 0.59 4.26 -0.16 4.30 0.52 -1.26 -5.06 118.95 122.14 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 -2.90 0.03 0.00 0.52 0.00 0.00 34.95 32.10 3m83 s ARG 18 CO 0.38 0.40 -0.15 -0.47 0.02 0.00 0.00 175.30 175.49 3m83 s TYR 19 N -1.50 2.33 0.05 -0.53 5.04 -1.26 -5.11 117.35 116.36 3m83 s TYR 19 Ca 0.42 -1.37 -0.07 0.00 -2.44 0.00 0.00 57.07 53.62 3m83 s TYR 19 Cb -0.17 -1.66 -0.00 0.00 0.35 0.00 0.00 41.96 40.47 3m83 s TYR 19 CO 0.21 -0.71 0.14 -1.83 -1.34 0.00 0.00 175.55 172.03 3m83 s GLU 20 N 1.43 0.67 0.59 4.97 -1.05 -1.26 -4.81 118.70 119.25 3m83 s GLU 20 Ca 0.04 -0.76 -0.14 0.00 -0.15 0.00 0.00 54.97 53.96 3m83 s GLU 20 Cb -0.13 0.27 -0.05 0.00 -0.44 0.00 0.00 34.13 33.78 3m83 s GLU 20 CO -0.11 -0.19 1.02 -1.21 0.95 0.00 0.00 175.26 175.73 3m83 s GLU 21 N -2.86 3.56 0.29 -4.83 0.41 -1.26 -4.95 118.70 109.06 3m83 s GLU 21 Ca -0.03 0.95 0.03 0.00 -0.41 0.00 0.00 54.97 55.51 3m83 s GLU 21 Cb 0.00 -2.08 0.62 0.00 -1.78 0.00 0.00 34.13 30.90 3m83 s GLU 21 CO -0.06 -0.60 1.81 0.87 -0.49 0.00 0.00 175.26 176.80 3m83 h LYS 22 N 0.23 0.88 -0.85 1.61 1.57 -2.04 -2.45 116.57 115.53 3m83 h LYS 22 Ca -0.46 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.18 3m83 h LYS 22 Cb 1.20 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 3m83 h LYS 22 CO 0.60 0.58 0.12 -0.40 -0.57 0.00 0.00 179.45 179.78 3m83 n ASP 23 N -4.68 3.54 -0.04 0.86 5.75 -1.26 -4.57 116.55 116.16 3m83 n ASP 23 Ca 0.21 -2.63 -0.08 0.00 -0.01 0.00 0.00 54.79 52.27 3m83 n ASP 23 Cb 0.43 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 39.88 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 1.66 -0.51 -0.47 2.11 3.04 -1.82 0.27 116.94 121.22 3m83 h PHE 24 Ca 0.11 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.00 3m83 h PHE 24 Cb 1.54 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 40.30 3m83 h PHE 24 CO 0.69 -0.27 -0.06 -0.44 -2.02 0.00 0.00 178.31 176.21 3m83 h ASP 25 N -0.21 0.87 -0.71 0.41 3.32 -1.87 -2.64 116.42 115.60 3m83 h ASP 25 Ca 0.13 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 3m83 h ASP 25 Cb 0.40 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3m83 h ASP 25 CO -0.33 1.00 0.25 -0.33 -1.72 0.00 0.00 179.24 178.11 3m83 h GLU 26 N 0.73 1.10 -0.26 3.56 3.07 -1.84 0.56 114.58 121.50 3m83 h GLU 26 Ca 0.13 -0.22 0.05 0.00 -0.50 0.00 0.00 59.36 58.82 3m83 h GLU 26 Cb 0.59 -0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 28.29 3m83 h GLU 26 CO 0.04 0.92 -0.04 0.35 -1.40 0.00 0.00 179.01 178.88 3m83 h PHE 27 N 1.06 -0.09 -0.20 4.33 3.57 -0.85 -1.30 116.94 123.47 3m83 h PHE 27 Ca 0.24 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.56 3m83 h PHE 27 Cb 0.27 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3m83 h PHE 27 CO 0.02 -0.09 -0.66 -1.49 -2.23 0.00 0.00 178.31 173.86 3m83 h TRP 28 N 0.03 0.98 -0.38 0.41 4.06 -1.15 -1.31 115.95 118.58 3m83 h TRP 28 Ca 0.13 -0.39 0.01 0.00 2.06 0.00 0.00 58.89 60.70 3m83 h TRP 28 Cb 0.18 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 3m83 h TRP 28 CO -0.24 1.20 0.23 0.93 -3.56 0.00 0.00 178.44 177.01 3m83 h GLU 29 N 0.54 0.46 -0.31 0.49 5.08 -0.87 -0.74 114.58 119.23 3m83 h GLU 29 Ca -0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3m83 h GLU 29 Cb 1.27 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3m83 h GLU 29 CO 0.14 0.30 0.03 0.93 -1.00 0.00 0.00 179.01 179.41 3m83 h GLU 30 N 0.47 0.53 0.04 2.33 5.08 -1.21 -1.25 114.58 120.57 3m83 h GLU 30 Ca 0.15 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3m83 h GLU 30 Cb -0.02 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3m83 h GLU 30 CO -0.06 0.65 -0.20 1.15 -1.00 0.00 0.00 179.01 179.55 3m83 h THR 31 N 0.34 0.53 -0.65 1.13 2.02 -1.01 -1.12 112.91 114.14 3m83 h THR 31 Ca 0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 3m83 h THR 31 Cb 0.39 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3m83 h THR 31 CO 0.01 0.00 0.11 -0.07 0.37 0.00 0.00 175.52 175.94 3m83 h LEU 32 N -0.35 1.03 -0.58 2.58 3.38 -1.13 -2.64 115.31 117.60 3m83 h LEU 32 Ca 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3m83 h LEU 32 Cb 0.40 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3m83 h LEU 32 CO -0.16 1.03 0.26 0.00 0.09 0.00 0.00 178.44 179.66 3m83 h ALA 33 N 1.04 0.75 -0.80 1.53 0.00 -1.09 -0.95 119.26 119.76 3m83 h ALA 33 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3m83 h ALA 33 Cb 0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3m83 h ALA 33 CO 0.01 0.33 0.42 0.93 0.00 0.00 0.00 179.25 180.95 3m83 h GLU 34 N 0.80 1.11 -0.00 0.00 5.08 -1.11 -2.95 114.58 117.51 3m83 h GLU 34 Ca 0.20 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 3m83 h GLU 34 Cb 0.15 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3m83 h GLU 34 CO -0.02 0.83 -0.81 0.77 -1.00 0.00 0.00 179.01 178.78 3m83 h SER 35 N 1.12 0.10 0.74 1.42 0.02 -1.21 -3.17 113.55 112.57 3m83 h SER 35 Ca 0.28 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3m83 h SER 35 Cb 0.05 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3m83 h SER 35 CO -0.04 0.86 0.00 -0.33 -1.14 0.00 0.00 176.83 176.18 3m83 h GLU 36 N 0.05 0.00 0.00 3.45 5.08 -1.01 -2.76 114.58 119.38 3m83 h GLU 36 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3m83 h GLU 36 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3m83 h GLU 36 CO 0.11 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.99 3m83 h LYS 37 N 0.00 0.00 -5.82 2.33 1.57 -1.50 -3.42 116.57 109.74 3m83 h LYS 37 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 3m83 h LYS 37 Cb 0.37 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 3m83 h LYS 37 CO 0.00 0.00 -0.36 -0.06 -0.57 0.00 0.00 179.45 178.46 3m83 s PHE 38 N -3.47 3.65 0.48 -1.35 0.40 -1.04 -5.07 117.98 111.57 3m83 s PHE 38 Ca 0.02 0.73 -0.23 0.00 -0.60 0.00 0.00 56.93 56.84 3m83 s PHE 38 Cb 0.09 -2.09 -0.07 0.00 0.51 0.00 0.00 43.02 41.46 3m83 s PHE 38 CO 0.39 0.69 1.29 -1.25 0.70 0.00 0.00 175.22 177.04 3m83 s PRO 39 N -1.11 3.57 0.26 0.24 0.04 -1.26 -4.91 135.00 131.83 3m83 s PRO 39 Ca 0.20 2.08 -0.04 0.00 0.04 0.00 0.00 61.00 63.27 3m83 s PRO 39 Cb -0.14 -2.45 0.33 0.00 0.04 0.00 0.00 34.50 32.27 3m83 s PRO 39 CO 0.09 -0.79 1.90 1.25 0.04 0.00 0.00 177.00 179.48 3m83 h LEU 40 N 2.00 1.02 -2.84 -3.56 5.85 -1.91 -3.42 115.31 112.44 3m83 h LEU 40 Ca -0.50 -0.07 -0.53 0.00 0.84 0.00 0.00 57.88 57.61 3m83 h LEU 40 Cb 1.27 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3m83 h LEU 40 CO 0.60 0.80 -0.95 0.47 -0.34 0.00 0.00 178.44 179.02 3m83 n ASP 41 N -4.35 -2.45 -4.75 1.25 8.00 -1.26 -0.90 116.55 112.10 3m83 n ASP 41 Ca 0.09 -1.14 -0.41 0.00 0.71 0.00 0.00 54.79 54.04 3m83 n ASP 41 Cb 0.08 -2.49 -0.03 0.00 -0.02 0.00 0.00 41.12 38.66 3m83 n ASP 41 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3m83 s PRO 42 N -6.80 4.37 -0.11 -0.24 0.04 -1.26 -4.51 135.00 126.50 3m83 s PRO 42 Ca 0.26 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.43 3m83 s PRO 42 Cb -0.12 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.29 3m83 s PRO 42 CO 0.93 -0.24 -0.12 0.08 0.04 0.00 0.00 177.00 177.68 3m83 s VAL 43 N -0.28 1.29 -0.17 -0.36 1.01 0.41 -5.01 120.40 117.30 3m83 s VAL 43 Ca 0.55 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3m83 s VAL 43 Cb -0.38 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 34.80 3m83 s VAL 43 CO 0.43 0.40 -0.19 -0.36 0.00 0.00 0.00 175.10 175.38 3m83 s PHE 44 N 1.21 2.76 -0.17 5.22 0.08 -1.26 -1.55 117.98 124.27 3m83 s PHE 44 Ca -0.03 -1.49 0.00 0.00 0.12 0.00 0.00 56.93 55.54 3m83 s PHE 44 Cb -0.14 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 3m83 s PHE 44 CO -0.04 -0.72 -0.11 -2.00 -0.10 0.00 0.00 175.22 172.26 3m83 s GLU 45 N 1.13 1.98 0.24 0.44 2.56 -0.28 -4.96 118.70 119.81 3m83 s GLU 45 Ca 0.01 -0.63 -0.30 0.00 0.00 0.00 0.00 54.97 54.04 3m83 s GLU 45 Cb -0.14 -2.16 -0.10 0.00 2.00 0.00 0.00 34.13 33.73 3m83 s GLU 45 CO -0.08 -0.35 1.41 0.50 -0.56 0.00 0.00 175.26 176.18 3m83 s ARG 46 N 1.50 4.30 0.08 4.30 3.52 -1.26 -0.62 118.95 130.76 3m83 s ARG 46 Ca 0.02 2.25 -0.01 0.00 -0.13 0.00 0.00 55.73 57.85 3m83 s ARG 46 Cb -0.14 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 3m83 s ARG 46 CO -0.09 -0.38 0.26 -1.64 -0.81 0.00 0.00 175.30 172.64 3m83 s MET 47 N -0.37 3.49 -0.07 5.12 -1.94 -0.09 -4.89 119.30 120.55 3m83 s MET 47 Ca 0.58 -0.35 -0.30 0.00 -1.71 0.00 0.00 55.69 53.92 3m83 s MET 47 Cb -0.41 -2.99 -0.03 0.00 2.01 0.00 0.00 34.83 33.42 3m83 s MET 47 CO 0.42 0.57 1.18 -2.00 -0.01 0.00 0.00 175.02 175.19 3m83 s GLU 48 N -2.55 4.35 0.04 2.03 2.12 -1.26 -4.73 118.70 118.70 3m83 s GLU 48 Ca 0.37 1.64 -0.09 0.00 0.36 0.00 0.00 54.97 57.25 3m83 s GLU 48 Cb -0.13 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.69 3m83 s GLU 48 CO 0.27 -0.46 0.18 0.45 -0.54 0.00 0.00 175.26 175.16 3m83 s SER 49 N 1.48 0.06 0.00 -1.70 0.15 -1.26 -5.02 113.70 107.40 3m83 s SER 49 Ca 0.55 -0.40 0.28 0.00 0.70 0.00 0.00 55.95 57.08 3m83 s SER 49 Cb -0.24 0.28 1.00 0.00 -1.71 0.00 0.00 66.02 65.36 3m83 s SER 49 CO 0.21 -0.55 1.75 1.41 1.20 0.00 0.00 173.24 177.26 3m83 n HIS 50 N 0.69 0.00 -1.92 3.44 8.25 -1.26 -4.89 115.22 119.53 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 -0.35 -0.01 0.00 1.12 0.00 0.00 29.99 31.33 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 -2.89 4.36 -0.01 2.41 1.43 -1.26 -4.94 118.68 117.77 3m83 s LEU 51 Ca 0.16 2.90 0.03 0.00 -1.03 0.00 0.00 54.13 56.18 3m83 s LEU 51 Cb 0.19 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3m83 s LEU 51 CO 0.57 -0.76 0.04 0.29 0.23 0.00 0.00 176.35 176.73 3m83 n LYS 52 N 0.88 1.64 0.00 1.70 4.76 -1.26 -4.67 118.16 121.21 3m83 n LYS 52 Ca 0.02 -0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 3m83 n LYS 52 Cb 0.40 -1.07 0.16 0.00 -1.84 0.00 0.00 35.03 32.68 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 -1.83 0.00 -3.87 -0.18 -2.24 -1.26 -4.94 114.28 99.96 3m83 n THR 53 Ca -0.02 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 3m83 n THR 53 Cb 0.31 0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.45 0.03 -0.11 2.28 1.01 -1.26 -1.47 120.40 118.43 3m83 s VAL 54 Ca 0.22 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.79 3m83 s VAL 54 Cb 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.33 3m83 s VAL 54 CO 0.53 -0.14 0.37 -1.61 0.00 0.00 0.00 175.10 174.25 3m83 s GLU 55 N -0.43 4.18 -0.14 2.72 2.02 0.78 -4.82 118.70 123.01 3m83 s GLU 55 Ca -0.05 0.26 -0.02 0.00 0.02 0.00 0.00 54.97 55.19 3m83 s GLU 55 Cb -0.03 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 3m83 s GLU 55 CO 0.00 0.33 -0.09 0.00 0.02 0.00 0.00 175.26 175.52 3m83 s ALA 56 N 0.14 2.77 -0.08 5.21 0.00 -1.26 -0.59 121.76 127.95 3m83 s ALA 56 Ca 0.21 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3m83 s ALA 56 Cb -0.14 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 3m83 s ALA 56 CO 0.08 0.20 -0.19 0.71 0.00 0.00 0.00 175.76 176.56 3m83 s TYR 57 N 0.42 2.62 -0.00 0.00 1.51 0.38 -0.91 117.35 121.37 3m83 s TYR 57 Ca -0.08 -0.60 -0.30 0.00 -1.01 0.00 0.00 57.07 55.08 3m83 s TYR 57 Cb -0.15 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 3m83 s TYR 57 CO 0.04 -0.14 1.40 0.34 -1.11 0.00 0.00 175.55 176.08 3m83 s ASP 58 N -0.09 6.85 -0.04 2.29 2.15 0.21 -1.04 116.67 127.00 3m83 s ASP 58 Ca -0.04 2.11 0.01 0.00 0.43 0.00 0.00 52.55 55.07 3m83 s ASP 58 Cb -0.14 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 3m83 s ASP 58 CO 0.04 -0.72 -0.06 -0.69 -0.17 0.00 0.00 175.17 173.57 3m83 s VAL 59 N 2.42 3.77 -0.02 1.11 1.01 -0.63 -1.13 120.40 126.94 3m83 s VAL 59 Ca 0.64 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.06 3m83 s VAL 59 Cb -0.31 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3m83 s VAL 59 CO 0.26 0.51 -0.03 -0.89 0.00 0.00 0.00 175.10 174.96 3m83 s THR 60 N -0.90 0.32 0.14 3.92 2.01 -0.59 -1.72 115.64 118.82 3m83 s THR 60 Ca 0.15 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.99 3m83 s THR 60 Cb -0.11 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 3m83 s THR 60 CO 0.04 0.14 0.24 0.72 -0.69 0.00 0.00 174.62 175.07 3m83 s PHE 61 N 0.50 0.39 -0.28 4.92 -0.71 -0.70 -0.45 117.98 121.66 3m83 s PHE 61 Ca -0.05 -0.77 -0.20 0.00 -1.04 0.00 0.00 56.93 54.87 3m83 s PHE 61 Cb -0.09 -0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.61 3m83 s PHE 61 CO -0.01 -0.66 0.60 -1.12 -1.34 0.00 0.00 175.22 172.70 3m83 s SER 62 N -2.95 6.51 0.00 1.98 0.01 -0.07 -0.39 113.70 118.78 3m83 s SER 62 Ca 0.15 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.96 3m83 s SER 62 Cb 0.04 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.95 3m83 s SER 62 CO -0.02 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.84 3m83 n GLY 63 N 4.32 0.42 3.69 3.44 0.00 0.33 -4.80 105.19 112.59 3m83 n GLY 63 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 2.72 2.48 -1.58 1.61 5.04 -1.26 -3.71 117.35 122.65 3m83 s TYR 64 Ca 0.00 0.38 -0.06 0.00 -2.44 0.00 0.00 57.07 54.95 3m83 s TYR 64 Cb 0.00 -3.93 0.05 0.00 0.35 0.00 0.00 41.96 38.43 3m83 s TYR 64 CO 0.00 -3.70 0.29 0.54 -1.34 0.00 0.00 175.55 171.33 3m83 n ARG 65 N 5.54 -1.78 -0.95 4.97 1.74 -1.26 -1.29 116.66 123.62 3m83 n ARG 65 Ca 0.15 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 3m83 n ARG 65 Cb 0.41 -4.17 0.00 0.00 -1.02 0.00 0.00 32.46 27.68 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 -2.07 0.50 3.75 -0.13 0.00 -1.24 -4.98 105.19 101.01 3m83 n GLY 66 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.43 4.67 -0.31 1.61 -0.21 -0.42 -4.68 119.66 119.89 3m83 s GLN 67 Ca 0.00 1.73 -0.23 0.00 0.02 0.00 0.00 55.36 56.88 3m83 s GLN 67 Cb 0.00 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.79 3m83 s GLN 67 CO 0.00 0.23 0.78 1.03 -2.12 0.00 0.00 175.29 175.21 3m83 s ARG 68 N -1.14 3.94 -0.11 2.91 1.81 -1.26 -0.52 118.95 124.58 3m83 s ARG 68 Ca 0.45 0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 55.00 3m83 s ARG 68 Cb -0.30 -3.73 -0.03 0.00 -0.45 0.00 0.00 34.95 30.43 3m83 s ARG 68 CO 0.38 -0.69 -0.06 0.42 -0.68 0.00 0.00 175.30 174.67 3m83 s ILE 69 N 2.95 3.74 0.58 1.52 -1.09 0.47 -4.84 121.20 124.53 3m83 s ILE 69 Ca 0.32 -0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 58.25 3m83 s ILE 69 Cb -0.14 -2.57 0.01 0.00 -1.58 0.00 0.00 42.46 38.18 3m83 s ILE 69 CO 0.13 0.55 0.87 -0.54 -1.23 0.00 0.00 174.94 174.72 3m83 s LYS 70 N -0.28 2.86 0.10 2.79 -0.14 -1.26 -1.72 119.74 122.09 3m83 s LYS 70 Ca 0.04 -0.14 -0.25 0.00 -1.36 0.00 0.00 55.97 54.26 3m83 s LYS 70 Cb -0.13 -2.32 0.08 0.00 -1.68 0.00 0.00 37.83 33.79 3m83 s LYS 70 CO 0.02 -0.68 1.14 0.20 -0.76 0.00 0.00 175.35 175.27 3m83 s GLY 71 N -4.32 0.00 0.06 -3.33 0.00 -0.70 -2.02 107.32 97.02 3m83 s GLY 71 Ca 0.54 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 45.18 3m83 s GLY 71 CO 0.44 3.45 -0.22 -0.98 0.00 0.00 0.00 173.10 175.78 3m83 s TRP 72 N -2.15 1.93 -0.13 1.90 0.23 -0.59 -1.60 118.94 118.53 3m83 s TRP 72 Ca 0.24 -0.39 0.02 0.00 -2.03 0.00 0.00 56.10 53.95 3m83 s TRP 72 Cb -0.02 -1.13 0.01 0.00 0.03 0.00 0.00 33.47 32.37 3m83 s TRP 72 CO 0.03 0.13 -0.20 -1.17 0.96 0.00 0.00 176.95 176.70 3m83 s LEU 73 N -1.38 2.01 -0.25 2.99 2.96 -0.20 -0.57 118.68 124.25 3m83 s LEU 73 Ca 0.08 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.40 3m83 s LEU 73 Cb -0.09 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.25 3m83 s LEU 73 CO 0.03 0.06 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.33 3m83 s LEU 74 N 0.86 3.17 -0.29 -0.68 1.02 -0.11 -0.47 118.68 122.18 3m83 s LEU 74 Ca -0.07 -0.68 0.00 0.00 0.02 0.00 0.00 54.13 53.41 3m83 s LEU 74 Cb -0.15 -1.72 0.06 0.00 0.02 0.00 0.00 46.19 44.40 3m83 s LEU 74 CO -0.02 -0.10 -0.03 -0.69 0.02 0.00 0.00 176.35 175.54 3m83 s VAL 75 N 1.41 2.66 0.43 -1.59 1.01 0.25 -1.37 120.40 123.20 3m83 s VAL 75 Ca 0.03 -1.58 -0.25 0.00 0.00 0.00 0.00 61.98 60.18 3m83 s VAL 75 Cb -0.16 -2.59 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 3m83 s VAL 75 CO -0.03 -0.14 1.25 -2.16 0.00 0.00 0.00 175.10 174.02 3m83 s PRO 76 N 1.17 3.84 -0.94 2.72 0.04 -1.26 -0.15 135.00 140.41 3m83 s PRO 76 Ca -0.05 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.79 3m83 s PRO 76 Cb -0.20 -2.61 0.07 0.00 0.04 0.00 0.00 34.50 31.80 3m83 s PRO 76 CO -0.03 -0.55 1.33 0.15 0.04 0.00 0.00 177.00 177.93 3m83 s LYS 77 N -2.42 3.52 0.15 4.56 1.02 -0.54 -4.86 119.74 121.16 3m83 s LYS 77 Ca 0.60 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 55.50 3m83 s LYS 77 Cb -0.35 -5.05 -0.04 0.00 -0.52 0.00 0.00 37.83 31.87 3m83 s LYS 77 CO 0.44 -2.08 -0.12 -0.51 -0.92 0.00 0.00 175.35 172.16 3m83 s LEU 78 N 4.49 2.51 0.28 3.17 1.43 -1.26 -5.00 118.68 124.30 3m83 s LEU 78 Ca 0.40 -0.97 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3m83 s LEU 78 Cb -0.03 -0.45 0.39 0.00 0.03 0.00 0.00 46.19 46.13 3m83 s LEU 78 CO -0.06 -0.26 1.67 -0.33 0.23 0.00 0.00 176.35 177.60 3m83 h GLU 79 N 2.91 0.31 -6.67 1.70 5.08 -2.03 -3.45 114.58 112.43 3m83 h GLU 79 Ca -0.37 -0.15 -0.57 0.00 -1.00 0.00 0.00 59.36 57.26 3m83 h GLU 79 Cb 1.20 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.54 3m83 h GLU 79 CO 0.60 0.68 0.63 -1.91 -1.00 0.00 0.00 179.01 178.02 3m83 n GLU 80 N -4.01 2.19 0.09 2.33 2.13 -1.26 -4.92 120.64 117.19 3m83 n GLU 80 Ca -0.02 0.78 -0.14 0.00 0.66 0.00 0.00 57.16 58.44 3m83 n GLU 80 Cb 0.50 -2.44 -0.14 0.00 0.27 0.00 0.00 31.44 29.63 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 3.83 0.22 -5.66 5.31 3.07 -1.94 -3.43 114.58 115.98 3m83 h GLU 81 Ca -0.46 -0.38 -0.67 0.00 -0.50 0.00 0.00 59.36 57.35 3m83 h GLU 81 Cb 1.27 0.14 -0.32 0.00 -0.84 0.00 0.00 28.75 29.00 3m83 h GLU 81 CO 0.72 1.18 -0.88 0.15 -1.40 0.00 0.00 179.01 178.78 3m83 s LYS 82 N -2.66 2.63 0.15 2.33 -0.14 -1.26 -4.63 119.74 116.16 3m83 s LYS 82 Ca -0.03 -0.85 0.11 0.00 -1.36 0.00 0.00 55.97 53.83 3m83 s LYS 82 Cb 0.08 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 3m83 s LYS 82 CO 0.87 0.29 -0.23 -0.51 -0.76 0.00 0.00 175.35 175.01 3m83 s LEU 83 N 0.06 2.48 0.90 3.17 1.43 0.70 -4.78 118.68 122.64 3m83 s LEU 83 Ca -0.09 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 3m83 s LEU 83 Cb -0.15 -1.31 0.13 0.00 0.03 0.00 0.00 46.19 44.89 3m83 s LEU 83 CO 0.05 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 175.72 3m83 s PRO 84 N -2.30 1.23 -0.04 1.29 0.04 -1.26 -0.31 135.00 133.65 3m83 s PRO 84 Ca 0.17 0.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 3m83 s PRO 84 Cb -0.09 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.67 3m83 s PRO 84 CO 0.09 -2.26 0.09 0.00 0.04 0.00 0.00 177.00 174.96 3m83 s VAL 86 N 0.94 4.31 -0.39 0.00 1.01 0.44 -0.07 120.40 126.64 3m83 s VAL 86 Ca -0.07 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 3m83 s VAL 86 Cb -0.10 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.28 3m83 s VAL 86 CO -0.04 0.34 0.76 -0.69 0.00 0.00 0.00 175.10 175.47 3m83 s VAL 87 N 1.59 4.73 -0.26 2.92 1.01 0.23 -1.04 120.40 129.60 3m83 s VAL 87 Ca 0.06 0.67 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 3m83 s VAL 87 Cb -0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3m83 s VAL 87 CO 0.04 -0.51 0.13 -1.58 0.00 0.00 0.00 175.10 173.18 3m83 s GLN 88 N 3.09 3.84 0.15 2.72 2.00 0.75 -0.85 119.66 131.35 3m83 s GLN 88 Ca 0.29 -0.38 0.03 0.00 -2.00 0.00 0.00 55.36 53.30 3m83 s GLN 88 Cb -0.13 -3.47 -0.04 0.00 0.80 0.00 0.00 33.01 30.17 3m83 s GLN 88 CO 0.18 -0.13 0.27 0.71 -0.50 0.00 0.00 175.29 175.83 3m83 s TYR 89 N 1.53 3.46 0.04 1.67 2.02 -0.39 -1.96 117.35 123.72 3m83 s TYR 89 Ca 0.06 0.10 0.06 0.00 -0.37 0.00 0.00 57.07 56.93 3m83 s TYR 89 Cb -0.15 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3m83 s TYR 89 CO 0.07 0.52 -0.14 0.42 -1.57 0.00 0.00 175.55 174.84 3m83 s ILE 90 N -1.74 3.09 0.89 2.71 1.01 -1.26 -4.48 121.20 121.41 3m83 s ILE 90 Ca 0.34 -1.10 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 3m83 s ILE 90 Cb -0.11 -2.33 0.13 0.00 0.01 0.00 0.00 42.46 40.15 3m83 s ILE 90 CO 0.28 0.32 1.10 -0.83 0.00 0.00 0.00 174.94 175.80 3m83 s GLY 91 N -1.55 1.64 0.23 6.18 0.00 -1.26 -3.16 107.32 109.39 3m83 s GLY 91 Ca 0.16 0.13 -0.31 0.00 0.00 0.00 0.00 44.72 44.70 3m83 s GLY 91 CO 0.07 0.59 1.37 2.98 0.00 0.00 0.00 173.10 178.11 3m83 n TYR 92 N -3.95 2.02 -1.16 1.90 9.36 -1.26 -1.46 117.16 122.61 3m83 n TYR 92 Ca 0.08 0.47 -0.05 0.00 3.32 0.00 0.00 57.90 61.72 3m83 n TYR 92 Cb 0.54 -2.43 -0.02 0.00 -0.63 0.00 0.00 39.34 36.80 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 2.13 -4.56 -4.86 2.98 3.02 -1.26 -4.86 115.26 107.85 3m83 n ASN 93 Ca 0.12 0.14 -0.22 0.00 -0.03 0.00 0.00 54.58 54.59 3m83 n ASN 93 Cb 0.30 -2.54 -0.03 0.00 -0.61 0.00 0.00 39.78 36.90 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 -2.41 2.18 0.11 7.41 0.00 -0.54 -0.97 107.32 113.11 3m83 s GLY 94 Ca 0.00 -1.88 -0.01 0.00 0.00 0.00 0.00 44.72 42.83 3m83 s GLY 94 CO 0.00 -1.75 0.17 0.61 0.00 0.00 0.00 173.10 172.14 3m83 n GLY 95 N -1.54 2.63 0.18 0.20 0.00 -0.87 -1.67 105.19 104.13 3m83 n GLY 95 Ca 0.03 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.84 -3.43 114.38 110.83 3m83 h ARG 96 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3m83 h ARG 96 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3m83 h ARG 96 CO 0.12 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.60 3m83 n GLY 97 N -0.48 2.91 3.74 0.08 0.00 0.25 -4.64 105.19 107.05 3m83 n GLY 97 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 3.01 0.34 1.61 0.08 -1.26 -4.96 117.98 116.81 3m83 s PHE 98 Ca 0.00 -0.07 0.09 0.00 0.12 0.00 0.00 56.93 57.07 3m83 s PHE 98 Cb 0.00 -1.45 0.81 0.00 -0.57 0.00 0.00 43.02 41.81 3m83 s PHE 98 CO 0.00 0.52 1.83 -1.35 -0.10 0.00 0.00 175.22 176.12 3m83 h PRO 99 N 2.55 0.68 0.00 0.24 0.11 -2.00 -1.28 132.00 132.31 3m83 h PRO 99 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m83 h PRO 99 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3m83 h PRO 99 CO 0.61 0.45 0.00 -2.39 -0.21 0.00 0.00 178.00 176.46 3m83 n HIS 100 N -4.62 0.00 1.37 0.65 1.44 -1.26 -2.33 115.22 110.47 3m83 n HIS 100 Ca 0.20 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 56.06 3m83 n HIS 100 Cb 0.54 -0.13 0.72 0.00 0.12 0.00 0.00 29.99 31.24 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 -1.13 0.04 -2.47 4.39 8.00 -0.48 -4.25 116.55 120.65 3m83 n ASP 101 Ca 0.09 -0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3m83 n ASP 101 Cb 0.08 -0.29 0.03 0.00 -0.02 0.00 0.00 41.12 40.93 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 1.97 0.65 1.24 7.02 -0.98 -4.89 117.44 121.15 3m83 n TRP 102 Ca 0.13 -2.25 0.13 0.00 -1.02 0.00 0.00 57.50 54.49 3m83 n TRP 102 Cb 0.26 -0.28 0.42 0.00 -2.42 0.00 0.00 31.31 29.30 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 -0.61 0.75 0.37 -0.99 4.77 -1.26 -4.32 117.00 115.70 3m83 n LEU 103 Ca 0.24 0.57 -0.17 0.00 -0.03 0.00 0.00 56.01 56.62 3m83 n LEU 103 Cb 0.87 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 3m83 n LEU 103 CO 0.23 -0.18 0.53 0.15 -1.33 0.00 0.00 177.39 176.79 3m83 h PHE 104 N 0.00 -1.15 -0.32 -1.77 3.57 -1.95 -1.79 116.94 113.54 3m83 h PHE 104 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3m83 h PHE 104 Cb 0.71 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 3m83 h PHE 104 CO 0.00 -0.64 0.19 -1.49 -2.23 0.00 0.00 178.31 174.14 3m83 h TRP 105 N -1.05 0.42 -0.97 0.41 4.06 -1.89 -2.31 115.95 114.62 3m83 h TRP 105 Ca -0.09 0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.01 3m83 h TRP 105 Cb 0.84 -0.14 -0.10 0.00 -1.00 0.00 0.00 29.16 28.77 3m83 h TRP 105 CO -0.08 0.30 0.59 -1.35 -3.56 0.00 0.00 178.44 174.33 3m83 h PRO 106 N 0.41 0.80 0.00 0.49 0.11 -1.51 -0.91 132.00 131.39 3m83 h PRO 106 Ca 0.11 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3m83 h PRO 106 Cb 0.00 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 3m83 h PRO 106 CO -0.02 0.53 -0.15 0.77 -0.21 0.00 0.00 178.00 178.92 3m83 h SER 107 N 0.83 0.00 -0.23 -2.05 0.02 -0.80 -0.87 113.55 110.44 3m83 h SER 107 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 3m83 h SER 107 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3m83 h SER 107 CO -0.33 0.15 0.00 0.23 -1.14 0.00 0.00 176.83 175.74 3m83 n MET 108 N -3.60 1.81 -0.69 3.45 2.81 -0.46 -4.93 117.12 115.51 3m83 n MET 108 Ca -0.01 -1.24 0.00 0.00 -1.81 0.00 0.00 57.70 54.64 3m83 n MET 108 Cb 0.29 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 1.15 0.64 3.61 3.03 0.00 -0.33 -5.07 105.19 108.21 3m83 n GLY 109 Ca 0.15 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 3.03 0.30 1.61 1.51 -0.54 -4.49 117.35 116.77 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 -1.77 -0.10 0.00 -0.11 0.00 0.00 41.96 39.98 3m83 s TYR 110 CO 0.00 0.33 1.44 0.42 -1.11 0.00 0.00 175.55 176.63 3m83 s ILE 111 N -0.69 2.47 -0.16 2.71 1.01 0.53 -2.39 121.20 124.67 3m83 s ILE 111 Ca 0.11 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.19 3m83 s ILE 111 Cb -0.11 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 39.11 3m83 s ILE 111 CO 0.02 0.08 -0.18 0.00 0.00 0.00 0.00 174.94 174.86 3m83 s PHE 113 N 1.32 3.23 -0.36 0.00 2.19 -0.21 -0.94 117.98 123.22 3m83 s PHE 113 Ca 0.04 -0.73 -0.13 0.00 0.33 0.00 0.00 56.93 56.43 3m83 s PHE 113 Cb -0.13 -2.48 -0.01 0.00 -1.31 0.00 0.00 43.02 39.09 3m83 s PHE 113 CO -0.11 -0.58 0.26 0.08 1.83 0.00 0.00 175.22 176.69 3m83 s VAL 114 N 1.61 5.28 -0.20 3.12 1.01 0.26 -0.18 120.40 131.31 3m83 s VAL 114 Ca 0.04 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 3m83 s VAL 114 Cb -0.19 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3m83 s VAL 114 CO 0.08 -0.08 0.69 -0.32 0.00 0.00 0.00 175.10 175.48 3m83 s MET 115 N 1.72 4.22 0.42 2.72 1.75 -0.83 -1.55 119.30 127.76 3m83 s MET 115 Ca 0.06 0.73 -0.25 0.00 -1.25 0.00 0.00 55.69 54.98 3m83 s MET 115 Cb -0.18 -3.59 -0.08 0.00 2.84 0.00 0.00 34.83 33.82 3m83 s MET 115 CO 0.10 -0.30 1.31 0.34 -0.65 0.00 0.00 175.02 175.83 3m83 s ASP 116 N 1.23 6.17 -0.34 1.11 2.15 -0.85 -4.45 116.67 121.69 3m83 s ASP 116 Ca 0.31 2.67 -0.12 0.00 0.43 0.00 0.00 52.55 55.84 3m83 s ASP 116 Cb -0.16 -2.64 -0.01 0.00 -0.30 0.00 0.00 42.92 39.82 3m83 s ASP 116 CO 0.10 -0.95 0.22 -0.89 -0.17 0.00 0.00 175.17 173.48 3m83 s THR 117 N -1.28 5.04 -0.13 1.71 2.01 -1.26 -4.78 115.64 116.95 3m83 s THR 117 Ca 0.59 -0.35 -0.39 0.00 0.31 0.00 0.00 61.69 61.85 3m83 s THR 117 Cb -0.38 -3.62 -0.16 0.00 0.01 0.00 0.00 72.50 68.35 3m83 s THR 117 CO 0.49 -0.03 1.57 -2.11 -0.69 0.00 0.00 174.62 173.85 3m83 n ARG 118 N 5.07 1.13 -0.17 4.92 1.85 -1.26 -2.55 116.66 125.65 3m83 n ARG 118 Ca -0.13 0.41 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 3m83 n ARG 118 Cb 0.49 -2.08 0.00 0.00 -1.05 0.00 0.00 32.46 29.82 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 3.49 2.44 0.00 2.89 0.00 0.77 -4.58 105.19 110.19 3m83 n GLY 119 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.67 1.61 6.02 -1.06 -4.88 117.38 114.40 3m83 n GLN 120 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 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 -0.50 0.00 1.08 0.00 -0.67 -4.73 105.19 105.36 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 -2.11 0.28 -0.06 1.61 7.64 -1.18 -1.35 113.62 118.45 3m83 n SER 122 Ca -0.16 -1.10 -0.08 0.00 1.01 0.00 0.00 58.87 58.54 3m83 n SER 122 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.39 0.00 0.23 0.00 -0.14 -4.93 105.19 99.90 3m83 n GLY 123 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.16 0.00 -3.73 1.61 4.27 -1.05 -5.04 117.44 109.34 3m83 n TRP 124 Ca -0.13 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.36 3m83 n TRP 124 Cb 0.42 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.26 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 -1.53 0.32 0.55 5.67 2.96 -1.26 -5.03 118.68 120.36 3m83 s LEU 125 Ca 0.00 0.74 -0.18 0.00 -0.22 0.00 0.00 54.13 54.47 3m83 s LEU 125 Cb 0.00 1.17 -0.06 0.00 0.50 0.00 0.00 46.19 47.80 3m83 s LEU 125 CO 0.00 -0.16 1.07 -1.59 -1.32 0.00 0.00 176.35 174.35 3m83 s LYS 126 N 0.86 3.46 0.25 1.98 -2.85 -1.26 -2.04 119.74 120.14 3m83 s LYS 126 Ca -0.05 1.37 0.04 0.00 -1.00 0.00 0.00 55.97 56.32 3m83 s LYS 126 Cb -0.06 -2.04 -0.05 0.00 -2.06 0.00 0.00 37.83 33.61 3m83 s LYS 126 CO -0.06 -0.71 0.00 0.20 0.10 0.00 0.00 175.35 174.88 3m83 s GLY 127 N -2.24 1.66 0.00 0.59 0.00 -0.46 -0.58 107.32 106.28 3m83 s GLY 127 Ca 0.67 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3m83 s GLY 127 CO 0.29 -1.70 0.39 1.22 0.00 0.00 0.00 173.10 173.30 3m83 n ASP 128 N -0.47 0.59 -4.38 1.64 8.00 -1.26 -4.88 116.55 115.78 3m83 n ASP 128 Ca -0.04 -1.15 -0.35 0.00 0.71 0.00 0.00 54.79 53.95 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 -0.15 3.62 0.74 -3.53 2.01 -1.26 -4.91 115.64 112.16 3m83 s THR 129 Ca 0.00 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 3m83 s THR 129 Cb 0.00 -2.63 0.03 0.00 0.01 0.00 0.00 72.50 69.91 3m83 s THR 129 CO 0.00 0.44 1.09 -2.16 -0.69 0.00 0.00 174.62 173.30 3m83 s PRO 130 N 1.11 2.58 0.45 4.92 0.04 -1.26 -0.16 135.00 142.68 3m83 s PRO 130 Ca 0.02 0.59 -0.04 0.00 0.04 0.00 0.00 61.00 61.60 3m83 s PRO 130 Cb -0.15 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3m83 s PRO 130 CO 0.00 -1.26 0.74 0.34 0.04 0.00 0.00 177.00 176.86 3m83 s ASP 131 N -4.12 6.28 -0.32 6.66 2.15 -1.26 -3.91 116.67 122.15 3m83 s ASP 131 Ca 0.59 0.85 -0.02 0.00 0.43 0.00 0.00 52.55 54.40 3m83 s ASP 131 Cb -0.13 -2.21 0.11 0.00 -0.30 0.00 0.00 42.92 40.39 3m83 s ASP 131 CO 0.53 -0.52 0.15 -0.31 -0.17 0.00 0.00 175.17 174.86 3m83 s TYR 132 N -2.64 0.90 0.70 -5.34 1.51 -1.26 -4.94 117.35 106.28 3m83 s TYR 132 Ca 0.46 -1.40 -0.15 0.00 -1.01 0.00 0.00 57.07 54.97 3m83 s TYR 132 Cb -0.10 -1.19 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 3m83 s TYR 132 CO 0.43 -0.84 1.17 -1.25 -1.11 0.00 0.00 175.55 173.95 3m83 s PRO 133 N 1.58 2.42 -1.18 -1.71 0.04 -1.26 -4.94 135.00 129.95 3m83 s PRO 133 Ca 0.12 1.63 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 3m83 s PRO 133 Cb -0.19 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 3m83 s PRO 133 CO -0.22 -1.59 1.92 0.39 0.04 0.00 0.00 177.00 177.54 3m83 n GLU 134 N -2.54 1.70 0.00 4.56 -0.58 -1.26 -4.90 120.64 117.61 3m83 n GLU 134 Ca 0.12 -2.49 0.00 0.00 -0.42 0.00 0.00 57.16 54.37 3m83 n GLU 134 Cb 0.51 -3.68 0.00 0.00 -0.57 0.00 0.00 31.44 27.70 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 5.70 2.26 3.76 0.62 0.00 -1.26 -4.77 105.19 111.49 3m83 n GLY 135 Ca 0.45 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 46.24 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 4.45 -0.65 1.61 0.04 -1.26 -4.99 135.00 134.20 3m83 s PRO 136 Ca 0.00 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 3m83 s PRO 136 Cb 0.00 -3.14 0.15 0.00 0.04 0.00 0.00 34.50 31.54 3m83 s PRO 136 CO 0.00 -0.09 0.66 0.08 0.04 0.00 0.00 177.00 177.69 3m83 s VAL 137 N -0.78 5.18 0.93 -0.36 1.01 -1.26 -5.02 120.40 120.09 3m83 s VAL 137 Ca 0.50 -1.62 -0.11 0.00 0.00 0.00 0.00 61.98 60.76 3m83 s VAL 137 Cb -0.37 -4.44 0.12 0.00 0.00 0.00 0.00 36.38 31.70 3m83 s VAL 137 CO 0.45 -1.02 0.97 0.47 0.00 0.00 0.00 175.10 175.97 3m83 n ASP 138 N 5.30 -0.24 -4.52 3.32 8.00 -1.26 -4.90 116.55 122.25 3m83 n ASP 138 Ca -0.03 0.40 -0.55 0.00 0.71 0.00 0.00 54.79 55.32 3m83 n ASP 138 Cb 0.43 -1.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.05 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 -3.65 0.43 -3.86 -0.24 -0.02 -1.26 -4.78 135.00 121.62 3m83 n PRO 139 Ca 0.11 0.15 -0.09 0.00 -2.02 0.00 0.00 63.50 61.65 3m83 n PRO 139 Cb 0.52 -1.64 -0.07 0.00 -0.02 0.00 0.00 33.50 32.30 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 -0.04 1.02 0.28 -0.52 -2.07 -1.26 -4.86 119.66 112.20 3m83 s GLN 140 Ca 0.84 -1.01 -0.25 0.00 -1.82 0.00 0.00 55.36 53.12 3m83 s GLN 140 Cb -1.10 0.38 -0.09 0.00 -1.09 0.00 0.00 33.01 31.10 3m83 s GLN 140 CO 0.54 -0.36 0.89 -0.47 -1.32 0.00 0.00 175.29 174.57 3m83 s TYR 141 N -3.90 3.73 -0.20 9.60 5.04 -1.26 -4.99 117.35 125.38 3m83 s TYR 141 Ca 0.10 1.71 -0.41 0.00 -2.44 0.00 0.00 57.07 56.02 3m83 s TYR 141 Cb 0.04 -2.86 -0.19 0.00 0.35 0.00 0.00 41.96 39.30 3m83 s TYR 141 CO -0.07 0.29 1.24 -2.30 -1.34 0.00 0.00 175.55 173.37 3m83 n PRO 142 N 0.77 0.00 0.00 4.97 -0.02 -1.26 -4.71 135.00 134.75 3m83 n PRO 142 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3m83 n PRO 142 Cb 0.50 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 2.43 0.36 0.00 -1.23 0.00 -1.26 -4.90 105.19 100.59 3m83 n GLY 143 Ca 0.24 -2.30 0.06 0.00 0.00 0.00 0.00 46.02 44.02 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 0.14 0.00 0.22 1.61 3.72 -1.26 -4.52 117.46 117.38 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 -0.16 0.52 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.13 -1.08 2.86 -1.90 -3.10 114.93 111.58 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 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3m83 h MET 145 CO 0.00 0.24 0.00 0.25 1.06 0.00 0.00 176.91 178.46 3m83 n THR 146 N -3.87 0.59 -2.01 2.22 -2.24 -1.26 -4.85 114.28 102.86 3m83 n THR 146 Ca -0.02 -0.80 -0.42 0.00 -2.27 0.00 0.00 64.05 60.55 3m83 n THR 146 Cb 0.33 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.82 3.17 -0.64 -0.78 3.52 -1.17 -2.58 118.95 119.65 3m83 s ARG 147 Ca 0.11 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 3m83 s ARG 147 Cb 0.07 -4.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 3m83 s ARG 147 CO 0.09 -2.06 0.00 0.41 -0.81 0.00 0.00 175.30 172.93 3m83 n GLY 148 N 5.48 0.80 0.10 8.12 0.00 -1.26 -1.17 105.19 117.26 3m83 n GLY 148 Ca 0.22 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.90 1.07 1.90 -0.61 3.06 -1.06 -2.74 119.36 118.08 3m83 n ILE 149 Ca -0.06 0.40 0.16 0.00 -2.50 0.00 0.00 62.75 60.75 3m83 n ILE 149 Cb 0.23 -1.33 0.92 0.00 0.54 0.00 0.00 39.64 39.99 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 -2.01 0.00 -3.65 9.51 4.77 -1.26 -4.60 117.00 119.76 3m83 n LEU 150 Ca 0.01 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.99 3m83 n LEU 150 Cb 0.14 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3m83 n LEU 150 CO 0.13 -0.00 0.26 -0.62 -1.33 0.00 0.00 177.39 175.83 3m83 s ASP 151 N -2.09 -0.97 0.54 -1.43 -1.08 -1.11 -4.97 116.67 105.57 3m83 s ASP 151 Ca 0.45 1.47 0.23 0.00 -0.52 0.00 0.00 52.55 54.18 3m83 s ASP 151 Cb 0.22 1.81 1.42 0.00 -1.46 0.00 0.00 42.92 44.91 3m83 s ASP 151 CO 0.38 -0.23 2.08 1.55 0.52 0.00 0.00 175.17 179.48 3m83 h PRO 152 N 7.61 0.00 0.00 4.34 0.13 -1.84 -1.46 132.00 140.78 3m83 h PRO 152 Ca -0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.86 3m83 h PRO 152 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3m83 h PRO 152 CO 0.13 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 177.70 3m83 h ARG 153 N 0.00 0.00 -0.02 0.86 3.08 -1.96 -2.96 114.38 113.38 3m83 h ARG 153 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3m83 h ARG 153 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3m83 h ARG 153 CO -0.00 0.20 -0.36 0.25 -1.07 0.00 0.00 179.97 178.99 3m83 n THR 154 N -3.62 0.00 -2.34 2.04 -2.24 -0.60 -4.95 114.28 102.58 3m83 n THR 154 Ca -0.01 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 3m83 n THR 154 Cb 0.33 1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 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 -2.37 3.38 0.24 4.78 5.04 -0.90 -4.28 117.35 123.24 3m83 s TYR 155 Ca 0.21 1.45 -0.05 0.00 -2.44 0.00 0.00 57.07 56.24 3m83 s TYR 155 Cb 0.19 -3.46 0.44 0.00 0.35 0.00 0.00 41.96 39.48 3m83 s TYR 155 CO 0.51 -1.26 1.72 -0.92 -1.34 0.00 0.00 175.55 174.25 3m83 h TYR 156 N 4.72 0.43 0.00 4.97 3.20 -1.43 -1.13 116.97 127.73 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 1.21 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.41 3m83 h TYR 156 CO 0.61 0.02 0.00 0.66 -1.64 0.00 0.00 178.16 177.81 3m83 n TYR 157 N -5.05 0.74 -0.30 -3.82 4.01 -1.26 -1.94 117.16 109.54 3m83 n TYR 157 Ca 0.14 0.29 -0.04 0.00 -0.16 0.00 0.00 57.90 58.12 3m83 n TYR 157 Cb 0.41 -0.97 0.07 0.00 -0.31 0.00 0.00 39.34 38.55 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 1.11 -0.08 -0.72 2.43 -1.49 -1.08 114.38 114.55 3m83 h ARG 158 Ca 0.00 -0.10 -0.18 0.00 -0.81 0.00 0.00 59.98 58.89 3m83 h ARG 158 Cb 0.37 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3m83 h ARG 158 CO 0.00 0.78 -0.64 0.00 -1.51 0.00 0.00 179.97 178.60 3m83 h ARG 159 N 1.12 0.57 -0.26 0.20 3.08 -1.49 -2.66 114.38 114.94 3m83 h ARG 159 Ca 0.29 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 3m83 h ARG 159 Cb -0.04 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3m83 h ARG 159 CO -0.05 1.13 0.13 0.28 -1.07 0.00 0.00 179.97 180.39 3m83 h VAL 160 N 0.18 1.13 -0.52 2.04 2.07 -1.44 -0.87 116.25 118.83 3m83 h VAL 160 Ca -0.06 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 3m83 h VAL 160 Cb 1.29 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3m83 h VAL 160 CO 0.13 0.13 0.06 -0.26 0.02 0.00 0.00 177.57 177.65 3m83 h PHE 161 N 0.29 0.88 -0.11 1.57 0.04 -1.27 -0.96 116.94 117.38 3m83 h PHE 161 Ca 0.09 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3m83 h PHE 161 Cb 0.08 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 3m83 h PHE 161 CO -0.03 0.78 0.03 1.15 -0.60 0.00 0.00 178.31 179.64 3m83 h THR 162 N 0.79 1.19 -0.66 -1.55 2.02 -1.37 -1.61 112.91 111.72 3m83 h THR 162 Ca 0.16 -0.60 0.14 0.00 0.77 0.00 0.00 66.41 66.89 3m83 h THR 162 Cb 0.39 1.38 -0.11 0.00 -1.74 0.00 0.00 68.15 68.07 3m83 h THR 162 CO 0.01 0.17 0.01 0.44 0.37 0.00 0.00 175.52 176.52 3m83 h ASP 163 N -0.02 -0.28 -0.65 4.18 3.32 -0.96 -2.04 116.42 119.97 3m83 h ASP 163 Ca 0.04 0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 3m83 h ASP 163 Cb 0.25 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3m83 h ASP 163 CO 0.00 -0.13 0.19 0.00 -1.72 0.00 0.00 179.24 177.59 3m83 h ALA 164 N 1.60 1.06 -0.68 3.45 0.00 -0.92 0.70 119.26 124.47 3m83 h ALA 164 Ca 0.35 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3m83 h ALA 164 Cb 0.58 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3m83 h ALA 164 CO -0.56 0.63 0.16 0.28 0.00 0.00 0.00 179.25 179.76 3m83 h VAL 165 N 1.01 1.26 0.00 0.00 2.07 -1.00 -2.99 116.25 116.60 3m83 h VAL 165 Ca 0.22 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 3m83 h VAL 165 Cb 0.31 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3m83 h VAL 165 CO -0.00 0.37 -0.38 0.03 0.02 0.00 0.00 177.57 177.60 3m83 h ARG 166 N 1.02 0.00 -0.57 1.57 2.47 -0.95 -2.90 114.38 115.02 3m83 h ARG 166 Ca 0.21 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.90 3m83 h ARG 166 Cb 0.37 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 3m83 h ARG 166 CO 0.00 0.38 0.21 0.00 0.56 0.00 0.00 179.97 181.13 3m83 h ALA 167 N 1.62 1.31 -0.49 0.04 0.00 -0.72 -0.65 119.26 120.37 3m83 h ALA 167 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3m83 h ALA 167 Cb 0.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3m83 h ALA 167 CO 0.05 0.51 -0.13 0.28 0.00 0.00 0.00 179.25 179.96 3m83 h VAL 168 N 0.82 1.27 -0.58 0.00 2.07 -1.49 -0.51 116.25 117.82 3m83 h VAL 168 Ca 0.19 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3m83 h VAL 168 Cb 0.18 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3m83 h VAL 168 CO -0.02 0.44 0.38 -0.33 0.02 0.00 0.00 177.57 178.06 3m83 h GLU 169 N 0.81 0.77 -0.52 1.57 4.39 -1.50 -0.67 114.58 119.43 3m83 h GLU 169 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3m83 h GLU 169 Cb 0.69 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3m83 h GLU 169 CO 0.05 0.52 0.29 0.00 -1.16 0.00 0.00 179.01 178.72 3m83 h ALA 170 N 1.20 0.67 0.03 3.43 0.00 -0.78 -2.19 119.26 121.62 3m83 h ALA 170 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3m83 h ALA 170 Cb -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3m83 h ALA 170 CO -0.04 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.37 3m83 h ALA 171 N 1.13 -0.04 -0.24 0.00 0.00 -0.97 -2.67 119.26 116.47 3m83 h ALA 171 Ca 0.18 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3m83 h ALA 171 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3m83 h ALA 171 CO -0.03 -0.53 0.23 0.00 0.00 0.00 0.00 179.25 178.92 3m83 h ALA 172 N 0.93 1.96 0.00 0.00 0.00 -0.96 -1.81 119.26 119.39 3m83 h ALA 172 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m83 h ALA 172 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3m83 h ALA 172 CO -0.00 -0.35 0.00 0.66 0.00 0.00 0.00 179.25 179.56 3m83 h SER 173 N 0.00 0.00 -3.09 0.00 4.64 -1.03 -3.45 113.55 110.62 3m83 h SER 173 Ca 0.11 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.90 3m83 h SER 173 Cb 0.57 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3m83 h SER 173 CO -0.00 0.00 0.65 0.12 -0.87 0.00 0.00 176.83 176.73 3m83 s PHE 174 N -3.27 3.31 0.48 4.77 5.36 -0.68 -4.92 117.98 123.03 3m83 s PHE 174 Ca 0.07 1.13 0.23 0.00 -0.96 0.00 0.00 56.93 57.39 3m83 s PHE 174 Cb 0.10 -3.54 1.40 0.00 -0.34 0.00 0.00 43.02 40.64 3m83 s PHE 174 CO 0.54 -1.78 2.11 -1.00 -1.46 0.00 0.00 175.22 173.63 3m83 h PRO 175 N 6.91 0.00 -0.03 10.12 0.13 -1.89 -2.35 132.00 144.90 3m83 h PRO 175 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3m83 h PRO 175 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3m83 h PRO 175 CO 0.84 0.09 0.00 1.04 -0.23 0.00 0.00 178.00 179.74 3m83 n GLN 176 N -4.00 1.63 -2.78 0.86 6.02 -1.26 -4.86 117.38 112.99 3m83 n GLN 176 Ca -0.02 -0.92 -0.42 0.00 -0.01 0.00 0.00 57.00 55.63 3m83 n GLN 176 Cb 0.18 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.98 4.82 -0.42 5.09 1.01 -0.89 -0.22 120.40 127.82 3m83 s VAL 177 Ca 0.38 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.94 3m83 s VAL 177 Cb 0.21 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.37 3m83 s VAL 177 CO 0.33 0.01 1.27 -0.62 0.00 0.00 0.00 175.10 176.09 3m83 s ASP 178 N 1.12 6.52 0.18 3.32 -1.08 0.58 -4.80 116.67 122.50 3m83 s ASP 178 Ca 0.44 0.72 0.22 0.00 -0.52 0.00 0.00 52.55 53.41 3m83 s ASP 178 Cb -0.17 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.63 3m83 s ASP 178 CO 0.15 -1.30 1.66 0.00 0.52 0.00 0.00 175.17 176.20 3m83 n GLN 179 N 7.85 0.15 0.00 4.34 6.02 -1.26 -1.66 117.38 132.81 3m83 n GLN 179 Ca 0.14 0.34 0.14 0.00 -0.01 0.00 0.00 57.00 57.62 3m83 n GLN 179 Cb 0.48 -1.76 0.59 0.00 1.02 0.00 0.00 30.24 30.57 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 -2.03 0.32 -2.58 -1.09 -0.58 -1.26 -4.17 120.64 109.24 3m83 n GLU 180 Ca 0.03 -0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.53 3m83 n GLU 180 Cb 0.24 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.27 2.10 -3.47 3.49 1.74 -0.67 -4.91 116.66 113.66 3m83 n ARG 181 Ca 0.11 -3.77 -0.38 0.00 -0.77 0.00 0.00 57.85 53.04 3m83 n ARG 181 Cb 0.30 -1.66 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 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 -4.12 5.24 -0.08 0.55 1.01 -1.25 -1.30 121.20 121.26 3m83 s ILE 182 Ca 0.36 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.52 3m83 s ILE 182 Cb 0.43 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 3m83 s ILE 182 CO -0.05 0.25 -0.12 -0.69 0.00 0.00 0.00 174.94 174.33 3m83 s VAL 183 N 1.48 3.23 -0.17 2.92 1.01 0.91 -0.50 120.40 129.28 3m83 s VAL 183 Ca 0.14 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3m83 s VAL 183 Cb -0.15 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3m83 s VAL 183 CO 0.08 0.57 0.02 0.27 0.00 0.00 0.00 175.10 176.04 3m83 s ILE 184 N -0.42 4.42 -0.00 2.22 -4.36 -0.43 0.77 121.20 123.40 3m83 s ILE 184 Ca 0.05 -0.17 0.01 0.00 -0.26 0.00 0.00 60.65 60.28 3m83 s ILE 184 Cb -0.12 -2.97 -0.00 0.00 1.25 0.00 0.00 42.46 40.62 3m83 s ILE 184 CO 0.02 0.48 -0.03 0.00 0.24 0.00 0.00 174.94 175.65 3m83 s ALA 185 N 0.32 0.24 -0.12 2.27 0.00 -0.03 -0.48 121.76 123.97 3m83 s ALA 185 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 51.96 51.53 3m83 s ALA 185 Cb -0.13 -0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.04 3m83 s ALA 185 CO 0.01 0.05 1.09 0.20 0.00 0.00 0.00 175.76 177.12 3m83 s GLY 186 N 0.00 -0.36 -0.39 0.00 0.00 -0.41 -1.26 107.32 104.91 3m83 s GLY 186 Ca 0.00 1.35 0.05 0.00 0.00 0.00 0.00 44.72 46.12 3m83 s GLY 186 CO -0.00 0.44 1.30 0.61 0.00 0.00 0.00 173.10 175.45 3m83 n GLY 187 N -0.16 6.22 0.00 0.20 0.00 -1.26 -1.01 105.19 109.18 3m83 n GLY 187 Ca -0.03 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.67 0.00 -0.26 1.61 7.27 -1.26 -3.26 117.38 120.80 3m83 n GLN 189 Ca 0.45 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.62 3m83 n GLN 189 Cb 0.83 0.00 0.36 0.00 2.41 0.00 0.00 30.24 33.84 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 1.19 1.38 1.69 0.00 -1.79 0.06 103.07 105.61 3m83 h GLY 190 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 46.84 3m83 h GLY 190 CO 0.00 0.13 -0.60 -1.33 0.00 0.00 0.00 176.54 174.74 3m83 h GLY 191 N 0.74 0.70 1.10 4.60 0.00 -1.55 -0.60 103.07 108.06 3m83 h GLY 191 Ca 0.42 -0.86 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 3m83 h GLY 191 CO -0.19 0.77 -0.09 -1.33 0.00 0.00 0.00 176.54 175.70 3m83 h GLY 192 N 0.95 1.14 0.86 4.60 0.00 -1.45 -1.16 103.07 108.02 3m83 h GLY 192 Ca -0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.40 3m83 h GLY 192 CO 0.12 0.83 0.06 -2.22 0.00 0.00 0.00 176.54 175.33 3m83 h ILE 193 N 0.94 1.19 -0.86 2.60 2.04 -0.96 -2.52 117.51 119.94 3m83 h ILE 193 Ca 0.15 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3m83 h ILE 193 Cb 0.66 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3m83 h ILE 193 CO 0.05 0.18 0.56 0.00 0.00 0.00 0.00 178.15 178.94 3m83 h ALA 194 N 0.88 1.37 -0.68 1.87 0.00 -1.04 -1.30 119.26 120.35 3m83 h ALA 194 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3m83 h ALA 194 Cb 0.23 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3m83 h ALA 194 CO -0.00 0.58 0.18 1.25 0.00 0.00 0.00 179.25 181.26 3m83 h LEU 195 N 1.18 1.02 -0.37 0.00 5.85 -1.15 0.08 115.31 121.91 3m83 h LEU 195 Ca 0.32 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3m83 h LEU 195 Cb -0.12 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.62 3m83 h LEU 195 CO -0.07 0.98 0.20 0.00 -0.34 0.00 0.00 178.44 179.21 3m83 h ALA 196 N 1.08 0.48 -0.22 1.25 0.00 -0.95 -2.92 119.26 117.99 3m83 h ALA 196 Ca 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3m83 h ALA 196 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3m83 h ALA 196 CO -0.00 0.01 -0.02 0.28 0.00 0.00 0.00 179.25 179.52 3m83 h VAL 197 N 0.48 1.15 0.00 0.00 2.07 -0.84 -1.86 116.25 117.25 3m83 h VAL 197 Ca 0.13 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 3m83 h VAL 197 Cb 0.07 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3m83 h VAL 197 CO -0.02 0.20 -0.16 0.77 0.02 0.00 0.00 177.57 178.38 3m83 h SER 198 N 0.31 0.00 0.33 0.57 4.64 -0.79 0.12 113.55 118.74 3m83 h SER 198 Ca 0.07 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.07 3m83 h SER 198 Cb 0.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 3m83 h SER 198 CO 0.01 0.16 -1.92 0.00 -0.87 0.00 0.00 176.83 174.21 3m83 n ALA 199 N -2.30 1.47 -0.04 5.18 0.00 -0.94 -4.31 120.51 119.57 3m83 n ALA 199 Ca -0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 53.44 52.46 3m83 n ALA 199 Cb 0.28 -0.65 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.98 0.32 -4.85 0.00 4.77 -0.74 -4.89 117.00 108.62 3m83 n LEU 200 Ca -0.22 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.57 3m83 n LEU 200 Cb 1.08 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 42.39 3m83 n LEU 200 CO 0.44 0.32 0.29 -0.55 -1.33 0.00 0.00 177.39 176.57 3m83 s SER 201 N -5.48 6.78 -0.01 -1.43 0.15 0.39 -4.99 113.70 109.11 3m83 s SER 201 Ca -0.07 1.11 0.21 0.00 0.70 0.00 0.00 55.95 57.90 3m83 s SER 201 Cb 0.08 -2.30 -0.25 0.00 -1.71 0.00 0.00 66.02 61.84 3m83 s SER 201 CO 0.84 -0.04 0.80 0.29 1.20 0.00 0.00 173.24 176.33 3m83 n LYS 202 N 0.21 0.20 -0.03 5.44 4.76 -1.26 -4.58 118.16 122.90 3m83 n LYS 202 Ca -0.01 -0.04 0.04 0.00 -2.87 0.00 0.00 58.31 55.43 3m83 n LYS 202 Cb 0.52 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.66 0.66 -2.20 1.97 4.76 -1.26 -4.96 118.16 115.48 3m83 n LYS 203 Ca 0.02 -0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 54.95 3m83 n LYS 203 Cb 0.38 -1.55 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 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 -3.18 3.36 -0.06 7.82 0.00 -1.26 -4.75 121.76 123.69 3m83 s ALA 204 Ca -0.08 1.14 0.10 0.00 0.00 0.00 0.00 51.96 53.12 3m83 s ALA 204 Cb 0.11 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.65 3m83 s ALA 204 CO 0.88 -0.58 0.14 1.63 0.00 0.00 0.00 175.76 177.83 3m83 n LYS 205 N 0.57 1.29 -3.75 0.00 4.76 0.35 -4.97 118.16 116.40 3m83 n LYS 205 Ca 0.01 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.28 3m83 n LYS 205 Cb 0.44 -1.27 -0.07 0.00 -1.84 0.00 0.00 35.03 32.29 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 -2.52 -0.72 -0.12 7.82 0.00 -1.17 -4.22 121.76 120.84 3m83 s ALA 206 Ca -0.05 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.00 3m83 s ALA 206 Cb 0.05 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 3m83 s ALA 206 CO 0.44 -0.40 -0.19 -1.17 0.00 0.00 0.00 175.76 174.45 3m83 s LEU 207 N -1.97 2.38 -0.28 0.00 2.96 -0.23 -1.31 118.68 120.23 3m83 s LEU 207 Ca -0.06 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 3m83 s LEU 207 Cb -0.01 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.17 3m83 s LEU 207 CO -0.02 0.16 0.05 -0.76 -1.32 0.00 0.00 176.35 174.45 3m83 s LEU 208 N 0.39 3.62 -0.36 -0.68 1.43 0.37 -1.22 118.68 122.23 3m83 s LEU 208 Ca -0.14 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 3m83 s LEU 208 Cb -0.17 -1.85 0.11 0.00 0.03 0.00 0.00 46.19 44.31 3m83 s LEU 208 CO 0.07 -0.14 0.14 0.00 0.23 0.00 0.00 176.35 176.65 3m83 s ASP 210 N 1.11 6.09 -0.93 0.00 1.01 -0.18 -2.09 116.67 121.68 3m83 s ASP 210 Ca 0.13 0.27 -0.21 0.00 0.71 0.00 0.00 52.55 53.44 3m83 s ASP 210 Cb -0.20 -2.02 0.03 0.00 1.01 0.00 0.00 42.92 41.74 3m83 s ASP 210 CO -0.14 0.26 0.40 1.33 0.21 0.00 0.00 175.17 177.23 3m83 n VAL 211 N 2.97 -1.66 -1.96 -1.27 0.24 -0.59 -4.16 118.33 111.90 3m83 n VAL 211 Ca -0.17 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.30 3m83 n VAL 211 Cb 0.53 -1.44 -0.02 0.00 -1.47 0.00 0.00 33.84 31.45 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 -6.71 4.23 0.45 7.34 0.04 -1.26 -4.76 135.00 134.32 3m83 s PRO 212 Ca 0.29 2.37 0.04 0.00 0.04 0.00 0.00 61.00 63.74 3m83 s PRO 212 Cb -0.16 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.31 3m83 s PRO 212 CO 0.71 -0.45 0.64 0.12 0.04 0.00 0.00 177.00 178.07 3m83 s PHE 213 N -0.25 3.00 -0.53 0.56 5.36 -1.26 -4.66 117.98 120.20 3m83 s PHE 213 Ca 0.58 -0.08 -0.02 0.00 -0.96 0.00 0.00 56.93 56.46 3m83 s PHE 213 Cb -0.43 -2.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.85 3m83 s PHE 213 CO 0.47 -0.46 0.25 1.28 -1.46 0.00 0.00 175.22 175.31 3m83 n LEU 214 N -2.02 -2.04 -3.98 6.12 4.77 -1.26 -3.52 117.00 115.09 3m83 n LEU 214 Ca 0.04 -0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 3m83 n LEU 214 Cb 0.59 -1.37 -0.16 0.00 -2.33 0.00 0.00 43.42 40.14 3m83 n LEU 214 CO 0.44 0.11 -0.44 0.00 -1.33 0.00 0.00 177.39 176.16 3m83 n HIS 216 N 3.77 -1.98 -0.36 0.00 -0.00 -1.26 -4.68 115.22 110.71 3m83 n HIS 216 Ca -0.23 0.58 0.04 0.00 -0.00 0.00 0.00 57.72 58.11 3m83 n HIS 216 Cb 0.52 -3.67 0.20 0.00 -0.00 0.00 0.00 29.99 27.03 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 -1.76 1.14 -0.72 1.57 0.04 -1.95 -1.16 116.94 114.10 3m83 h PHE 217 Ca -0.65 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.10 3m83 h PHE 217 Cb 1.35 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 39.11 3m83 h PHE 217 CO 0.35 0.52 0.25 -0.09 -0.60 0.00 0.00 178.31 178.75 3m83 h ARG 218 N 1.06 1.10 -0.19 1.51 9.65 -1.99 -1.71 114.38 123.82 3m83 h ARG 218 Ca 0.45 -0.23 -0.10 0.00 -1.10 0.00 0.00 59.98 59.00 3m83 h ARG 218 Cb 0.31 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 3m83 h ARG 218 CO -0.22 0.93 -0.28 -0.09 2.80 0.00 0.00 179.97 183.12 3m83 h ARG 219 N 1.05 0.53 -0.46 0.20 9.65 -1.77 -3.20 114.38 120.38 3m83 h ARG 219 Ca 0.23 -0.31 0.08 0.00 -1.10 0.00 0.00 59.98 58.88 3m83 h ARG 219 Cb 0.27 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.81 3m83 h ARG 219 CO -0.01 0.91 0.06 0.00 2.80 0.00 0.00 179.97 183.73 3m83 h ALA 220 N 0.61 0.49 0.00 2.80 0.00 -0.96 -1.69 119.26 120.50 3m83 h ALA 220 Ca 0.02 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3m83 h ALA 220 Cb 0.86 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3m83 h ALA 220 CO 0.07 -0.34 -0.34 0.28 0.00 0.00 0.00 179.25 178.92 3m83 h VAL 221 N 0.18 1.21 0.00 0.00 2.07 -1.41 -1.76 116.25 116.54 3m83 h VAL 221 Ca 0.23 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3m83 h VAL 221 Cb 0.32 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3m83 h VAL 221 CO -0.33 0.33 -0.69 0.00 0.02 0.00 0.00 177.57 176.90 3m83 n GLN 222 N -4.09 0.07 -0.10 1.57 6.02 -1.05 -4.40 117.38 115.39 3m83 n GLN 222 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.75 3m83 n GLN 222 Cb 0.38 -1.53 -0.12 0.00 1.02 0.00 0.00 30.24 30.00 3m83 n GLN 222 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3m83 n LEU 223 N -1.62 2.43 -4.33 1.08 0.00 -0.66 -5.02 117.00 108.89 3m83 n LEU 223 Ca 0.04 0.16 -0.24 0.00 0.00 0.00 0.00 56.01 55.97 3m83 n LEU 223 Cb 0.36 -0.94 -0.12 0.00 0.00 0.00 0.00 43.42 42.72 3m83 n LEU 223 CO 0.37 0.71 -0.52 0.68 0.00 0.00 0.00 177.39 178.64 3m83 s VAL 224 N -2.50 1.88 -0.66 1.96 -7.23 -0.70 -5.02 120.40 108.13 3m83 s VAL 224 Ca -0.33 -1.71 0.12 0.00 -1.81 0.00 0.00 61.98 58.25 3m83 s VAL 224 Cb 0.10 -1.74 0.36 0.00 0.56 0.00 0.00 36.38 35.65 3m83 s VAL 224 CO 0.60 -0.10 1.29 -0.90 -0.31 0.00 0.00 175.10 175.68 3m83 n ASP 225 N 0.80 3.17 -4.84 4.85 5.75 -1.26 -4.69 116.55 120.32 3m83 n ASP 225 Ca -0.17 -2.31 -0.32 0.00 -0.01 0.00 0.00 54.79 51.97 3m83 n ASP 225 Cb 0.54 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 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 -1.56 4.53 0.47 2.12 -4.23 -1.26 -4.73 115.64 110.98 3m83 s THR 226 Ca 0.28 1.17 -0.19 0.00 -1.18 0.00 0.00 61.69 61.76 3m83 s THR 226 Cb 0.18 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 70.20 3m83 s THR 226 CO 0.13 -0.74 0.98 -1.00 -0.54 0.00 0.00 174.62 173.45 3m83 s HIS 227 N -2.69 3.27 -1.44 3.99 3.76 -1.26 -1.09 115.29 119.83 3m83 s HIS 227 Ca 0.59 1.56 0.27 0.00 -0.15 0.00 0.00 55.06 57.32 3m83 s HIS 227 Cb -0.10 -2.88 0.82 0.00 1.11 0.00 0.00 32.58 31.53 3m83 s HIS 227 CO 0.34 -0.37 1.61 -0.35 -0.85 0.00 0.00 174.74 175.13 3m83 n PRO 228 N -1.03 0.48 -0.04 8.40 -0.05 -1.26 -4.87 135.00 136.64 3m83 n PRO 228 Ca 0.07 -0.24 0.14 0.00 -0.05 0.00 0.00 63.50 63.42 3m83 n PRO 228 Cb 0.54 -1.49 0.56 0.00 -0.05 0.00 0.00 33.50 33.05 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 0.59 0.29 0.00 0.54 0.05 -1.86 -1.55 116.97 115.03 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 0.47 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3m83 h TYR 229 CO 0.00 0.13 0.00 0.00 -1.05 0.00 0.00 178.16 177.24 3m83 h ALA 230 N 1.73 1.00 -0.77 3.88 0.00 -1.40 -1.99 119.26 121.71 3m83 h ALA 230 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3m83 h ALA 230 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3m83 h ALA 230 CO -0.05 0.00 0.42 0.93 0.00 0.00 0.00 179.25 180.54 3m83 h GLU 231 N 0.00 1.07 -0.16 0.00 5.08 -1.56 -0.47 114.58 118.53 3m83 h GLU 231 Ca 0.00 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 3m83 h GLU 231 Cb 0.18 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3m83 h GLU 231 CO 0.00 0.79 -0.13 0.82 -1.00 0.00 0.00 179.01 179.49 3m83 h ILE 232 N 1.07 1.33 -0.56 3.13 2.04 -1.53 -1.80 117.51 121.20 3m83 h ILE 232 Ca 0.27 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.93 3m83 h ILE 232 Cb 0.03 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 3m83 h ILE 232 CO -0.04 0.37 0.29 0.74 0.00 0.00 0.00 178.15 179.51 3m83 h THR 233 N 0.03 0.97 -0.56 -0.27 2.02 -1.52 -1.08 112.91 112.51 3m83 h THR 233 Ca 0.03 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 3m83 h THR 233 Cb 0.64 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3m83 h THR 233 CO 0.03 0.10 0.24 0.78 0.37 0.00 0.00 175.52 177.05 3m83 h ASN 234 N 0.56 0.75 -0.52 4.18 2.35 -1.03 -0.09 115.58 121.77 3m83 h ASN 234 Ca 0.24 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3m83 h ASN 234 Cb 0.14 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3m83 h ASN 234 CO -0.16 0.69 0.32 0.15 -1.65 0.00 0.00 177.43 176.78 3m83 h PHE 235 N 0.75 0.60 -0.07 1.19 3.04 -0.97 -2.83 116.94 118.65 3m83 h PHE 235 Ca 0.19 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.06 3m83 h PHE 235 Cb 0.16 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 3m83 h PHE 235 CO 0.00 0.35 -0.38 -0.07 -2.02 0.00 0.00 178.31 176.19 3m83 h LEU 236 N 0.64 0.14 -1.75 0.59 3.38 -0.76 0.51 115.31 118.05 3m83 h LEU 236 Ca 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3m83 h LEU 236 Cb -0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3m83 h LEU 236 CO -0.08 0.51 0.09 0.11 0.09 0.00 0.00 178.44 179.15 3m83 h LYS 237 N 0.12 0.25 0.00 1.13 1.57 -0.78 -3.27 116.57 115.58 3m83 h LYS 237 Ca 0.01 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 3m83 h LYS 237 Cb 0.72 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3m83 h LYS 237 CO 0.05 0.20 -1.39 2.41 -0.57 0.00 0.00 179.45 180.15 3m83 n THR 238 N -4.47 1.50 -2.31 -0.16 -1.04 -1.06 -4.61 114.28 102.13 3m83 n THR 238 Ca -0.00 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.54 3m83 n THR 238 Cb 0.10 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.49 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 -4.43 3.34 0.31 -1.42 8.25 0.15 -4.77 115.22 116.64 3m83 n HIS 239 Ca -0.30 -2.89 0.16 0.00 -0.26 0.00 0.00 57.72 54.44 3m83 n HIS 239 Cb 0.62 -2.11 0.71 0.00 1.12 0.00 0.00 29.99 30.34 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 6.01 0.00 -0.01 -0.41 3.08 -1.81 -1.50 114.38 119.74 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3m83 h ARG 240 CO 1.62 0.00 -0.14 -0.40 -1.07 0.00 0.00 179.97 179.98 3m83 n ASP 241 N -2.81 0.72 -0.72 7.04 5.75 -1.26 -4.42 116.55 120.84 3m83 n ASP 241 Ca 0.00 -0.77 0.06 0.00 -0.01 0.00 0.00 54.79 54.08 3m83 n ASP 241 Cb 0.23 -0.00 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 -0.76 2.90 0.08 0.11 4.76 -0.57 -4.77 118.16 119.92 3m83 n LYS 242 Ca 0.14 -2.27 -0.12 0.00 -2.87 0.00 0.00 58.31 53.19 3m83 n LYS 242 Cb 0.30 -1.43 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 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 1.98 -0.39 -0.44 1.97 4.81 -1.77 -0.16 114.58 120.57 3m83 h GLU 243 Ca 0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3m83 h GLU 243 Cb 0.93 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3m83 h GLU 243 CO 0.06 -0.26 0.27 1.49 -0.73 0.00 0.00 179.01 179.84 3m83 h GLU 244 N -0.41 0.60 -0.67 1.92 4.81 -1.96 -1.80 114.58 117.08 3m83 h GLU 244 Ca 0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3m83 h GLU 244 Cb 0.47 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 3m83 h GLU 244 CO -0.18 0.44 0.43 0.82 -0.73 0.00 0.00 179.01 179.79 3m83 h ILE 245 N 0.59 1.18 -0.18 2.32 2.04 -1.85 -1.66 117.51 119.95 3m83 h ILE 245 Ca 0.16 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3m83 h ILE 245 Cb -0.01 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 3m83 h ILE 245 CO -0.03 0.18 0.08 0.58 0.00 0.00 0.00 178.15 178.96 3m83 h VAL 246 N 0.90 1.15 0.00 1.67 2.07 -0.57 -1.54 116.25 119.93 3m83 h VAL 246 Ca 0.24 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 3m83 h VAL 246 Cb -0.08 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3m83 h VAL 246 CO -0.05 0.14 -0.35 -0.26 0.02 0.00 0.00 177.57 177.07 3m83 h PHE 247 N 0.15 0.00 -0.02 1.57 0.04 -1.27 -1.88 116.94 115.54 3m83 h PHE 247 Ca 0.06 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3m83 h PHE 247 Cb 0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 3m83 h PHE 247 CO -0.02 0.35 0.00 -0.09 -0.60 0.00 0.00 178.31 177.95 3m83 h ARG 248 N 0.00 0.03 -0.38 1.51 2.43 -1.09 -1.99 114.38 114.88 3m83 h ARG 248 Ca -0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3m83 h ARG 248 Cb 0.93 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 3m83 h ARG 248 CO 0.05 0.32 0.06 1.15 -1.51 0.00 0.00 179.97 180.03 3m83 h THR 249 N -0.26 0.78 0.00 0.20 2.02 -1.09 -2.81 112.91 111.75 3m83 h THR 249 Ca 0.01 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3m83 h THR 249 Cb 0.30 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3m83 h THR 249 CO 0.00 0.03 -0.31 -0.07 0.37 0.00 0.00 175.52 175.54 3m83 h LEU 250 N 0.18 0.00 -2.01 2.58 3.38 -1.23 -2.63 115.31 115.57 3m83 h LEU 250 Ca 0.19 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.28 3m83 h LEU 250 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3m83 h LEU 250 CO -0.26 0.31 0.31 0.77 0.09 0.00 0.00 178.44 179.66 3m83 h SER 251 N 0.00 0.00 0.95 -0.43 4.64 -1.08 -1.02 113.55 116.61 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 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3m83 h SER 251 CO 0.04 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.78 3m83 n TYR 252 N -4.37 0.35 -0.11 4.77 4.02 -0.99 -3.59 117.16 117.25 3m83 n TYR 252 Ca 0.07 0.12 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 3m83 n TYR 252 Cb 0.50 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 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 -1.80 0.00 -2.80 -0.72 3.72 -0.42 -5.03 117.46 110.40 3m83 n PHE 253 Ca 0.05 -0.41 -0.42 0.00 -0.05 0.00 0.00 57.45 56.62 3m83 n PHE 253 Cb 0.30 -0.04 -0.03 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 -0.83 7.06 0.50 4.37 -1.08 -1.01 -4.87 116.67 120.81 3m83 s ASP 254 Ca 0.00 1.30 0.20 0.00 -0.52 0.00 0.00 52.55 53.53 3m83 s ASP 254 Cb 0.00 -2.49 1.25 0.00 -1.46 0.00 0.00 42.92 40.21 3m83 s ASP 254 CO 0.00 -0.44 2.02 1.23 0.52 0.00 0.00 175.17 178.50 3m83 h GLY 255 N 8.36 0.20 1.13 2.66 0.00 -1.33 -0.50 103.07 113.58 3m83 h GLY 255 Ca -0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3m83 h GLY 255 CO 0.86 0.03 0.47 -2.08 0.00 0.00 0.00 176.54 175.82 3m83 h VAL 256 N 0.14 1.24 -0.02 4.60 2.07 -1.91 0.19 116.25 122.57 3m83 h VAL 256 Ca 0.21 -0.57 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 3m83 h VAL 256 Cb 0.65 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3m83 h VAL 256 CO -0.03 0.26 -0.81 0.78 0.02 0.00 0.00 177.57 177.79 3m83 h ASN 257 N 1.16 0.28 -0.24 0.57 2.35 -1.43 -2.80 115.58 115.47 3m83 h ASN 257 Ca 0.29 -0.21 -0.19 0.00 -0.55 0.00 0.00 56.30 55.65 3m83 h ASN 257 Cb 0.01 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3m83 h ASN 257 CO -0.05 0.98 -0.57 -0.26 -1.65 0.00 0.00 177.43 175.88 3m83 h PHE 258 N 0.14 1.06 -1.00 1.19 0.04 -1.36 -3.29 116.94 113.71 3m83 h PHE 258 Ca -0.04 -0.39 0.05 0.00 2.80 0.00 0.00 57.97 60.39 3m83 h PHE 258 Cb 1.41 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 39.31 3m83 h PHE 258 CO 0.03 1.21 0.65 0.00 -0.60 0.00 0.00 178.31 179.60 3m83 h ALA 259 N 0.71 1.35 -0.01 2.45 0.00 -0.56 -0.72 119.26 122.48 3m83 h ALA 259 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m83 h ALA 259 Cb 1.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3m83 h ALA 259 CO 0.12 0.52 0.03 0.00 0.00 0.00 0.00 179.25 179.92 3m83 h ALA 260 N 1.42 1.12 0.00 0.00 0.00 -1.52 -1.61 119.26 118.66 3m83 h ALA 260 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3m83 h ALA 260 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3m83 h ALA 260 CO -0.14 -0.03 -0.85 0.54 0.00 0.00 0.00 179.25 178.77 3m83 n ARG 261 N -3.20 1.60 -2.88 0.00 1.74 -0.34 -4.62 116.66 108.98 3m83 n ARG 261 Ca -0.03 -0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 3m83 n ARG 261 Cb 0.10 -1.27 -0.06 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 -2.57 3.38 0.00 7.54 0.00 -0.84 -4.81 121.76 124.46 3m83 s ALA 262 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.48 3m83 s ALA 262 Cb 0.12 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3m83 s ALA 262 CO 0.66 0.25 0.00 1.63 0.00 0.00 0.00 175.76 178.30 3m83 n LYS 263 N 1.41 4.62 -2.28 0.00 4.76 -1.26 -1.55 118.16 123.86 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 0.48 -0.59 -0.02 0.00 -1.84 0.00 0.00 35.03 33.06 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 -1.14 4.39 0.41 -0.18 -4.36 -1.26 -4.28 121.20 114.77 3m83 s ILE 264 Ca 0.00 1.11 -0.27 0.00 -0.26 0.00 0.00 60.65 61.24 3m83 s ILE 264 Cb 0.00 -3.66 -0.10 0.00 1.25 0.00 0.00 42.46 39.96 3m83 s ILE 264 CO 0.00 -0.68 1.44 -2.84 0.24 0.00 0.00 174.94 173.09 3m83 s PRO 265 N -4.16 3.92 -0.00 0.37 0.02 -1.26 -4.22 135.00 129.68 3m83 s PRO 265 Ca 0.60 2.46 0.01 0.00 0.02 0.00 0.00 61.00 64.08 3m83 s PRO 265 Cb -0.11 -2.82 -0.00 0.00 0.02 0.00 0.00 34.50 31.58 3m83 s PRO 265 CO 0.34 -0.64 -0.03 0.00 -0.33 0.00 0.00 177.00 176.35 3m83 s ALA 266 N -1.17 0.22 -0.25 -1.55 0.00 -0.01 -1.07 121.76 117.93 3m83 s ALA 266 Ca 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 3m83 s ALA 266 Cb -0.44 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.64 3m83 s ALA 266 CO 0.59 0.05 -0.04 -1.17 0.00 0.00 0.00 175.76 175.19 3m83 s LEU 267 N -0.05 3.23 0.24 0.00 2.96 -0.36 -1.63 118.68 123.06 3m83 s LEU 267 Ca 0.01 -0.77 0.04 0.00 -0.22 0.00 0.00 54.13 53.18 3m83 s LEU 267 Cb -0.01 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3m83 s LEU 267 CO -0.00 -0.12 0.37 -0.36 -1.32 0.00 0.00 176.35 174.92 3m83 s PHE 268 N 1.37 3.46 0.05 5.38 0.40 -0.28 -1.25 117.98 127.12 3m83 s PHE 268 Ca 0.01 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 3m83 s PHE 268 Cb -0.16 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 3m83 s PHE 268 CO -0.03 0.42 -0.05 -1.54 0.70 0.00 0.00 175.22 174.71 3m83 s SER 269 N -3.85 0.64 -0.15 1.36 1.04 -0.89 -0.89 113.70 110.96 3m83 s SER 269 Ca 0.35 -0.74 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 3m83 s SER 269 Cb -0.09 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.18 3m83 s SER 269 CO 0.30 -0.39 0.38 0.54 0.98 0.00 0.00 173.24 175.04 3m83 s VAL 270 N -2.51 -0.01 -0.24 5.02 0.11 -0.72 -1.54 120.40 120.51 3m83 s VAL 270 Ca -0.03 0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 3m83 s VAL 270 Cb -0.02 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 3m83 s VAL 270 CO -0.04 0.02 0.12 -0.83 -3.33 0.00 0.00 175.10 171.04 3m83 s GLY 271 N 0.62 1.88 0.13 6.54 0.00 -1.26 -0.79 107.32 114.44 3m83 s GLY 271 Ca -0.03 -0.98 0.23 0.00 0.00 0.00 0.00 44.72 43.93 3m83 s GLY 271 CO -0.04 0.43 1.70 1.04 0.00 0.00 0.00 173.10 176.23 3m83 n LEU 272 N 4.52 0.39 -1.19 0.66 4.77 -0.63 -2.31 117.00 123.21 3m83 n LEU 272 Ca -0.15 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.48 3m83 n LEU 272 Cb 0.52 -0.48 0.29 0.00 -2.33 0.00 0.00 43.42 41.42 3m83 n LEU 272 CO 0.33 -0.28 0.75 0.23 -1.33 0.00 0.00 177.39 177.09 3m83 n MET 273 N -1.90 3.46 -2.36 3.23 2.81 -0.59 -4.67 117.12 117.10 3m83 n MET 273 Ca 0.04 -2.77 -0.43 0.00 -1.81 0.00 0.00 57.70 52.73 3m83 n MET 273 Cb 0.28 -1.83 -0.02 0.00 -0.71 0.00 0.00 33.22 30.94 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 -1.32 6.53 0.00 7.83 -1.08 -0.98 -4.40 116.67 123.25 3m83 s ASP 274 Ca 0.43 1.14 0.19 0.00 -0.52 0.00 0.00 52.55 53.79 3m83 s ASP 274 Cb 0.31 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.70 3m83 s ASP 274 CO 0.15 -1.21 1.39 -0.46 0.52 0.00 0.00 175.17 175.56 3m83 n ASN 275 N 8.10 3.44 -0.13 -0.34 6.94 -1.26 -3.65 115.26 128.35 3m83 n ASN 275 Ca 0.16 -1.96 -0.29 0.00 -0.02 0.00 0.00 54.58 52.47 3m83 n ASN 275 Cb 0.47 -0.32 -0.10 0.00 -2.36 0.00 0.00 39.78 37.46 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 1.28 1.53 -3.86 1.53 2.08 -1.26 -4.57 119.36 116.09 3m83 n ILE 276 Ca 0.19 -0.34 -0.33 0.00 0.56 0.00 0.00 62.75 62.83 3m83 n ILE 276 Cb 0.55 -1.90 -0.12 0.00 -0.75 0.00 0.00 39.64 37.42 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 0.02 3.40 0.51 0.00 0.02 -1.24 -4.74 135.00 132.98 3m83 s PRO 278 Ca 0.16 2.17 0.23 0.00 0.02 0.00 0.00 61.00 63.58 3m83 s PRO 278 Cb -0.23 -2.38 1.33 0.00 0.02 0.00 0.00 34.50 33.24 3m83 s PRO 278 CO -0.02 -0.96 1.99 -1.35 -0.33 0.00 0.00 177.00 176.33 3m83 h PRO 279 N 1.79 0.07 -0.03 5.54 0.10 -1.78 -1.50 132.00 136.19 3m83 h PRO 279 Ca -0.50 -0.00 -0.08 0.00 0.10 0.00 0.00 66.00 65.51 3m83 h PRO 279 Cb 1.28 -0.02 -0.01 0.00 0.10 0.00 0.00 31.00 32.35 3m83 h PRO 279 CO 0.59 0.05 -0.38 0.66 0.10 0.00 0.00 178.00 179.02 3m83 h SER 280 N 0.07 0.06 0.08 -2.05 4.64 -1.94 0.48 113.55 114.90 3m83 h SER 280 Ca 0.26 -0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.29 3m83 h SER 280 Cb 0.95 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 63.04 3m83 h SER 280 CO -0.02 0.44 -1.08 0.71 -0.87 0.00 0.00 176.83 176.01 3m83 h THR 281 N 0.06 1.30 -0.12 2.95 1.35 -1.60 -2.27 112.91 114.57 3m83 h THR 281 Ca 0.00 -2.33 -0.02 0.00 -0.55 0.00 0.00 66.41 63.52 3m83 h THR 281 Cb 0.69 2.46 -0.00 0.00 -1.73 0.00 0.00 68.15 69.57 3m83 h THR 281 CO 0.05 0.71 -0.00 0.58 -0.25 0.00 0.00 175.52 176.61 3m83 h VAL 282 N 0.35 1.26 -0.41 6.82 2.07 -1.42 -2.88 116.25 122.03 3m83 h VAL 282 Ca -0.14 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 3m83 h VAL 282 Cb 1.74 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 3m83 h VAL 282 CO 0.21 0.24 -0.03 -0.26 0.02 0.00 0.00 177.57 177.75 3m83 h PHE 283 N -0.06 0.73 -0.33 1.57 0.04 -1.00 0.08 116.94 117.97 3m83 h PHE 283 Ca 0.03 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 60.76 3m83 h PHE 283 Cb 0.37 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.27 3m83 h PHE 283 CO 0.04 0.71 0.03 0.00 -0.60 0.00 0.00 178.31 178.48 3m83 h ALA 284 N 1.33 0.32 -0.27 2.45 0.00 -1.40 0.39 119.26 122.08 3m83 h ALA 284 Ca 0.12 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3m83 h ALA 284 Cb 0.45 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3m83 h ALA 284 CO 0.02 -0.37 0.04 0.00 0.00 0.00 0.00 179.25 178.93 3m83 h ALA 285 N 1.27 0.36 -0.58 0.00 0.00 -1.25 -2.46 119.26 116.59 3m83 h ALA 285 Ca 0.16 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3m83 h ALA 285 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3m83 h ALA 285 CO -0.24 0.06 0.38 -0.92 0.00 0.00 0.00 179.25 178.53 3m83 h TYR 286 N 0.27 0.72 -0.17 0.00 3.20 -0.74 -1.63 116.97 118.62 3m83 h TYR 286 Ca 0.08 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3m83 h TYR 286 Cb 0.35 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3m83 h TYR 286 CO 0.02 0.45 -0.36 -0.91 -1.64 0.00 0.00 178.16 175.72 3m83 h ASN 287 N 0.77 0.38 1.50 -2.11 2.35 -0.19 -2.14 115.58 116.14 3m83 h ASN 287 Ca 0.22 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3m83 h ASN 287 Cb -0.07 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.19 3m83 h ASN 287 CO -0.05 0.71 -0.05 1.88 -1.65 0.00 0.00 177.43 178.27 3m83 h TYR 288 N 0.31 0.00 -2.15 1.19 0.05 -1.30 -3.47 116.97 111.60 3m83 h TYR 288 Ca 0.03 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.22 3m83 h TYR 288 Cb 0.78 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.56 3m83 h TYR 288 CO 0.02 0.00 0.95 0.98 -1.05 0.00 0.00 178.16 179.06 3m83 n TYR 289 N -2.36 2.30 1.08 4.88 9.36 -0.62 -3.46 117.16 128.34 3m83 n TYR 289 Ca 0.05 0.12 0.12 0.00 3.32 0.00 0.00 57.90 61.51 3m83 n TYR 289 Cb 0.44 -2.61 0.17 0.00 -0.63 0.00 0.00 39.34 36.71 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 5.09 3.63 -2.00 2.98 0.00 -0.64 -4.91 120.51 124.67 3m83 n ALA 290 Ca 0.20 -0.48 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 3m83 n ALA 290 Cb 0.29 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.72 1.80 0.26 0.00 0.00 -0.60 -4.77 107.32 101.30 3m83 s GLY 291 Ca 0.17 -1.69 -0.31 0.00 0.00 0.00 0.00 44.72 42.88 3m83 s GLY 291 CO 0.64 -1.28 1.51 -1.05 0.00 0.00 0.00 173.10 172.93 3m83 n PRO 292 N -2.44 2.37 -3.73 2.90 -0.02 -1.26 -4.88 135.00 127.94 3m83 n PRO 292 Ca 0.12 0.85 -0.14 0.00 -2.02 0.00 0.00 63.50 62.31 3m83 n PRO 292 Cb 0.60 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.43 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 -0.35 0.69 0.06 -0.52 -2.85 -1.26 -0.83 119.74 114.68 3m83 s LYS 293 Ca 0.67 -0.09 0.01 0.00 -1.00 0.00 0.00 55.97 55.56 3m83 s LYS 293 Cb -0.57 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.47 3m83 s LYS 293 CO 0.48 -0.19 -0.06 -1.21 0.10 0.00 0.00 175.35 174.48 3m83 s GLU 294 N -1.19 0.64 -0.03 1.78 2.02 -0.65 -4.97 118.70 116.30 3m83 s GLU 294 Ca -0.12 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 53.82 3m83 s GLU 294 Cb -0.04 -0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.10 3m83 s GLU 294 CO 0.05 -0.02 -0.06 -1.50 0.02 0.00 0.00 175.26 173.74 3m83 s ILE 295 N -2.82 0.60 -0.22 -1.63 2.07 -1.26 -1.12 121.20 116.82 3m83 s ILE 295 Ca 0.02 -0.22 -0.11 0.00 -1.41 0.00 0.00 60.65 58.92 3m83 s ILE 295 Cb -0.00 -0.57 -0.05 0.00 0.13 0.00 0.00 42.46 41.97 3m83 s ILE 295 CO -0.04 0.21 0.19 -0.13 -1.91 0.00 0.00 174.94 173.26 3m83 s ARG 296 N 0.48 4.13 -0.23 3.50 1.81 -0.07 -4.96 118.95 123.61 3m83 s ARG 296 Ca -0.07 -0.17 -0.06 0.00 -1.72 0.00 0.00 55.73 53.71 3m83 s ARG 296 Cb -0.10 -3.50 -0.02 0.00 -0.45 0.00 0.00 34.95 30.87 3m83 s ARG 296 CO 0.00 0.12 0.02 0.42 -0.68 0.00 0.00 175.30 175.18 3m83 s ILE 297 N 0.87 3.94 -0.54 1.52 1.01 -1.26 -1.76 121.20 124.97 3m83 s ILE 297 Ca 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 3m83 s ILE 297 Cb -0.13 -2.81 0.14 0.00 0.01 0.00 0.00 42.46 39.67 3m83 s ILE 297 CO 0.03 0.39 0.35 -0.31 0.00 0.00 0.00 174.94 175.40 3m83 s TYR 298 N 1.40 3.48 0.30 3.97 2.02 0.03 -4.99 117.35 123.56 3m83 s TYR 298 Ca 0.05 -2.58 0.27 0.00 -0.37 0.00 0.00 57.07 54.44 3m83 s TYR 298 Cb -0.15 -3.22 1.27 0.00 -0.40 0.00 0.00 41.96 39.47 3m83 s TYR 298 CO 0.01 -0.90 1.98 -1.35 -1.57 0.00 0.00 175.55 173.73 3m83 h PRO 299 N 7.46 0.00 -0.02 -1.71 0.11 -1.96 -1.63 132.00 134.25 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 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3m83 h PRO 299 CO 0.71 0.15 0.00 0.66 -0.21 0.00 0.00 178.00 179.32 3m83 n TYR 300 N -3.50 0.00 -3.59 0.65 4.01 -1.26 -4.10 117.16 109.38 3m83 n TYR 300 Ca -0.01 -0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 3m83 n TYR 300 Cb 0.31 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.08 6.62 0.00 7.72 -0.87 -1.13 -4.83 114.94 121.37 3m83 s ASN 301 Ca 0.15 0.76 0.00 0.00 -1.57 0.00 0.00 52.86 52.21 3m83 s ASN 301 Cb 0.11 -2.17 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 3m83 s ASN 301 CO 0.16 0.17 0.00 0.59 -2.57 0.00 0.00 177.10 175.45 3m83 n ASN 302 N 0.86 0.00 0.30 -1.22 3.02 -1.26 -1.54 115.26 115.42 3m83 n ASN 302 Ca -0.08 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.66 3m83 n ASN 302 Cb 0.52 0.00 0.89 0.00 -0.61 0.00 0.00 39.78 40.58 3m83 n ASN 302 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 3m83 h HIS 303 N 0.00 0.00 -0.01 3.10 2.76 -1.93 -2.04 115.15 117.04 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 0.01 0.03 1.05 -1.30 0.00 0.00 177.93 177.72 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 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 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 -1.16 3.41 0.18 1.06 0.00 -0.77 -2.36 105.19 105.56 3m83 n GLY 305 Ca -0.03 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.77 7.00 -0.02 0.00 -1.26 -4.78 105.19 105.36 3m83 n GLY 306 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.31 3.08 0.23 -0.02 0.00 -1.00 -1.69 105.19 107.10 3m83 n GLY 307 Ca 0.13 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 1.22 0.00 -0.55 1.61 0.02 -1.95 -2.49 113.55 111.41 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 0.21 0.25 -0.26 -1.14 0.00 0.00 176.83 175.90 3m83 h PHE 309 N 0.00 0.81 -0.40 3.45 -1.00 -1.75 -2.97 116.94 115.08 3m83 h PHE 309 Ca -0.00 -0.05 -0.10 0.00 2.81 0.00 0.00 57.97 60.64 3m83 h PHE 309 Cb 0.69 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.98 3m83 h PHE 309 CO 0.00 0.64 -0.15 0.37 -1.61 0.00 0.00 178.31 177.56 3m83 h GLN 310 N 0.75 0.73 -0.78 1.51 5.75 -0.99 -2.46 115.11 119.62 3m83 h GLN 310 Ca 0.19 -0.26 0.08 0.00 -0.15 0.00 0.00 58.65 58.52 3m83 h GLN 310 Cb 0.14 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.57 3m83 h GLN 310 CO -0.02 0.84 0.44 0.00 -2.65 0.00 0.00 178.83 177.44 3m83 h ALA 311 N 1.18 1.09 -0.60 3.38 0.00 -1.47 -0.34 119.26 122.50 3m83 h ALA 311 Ca 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3m83 h ALA 311 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3m83 h ALA 311 CO 0.04 0.08 0.29 0.28 0.00 0.00 0.00 179.25 179.94 3m83 h VAL 312 N 0.76 1.21 -0.54 0.00 2.07 -1.35 -2.20 116.25 116.20 3m83 h VAL 312 Ca 0.37 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3m83 h VAL 312 Cb 0.31 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3m83 h VAL 312 CO -0.23 0.25 0.35 -0.33 0.02 0.00 0.00 177.57 177.63 3m83 h GLU 313 N 0.83 0.72 -0.11 1.57 4.39 -0.86 -2.15 114.58 118.96 3m83 h GLU 313 Ca 0.21 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 3m83 h GLU 313 Cb 0.13 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3m83 h GLU 313 CO -0.03 0.48 -0.15 1.96 -1.16 0.00 0.00 179.01 180.11 3m83 h GLN 314 N 0.74 0.30 -0.44 2.33 4.20 -0.79 -0.90 115.11 120.55 3m83 h GLN 314 Ca 0.20 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3m83 h GLN 314 Cb -0.08 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3m83 h GLN 314 CO -0.04 0.74 0.26 0.28 -0.67 0.00 0.00 178.83 179.40 3m83 h VAL 315 N -0.12 1.05 -0.60 -0.54 2.07 -1.28 -1.78 116.25 115.06 3m83 h VAL 315 Ca 0.01 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3m83 h VAL 315 Cb 0.70 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3m83 h VAL 315 CO 0.04 0.10 0.18 0.11 0.02 0.00 0.00 177.57 178.01 3m83 h LYS 316 N 0.53 0.94 -0.40 1.57 1.57 -1.40 -1.77 116.57 117.60 3m83 h LYS 316 Ca 0.17 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3m83 h LYS 316 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3m83 h LYS 316 CO -0.08 0.84 0.20 0.35 -0.57 0.00 0.00 179.45 180.20 3m83 h PHE 317 N 0.86 0.37 -0.15 -1.35 3.57 -0.97 -2.07 116.94 117.20 3m83 h PHE 317 Ca 0.19 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.52 3m83 h PHE 317 Cb 0.30 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3m83 h PHE 317 CO 0.02 0.19 -0.66 -0.07 -2.23 0.00 0.00 178.31 175.56 3m83 h LEU 318 N 0.41 0.69 0.09 0.59 3.38 -1.19 -1.00 115.31 118.27 3m83 h LEU 318 Ca 0.17 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3m83 h LEU 318 Cb 0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3m83 h LEU 318 CO -0.12 1.16 -0.06 0.50 0.09 0.00 0.00 178.44 180.02 3m83 h LYS 319 N 0.43 -0.14 -0.55 1.13 3.64 -1.24 -1.66 116.57 118.18 3m83 h LYS 319 Ca -0.02 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3m83 h LYS 319 Cb 1.24 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 3m83 h LYS 319 CO 0.13 -0.10 0.32 -0.22 -2.27 0.00 0.00 179.45 177.31 3m83 h LYS 320 N -0.15 0.75 -0.12 1.90 3.64 -1.37 -2.43 116.57 118.78 3m83 h LYS 320 Ca -0.01 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3m83 h LYS 320 Cb 0.13 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3m83 h LYS 320 CO 0.00 0.55 -0.02 1.25 -2.27 0.00 0.00 179.45 178.96 3m83 h LEU 321 N 0.74 -0.09 -0.14 5.20 5.85 -1.03 -2.96 115.31 122.87 3m83 h LEU 321 Ca 0.20 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3m83 h LEU 321 Cb -0.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3m83 h LEU 321 CO -0.04 -0.03 -0.08 0.49 -0.34 0.00 0.00 178.44 178.44 3m83 n PHE 322 N -5.14 0.00 1.08 1.25 3.72 -0.64 -1.66 117.46 116.07 3m83 n PHE 322 Ca -0.04 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.48 3m83 n PHE 322 Cb 0.08 -0.23 0.59 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.10 0.26 -0.64 -1.08 1.02 -0.92 -5.08 120.64 113.09 3m83 n GLU 323 Ca 0.14 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3m83 n GLU 323 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3m83 n GLU 323 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67