#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a82 s LYS 2 N 0.00 4.63 -0.07 4.33 1.02 -0.47 -4.94 119.74 124.24 1a82 s LYS 2 Ca 0.00 1.80 -0.07 0.00 0.02 0.00 0.00 55.97 57.72 1a82 s LYS 2 Cb 0.00 -3.20 0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1a82 s LYS 2 CO 0.00 0.18 0.19 1.03 -0.92 0.00 0.00 175.35 175.83 1a82 s ARG 3 N -1.25 0.25 -0.01 1.68 0.52 -1.26 -0.06 118.95 118.83 1a82 s ARG 3 Ca 0.45 0.22 -0.02 0.00 -0.52 0.00 0.00 55.73 55.86 1a82 s ARG 3 Cb -0.32 0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.27 1a82 s ARG 3 CO 0.40 -0.03 0.05 0.71 0.02 0.00 0.00 175.30 176.45 1a82 s TYR 4 N -0.01 0.03 -0.18 -0.53 2.02 -0.33 -4.30 117.35 114.05 1a82 s TYR 4 Ca -0.01 -0.06 -0.07 0.00 -0.37 0.00 0.00 57.07 56.56 1a82 s TYR 4 Cb -0.02 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.46 1a82 s TYR 4 CO 0.00 -0.11 0.04 0.12 -1.57 0.00 0.00 175.55 174.03 1a82 s PHE 5 N -0.58 3.19 -0.27 2.71 5.36 0.21 -0.20 117.98 128.40 1a82 s PHE 5 Ca -0.06 -0.03 -0.09 0.00 -0.96 0.00 0.00 56.93 55.79 1a82 s PHE 5 Cb -0.04 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 1a82 s PHE 5 CO 0.00 0.09 0.11 0.08 -1.46 0.00 0.00 175.22 174.04 1a82 s VAL 6 N 0.44 4.55 0.46 3.12 1.01 0.15 0.12 120.40 130.24 1a82 s VAL 6 Ca 0.02 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1a82 s VAL 6 Cb -0.13 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1a82 s VAL 6 CO 0.01 0.23 0.01 0.28 0.00 0.00 0.00 175.10 175.63 1a82 s THR 7 N 1.63 1.49 0.12 3.92 -1.32 -0.57 -1.70 115.64 119.21 1a82 s THR 7 Ca 0.06 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.51 1a82 s THR 7 Cb -0.16 -2.53 -0.03 0.00 -1.51 0.00 0.00 72.50 68.27 1a82 s THR 7 CO 0.06 0.00 0.08 -0.83 -2.21 0.00 0.00 174.62 171.72 1a82 s GLY 8 N -3.79 0.78 0.18 6.08 0.00 -1.26 -0.81 107.32 108.50 1a82 s GLY 8 Ca 0.19 -1.29 0.17 0.00 0.00 0.00 0.00 44.72 43.79 1a82 s GLY 8 CO 0.10 -1.24 1.51 -1.30 0.00 0.00 0.00 173.10 172.17 1a82 n THR 9 N -0.08 1.16 -3.96 0.90 -2.24 -1.01 -4.15 114.28 104.91 1a82 n THR 9 Ca -0.08 0.45 0.02 0.00 -2.27 0.00 0.00 64.05 62.17 1a82 n THR 9 Cb 0.63 -1.39 0.01 0.00 -2.10 0.00 0.00 70.33 67.48 1a82 n THR 9 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a82 n ASP 10 N -1.97 -0.87 -4.86 3.42 2.03 -1.26 -4.89 116.55 108.14 1a82 n ASP 10 Ca 0.01 -1.19 -0.31 0.00 0.52 0.00 0.00 54.79 53.82 1a82 n ASP 10 Cb 0.11 1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 41.83 1a82 n ASP 10 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1a82 s THR 11 N -2.06 4.69 -1.27 5.18 -1.32 -1.26 -4.20 115.64 115.40 1a82 s THR 11 Ca 0.21 0.85 -0.07 0.00 -1.21 0.00 0.00 61.69 61.47 1a82 s THR 11 Cb -0.01 -3.73 0.01 0.00 -1.51 0.00 0.00 72.50 67.27 1a82 s THR 11 CO -0.00 -0.58 0.96 -0.62 -2.21 0.00 0.00 174.62 172.17 1a82 n GLU 12 N -1.39 -6.62 0.00 7.08 4.71 -1.26 -4.90 120.64 118.27 1a82 n GLU 12 Ca 0.04 0.77 0.04 0.00 -0.01 0.00 0.00 57.16 57.99 1a82 n GLU 12 Cb 0.54 -5.55 -0.02 0.00 -1.01 0.00 0.00 31.44 25.40 1a82 n GLU 12 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1a82 n VAL 13 N -4.69 0.00 0.00 2.62 0.24 -1.26 -5.00 118.33 110.24 1a82 n VAL 13 Ca -0.02 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1a82 n VAL 13 Cb 0.57 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 1a82 n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a82 n GLY 14 N 0.98 1.71 0.26 7.63 0.00 -1.26 -3.88 105.19 110.63 1a82 n GLY 14 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1a82 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a82 h LYS 15 N 0.20 0.40 -0.17 1.61 1.57 -1.91 -0.31 116.57 117.96 1a82 h LYS 15 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1a82 h LYS 15 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1a82 h LYS 15 CO 0.00 0.26 -0.01 1.15 -0.57 0.00 0.00 179.45 180.28 1a82 h THR 16 N 0.41 1.26 -0.20 -0.16 2.02 -1.98 0.39 112.91 114.66 1a82 h THR 16 Ca 0.37 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1a82 h THR 16 Cb 0.52 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1a82 h THR 16 CO -0.37 0.27 0.13 0.58 0.37 0.00 0.00 175.52 176.49 1a82 h VAL 17 N 0.04 1.07 -0.73 3.16 2.07 -1.86 -1.50 116.25 118.51 1a82 h VAL 17 Ca 0.05 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1a82 h VAL 17 Cb 0.41 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1a82 h VAL 17 CO 0.01 0.07 0.28 0.00 0.02 0.00 0.00 177.57 177.94 1a82 h ALA 18 N 1.05 1.11 -0.90 1.67 0.00 -1.03 -2.01 119.26 119.16 1a82 h ALA 18 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1a82 h ALA 18 Cb -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1a82 h ALA 18 CO -0.01 0.63 0.52 0.77 0.00 0.00 0.00 179.25 181.16 1a82 h SER 19 N 1.06 1.09 -0.67 0.00 0.02 -0.56 0.12 113.55 114.62 1a82 h SER 19 Ca 0.24 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1a82 h SER 19 Cb 0.22 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1a82 h SER 19 CO -0.02 0.85 0.11 0.00 -1.14 0.00 0.00 176.83 176.64 1a82 h ALA 21 N 1.05 0.62 -0.13 0.00 0.00 -0.67 -0.62 119.26 119.51 1a82 h ALA 21 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a82 h ALA 21 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1a82 h ALA 21 CO 0.01 0.30 0.08 -0.07 0.00 0.00 0.00 179.25 179.56 1a82 h LEU 22 N 0.63 0.16 -0.64 0.00 3.38 -0.50 -1.39 115.31 116.95 1a82 h LEU 22 Ca 0.15 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1a82 h LEU 22 Cb 0.31 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1a82 h LEU 22 CO -0.00 0.17 0.39 -0.07 0.09 0.00 0.00 178.44 179.02 1a82 h LEU 23 N 0.14 0.62 -0.62 1.67 3.38 -0.71 -1.06 115.31 118.72 1a82 h LEU 23 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1a82 h LEU 23 Cb 0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1a82 h LEU 23 CO -0.01 0.43 0.31 1.56 0.09 0.00 0.00 178.44 180.82 1a82 h GLN 24 N 0.76 0.89 -0.69 1.13 4.20 -0.93 -1.85 115.11 118.61 1a82 h GLN 24 Ca 0.27 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1a82 h GLN 24 Cb 0.06 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1a82 h GLN 24 CO -0.12 0.70 0.21 0.00 -0.67 0.00 0.00 178.83 178.95 1a82 h ALA 25 N 1.14 0.91 -0.70 3.87 0.00 -0.84 -0.46 119.26 123.19 1a82 h ALA 25 Ca 0.22 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1a82 h ALA 25 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1a82 h ALA 25 CO -0.03 0.59 0.14 0.00 0.00 0.00 0.00 179.25 179.96 1a82 h ALA 26 N 1.09 0.94 -0.57 0.00 0.00 -0.94 -1.18 119.26 118.60 1a82 h ALA 26 Ca 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1a82 h ALA 26 Cb 0.31 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1a82 h ALA 26 CO -0.01 0.67 0.23 -0.22 0.00 0.00 0.00 179.25 179.92 1a82 h LYS 27 N 1.07 0.86 -0.26 0.00 3.64 -1.13 -1.67 116.57 119.08 1a82 h LYS 27 Ca 0.22 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1a82 h LYS 27 Cb 0.41 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1a82 h LYS 27 CO 0.01 0.74 0.08 0.00 -2.27 0.00 0.00 179.45 178.01 1a82 h ALA 28 N 1.08 1.66 0.00 5.00 0.00 -0.56 -1.13 119.26 125.30 1a82 h ALA 28 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a82 h ALA 28 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a82 h ALA 28 CO -0.02 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1a82 n ALA 29 N -2.49 2.13 0.00 0.00 0.00 -0.49 -4.91 120.51 114.75 1a82 n ALA 29 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1a82 n ALA 29 Cb 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1a82 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a82 n GLY 30 N 0.99 0.71 3.82 0.00 0.00 -0.43 -5.09 105.19 105.20 1a82 n GLY 30 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1a82 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a82 s TYR 31 N -2.00 3.19 -0.56 1.61 2.02 -0.73 -5.01 117.35 115.87 1a82 s TYR 31 Ca 0.00 1.50 -0.18 0.00 -0.37 0.00 0.00 57.07 58.02 1a82 s TYR 31 Cb 0.00 -2.92 0.10 0.00 -0.40 0.00 0.00 41.96 38.74 1a82 s TYR 31 CO 0.00 -0.75 0.64 1.03 -1.57 0.00 0.00 175.55 174.90 1a82 s ARG 32 N -3.98 3.04 0.23 -0.62 0.52 -1.26 -4.46 118.95 112.41 1a82 s ARG 32 Ca 0.62 -1.33 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 1a82 s ARG 32 Cb -0.13 -4.24 -0.04 0.00 0.52 0.00 0.00 34.95 31.06 1a82 s ARG 32 CO 0.33 -1.43 0.40 0.95 0.02 0.00 0.00 175.30 175.56 1a82 s THR 33 N 2.43 5.21 -0.20 0.02 -4.23 -1.26 -0.60 115.64 117.01 1a82 s THR 33 Ca 0.10 -0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 59.98 1a82 s THR 33 Cb -0.24 -3.77 0.06 0.00 1.34 0.00 0.00 72.50 69.88 1a82 s THR 33 CO 0.06 -0.25 0.49 0.00 -0.54 0.00 0.00 174.62 174.38 1a82 s ALA 34 N -1.95 -1.26 -0.01 3.99 0.00 -0.91 -3.33 121.76 118.30 1a82 s ALA 34 Ca 0.38 1.70 -0.05 0.00 0.00 0.00 0.00 51.96 53.99 1a82 s ALA 34 Cb -0.10 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1a82 s ALA 34 CO 0.30 -0.29 0.22 0.20 0.00 0.00 0.00 175.76 176.20 1a82 s GLY 35 N 1.27 2.21 -0.07 0.00 0.00 -1.26 -1.06 107.32 108.41 1a82 s GLY 35 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1a82 s GLY 35 CO -0.12 -0.51 -0.04 -0.47 0.00 0.00 0.00 173.10 171.96 1a82 s TYR 36 N -1.29 0.89 -0.63 1.90 5.04 0.15 -4.73 117.35 118.68 1a82 s TYR 36 Ca 0.27 -0.30 0.05 0.00 -2.44 0.00 0.00 57.07 54.64 1a82 s TYR 36 Cb -0.13 -0.83 0.17 0.00 0.35 0.00 0.00 41.96 41.53 1a82 s TYR 36 CO 0.16 -0.29 0.46 1.17 -1.34 0.00 0.00 175.55 175.71 1a82 n LYS 37 N 4.53 1.42 -0.30 4.97 3.00 0.08 -0.55 118.16 131.31 1a82 n LYS 37 Ca -0.17 -4.15 0.04 0.00 -0.00 0.00 0.00 58.31 54.03 1a82 n LYS 37 Cb 0.50 -2.12 0.19 0.00 0.00 0.00 0.00 35.03 33.60 1a82 n LYS 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1a82 h PRO 38 N 5.41 0.75 -4.83 1.64 0.13 -1.78 -3.37 132.00 129.95 1a82 h PRO 38 Ca 0.18 -0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 64.67 1a82 h PRO 38 Cb 0.79 -0.17 -0.34 0.00 0.13 0.00 0.00 31.00 31.41 1a82 h PRO 38 CO 0.63 0.49 -0.84 0.08 -0.23 0.00 0.00 178.00 178.13 1a82 s VAL 39 N -6.01 1.55 0.01 1.56 1.01 -1.26 -2.36 120.40 114.90 1a82 s VAL 39 Ca -0.12 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1a82 s VAL 39 Cb 0.20 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1a82 s VAL 39 CO 0.78 0.45 -0.08 0.00 0.00 0.00 0.00 175.10 176.26 1a82 s ALA 40 N 0.79 0.61 0.02 5.51 0.00 -0.22 -4.69 121.76 123.78 1a82 s ALA 40 Ca -0.11 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1a82 s ALA 40 Cb -0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1a82 s ALA 40 CO 0.02 0.11 -0.08 -1.54 0.00 0.00 0.00 175.76 174.27 1a82 s SER 41 N -0.52 0.89 0.00 0.00 1.04 -1.26 -1.04 113.70 112.80 1a82 s SER 41 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1a82 s SER 41 Cb -0.04 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1a82 s SER 41 CO 0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1a82 n GLY 42 N 2.26 0.16 3.09 7.32 0.00 -0.45 -4.69 105.19 112.88 1a82 n GLY 42 Ca -0.17 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 1a82 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a82 s SER 43 N -0.88 0.94 0.09 1.61 0.01 -0.12 -4.52 113.70 110.84 1a82 s SER 43 Ca 0.00 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.60 1a82 s SER 43 Cb 0.00 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1a82 s SER 43 CO 0.00 -0.28 0.20 -1.61 0.41 0.00 0.00 173.24 171.96 1a82 s GLU 44 N -2.22 3.30 0.30 12.44 8.01 -0.36 -4.54 118.70 135.63 1a82 s GLU 44 Ca -0.04 -0.56 -0.25 0.00 0.01 0.00 0.00 54.97 54.13 1a82 s GLU 44 Cb -0.06 -2.93 -0.10 0.00 -4.31 0.00 0.00 34.13 26.73 1a82 s GLU 44 CO -0.01 0.57 0.91 -1.59 0.01 0.00 0.00 175.26 175.14 1a82 s LYS 45 N -2.72 4.53 0.26 1.61 -2.85 -1.26 -0.21 119.74 119.10 1a82 s LYS 45 Ca 0.34 1.25 -0.03 0.00 -1.00 0.00 0.00 55.97 56.53 1a82 s LYS 45 Cb -0.12 -2.82 -0.02 0.00 -2.06 0.00 0.00 37.83 32.80 1a82 s LYS 45 CO 0.27 0.31 0.30 0.95 0.10 0.00 0.00 175.35 177.28 1a82 s THR 46 N -1.59 0.00 0.50 3.79 -4.23 -0.80 -4.88 115.64 108.42 1a82 s THR 46 Ca 0.49 -1.78 0.31 0.00 -1.18 0.00 0.00 61.69 59.52 1a82 s THR 46 Cb -0.18 -2.46 0.34 0.00 1.34 0.00 0.00 72.50 71.54 1a82 s THR 46 CO 0.23 0.00 2.17 -0.65 -0.54 0.00 0.00 174.62 175.84 1a82 h PRO 47 N 2.36 0.00 -0.02 3.99 0.11 -2.01 -2.09 132.00 134.33 1a82 h PRO 47 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1a82 h PRO 47 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1a82 h PRO 47 CO 0.43 0.06 -0.00 0.39 -0.21 0.00 0.00 178.00 178.67 1a82 n GLU 48 N -3.62 1.73 0.00 1.05 1.02 -1.26 -5.05 120.64 114.51 1a82 n GLU 48 Ca -0.02 -1.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.05 1a82 n GLU 48 Cb 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1a82 n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a82 n GLY 49 N 1.19 0.04 3.76 0.62 0.00 -0.79 -5.05 105.19 104.97 1a82 n GLY 49 Ca 0.18 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1a82 n GLY 49 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a82 s LEU 50 N 0.00 4.46 -0.07 0.99 1.43 -1.26 -1.91 118.68 122.33 1a82 s LEU 50 Ca 0.00 2.34 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 1a82 s LEU 50 Cb 0.00 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1a82 s LEU 50 CO 0.00 -0.29 -0.06 -0.13 0.23 0.00 0.00 176.35 176.09 1a82 s ARG 51 N -1.67 1.15 -0.12 1.70 1.81 0.71 -4.94 118.95 117.60 1a82 s ARG 51 Ca 0.47 -0.19 -0.13 0.00 -1.72 0.00 0.00 55.73 54.17 1a82 s ARG 51 Cb -0.33 -1.14 -0.05 0.00 -0.45 0.00 0.00 34.95 32.99 1a82 s ARG 51 CO 0.42 -0.11 0.31 1.21 -0.68 0.00 0.00 175.30 176.45 1a82 s ASN 52 N 1.12 6.53 0.35 0.23 3.84 -1.26 -1.23 114.94 124.52 1a82 s ASN 52 Ca -0.07 0.62 0.02 0.00 0.21 0.00 0.00 52.86 53.65 1a82 s ASN 52 Cb -0.14 -2.19 0.63 0.00 -0.55 0.00 0.00 41.25 39.01 1a82 s ASN 52 CO -0.01 0.19 1.99 0.77 -2.79 0.00 0.00 177.10 177.25 1a82 h SER 53 N 5.98 0.70 -0.13 -4.21 4.64 -1.97 -0.55 113.55 118.00 1a82 h SER 53 Ca -0.46 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1a82 h SER 53 Cb 1.19 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1a82 h SER 53 CO 0.70 0.53 0.04 0.44 -0.87 0.00 0.00 176.83 177.67 1a82 h ASP 54 N 0.81 0.19 -0.80 4.97 5.19 -1.95 -0.29 116.42 124.54 1a82 h ASP 54 Ca 0.21 -0.21 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1a82 h ASP 54 Cb -0.04 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.37 1a82 h ASP 54 CO -0.04 0.35 0.52 0.00 -3.12 0.00 0.00 179.24 176.94 1a82 h ALA 55 N 0.85 1.05 -0.68 3.45 0.00 -1.82 -0.30 119.26 121.80 1a82 h ALA 55 Ca 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1a82 h ALA 55 Cb 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1a82 h ALA 55 CO -0.00 0.35 0.14 -0.07 0.00 0.00 0.00 179.25 179.68 1a82 h LEU 56 N 1.02 1.04 -0.47 0.00 3.38 -0.91 0.04 115.31 119.40 1a82 h LEU 56 Ca 0.31 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1a82 h LEU 56 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1a82 h LEU 56 CO -0.10 1.01 0.08 0.00 0.09 0.00 0.00 178.44 179.51 1a82 h ALA 57 N 1.12 0.63 -0.45 1.53 0.00 -0.29 -1.25 119.26 120.55 1a82 h ALA 57 Ca 0.21 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1a82 h ALA 57 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1a82 h ALA 57 CO 0.01 0.36 0.08 -0.07 0.00 0.00 0.00 179.25 179.63 1a82 h LEU 58 N 0.66 0.71 -0.10 0.00 3.38 -0.90 -1.54 115.31 117.51 1a82 h LEU 58 Ca 0.14 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1a82 h LEU 58 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1a82 h LEU 58 CO 0.01 0.78 -0.02 -0.61 0.09 0.00 0.00 178.44 178.69 1a82 h GLN 59 N 0.61 0.01 -0.75 1.13 4.15 -0.84 -2.23 115.11 117.18 1a82 h GLN 59 Ca 0.14 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 1a82 h GLN 59 Cb 0.37 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 1a82 h GLN 59 CO 0.01 0.01 0.47 0.00 -1.93 0.00 0.00 178.83 177.38 1a82 h ARG 60 N 0.01 1.01 -0.09 1.69 3.08 -1.15 -2.70 114.38 116.22 1a82 h ARG 60 Ca 0.05 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1a82 h ARG 60 Cb 0.07 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1a82 h ARG 60 CO -0.10 0.70 0.00 0.09 -1.07 0.00 0.00 179.97 179.59 1a82 n ASN 61 N -4.39 1.13 -4.79 7.04 3.02 -0.59 -4.86 115.26 111.81 1a82 n ASN 61 Ca 0.08 -1.57 -0.38 0.00 -0.03 0.00 0.00 54.58 52.68 1a82 n ASN 61 Cb 0.06 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1a82 n ASN 61 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1a82 s SER 62 N -1.65 7.27 0.36 6.41 0.01 -0.86 -4.45 113.70 120.79 1a82 s SER 62 Ca 0.33 1.56 0.18 0.00 1.31 0.00 0.00 55.95 59.33 1a82 s SER 62 Cb 0.17 -2.47 0.64 0.00 0.21 0.00 0.00 66.02 64.57 1a82 s SER 62 CO 0.27 0.15 1.72 0.77 0.41 0.00 0.00 173.24 176.56 1a82 h SER 63 N 4.03 0.00 -3.43 2.44 4.64 -1.88 -3.44 113.55 115.91 1a82 h SER 63 Ca -0.47 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.31 1a82 h SER 63 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1a82 h SER 63 CO 0.65 0.40 -0.10 -0.76 -0.87 0.00 0.00 176.83 176.15 1a82 s LEU 64 N -7.12 4.14 -0.37 5.97 1.43 -1.22 -4.94 118.68 116.57 1a82 s LEU 64 Ca -0.00 0.92 -0.26 0.00 -1.03 0.00 0.00 54.13 53.76 1a82 s LEU 64 Cb 0.11 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.65 1a82 s LEU 64 CO 0.69 -0.11 0.91 -1.10 0.23 0.00 0.00 176.35 176.98 1a82 s GLN 65 N -2.95 3.83 0.05 1.70 -0.21 -1.26 -5.01 119.66 115.81 1a82 s GLN 65 Ca 0.47 0.55 0.06 0.00 0.02 0.00 0.00 55.36 56.47 1a82 s GLN 65 Cb -0.11 -3.80 -0.03 0.00 1.00 0.00 0.00 33.01 30.06 1a82 s GLN 65 CO 0.22 -0.94 -0.13 -0.51 -2.12 0.00 0.00 175.29 171.81 1a82 s LEU 66 N 3.44 2.88 0.36 2.90 1.43 -1.26 -5.11 118.68 123.32 1a82 s LEU 66 Ca 0.38 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 1a82 s LEU 66 Cb -0.12 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 1a82 s LEU 66 CO 0.19 0.24 1.06 -1.81 0.23 0.00 0.00 176.35 176.25 1a82 s ASP 67 N -1.66 6.93 0.17 2.29 1.01 -1.26 -4.97 116.67 119.17 1a82 s ASP 67 Ca 0.17 2.09 -0.20 0.00 0.71 0.00 0.00 52.55 55.32 1a82 s ASP 67 Cb -0.11 -2.60 0.09 0.00 1.01 0.00 0.00 42.92 41.32 1a82 s ASP 67 CO 0.08 -0.37 1.63 0.22 0.21 0.00 0.00 175.17 176.93 1a82 h TYR 68 N 2.90 -0.59 -0.17 4.23 3.20 -1.99 -1.65 116.97 122.90 1a82 h TYR 68 Ca -0.48 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.49 1a82 h TYR 68 Cb 1.21 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.80 1a82 h TYR 68 CO 0.58 -0.31 0.12 0.00 -1.64 0.00 0.00 178.16 176.92 1a82 h ALA 69 N 1.05 2.11 -0.11 1.82 0.00 -1.94 0.62 119.26 122.82 1a82 h ALA 69 Ca 0.19 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1a82 h ALA 69 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1a82 h ALA 69 CO -0.49 -0.21 -0.51 1.15 0.00 0.00 0.00 179.25 179.19 1a82 h THR 70 N 0.00 1.35 0.16 0.00 2.02 -1.70 -2.87 112.91 111.86 1a82 h THR 70 Ca 0.08 -1.77 -0.29 0.00 0.77 0.00 0.00 66.41 65.20 1a82 h THR 70 Cb 0.32 1.83 0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1a82 h THR 70 CO -0.00 0.53 -1.30 0.58 0.37 0.00 0.00 175.52 175.70 1a82 h VAL 71 N 0.23 1.43 -2.22 3.16 2.07 -0.82 -3.44 116.25 116.67 1a82 h VAL 71 Ca 0.01 -2.92 -0.47 0.00 0.82 0.00 0.00 66.70 64.14 1a82 h VAL 71 Cb 0.99 2.95 -0.35 0.00 -1.52 0.00 0.00 31.29 33.36 1a82 h VAL 71 CO 0.08 0.86 -0.78 0.21 0.02 0.00 0.00 177.57 177.97 1a82 s ASN 72 N -7.28 1.85 0.36 0.57 3.04 0.03 -0.74 114.94 112.78 1a82 s ASN 72 Ca -0.06 -1.98 0.05 0.00 0.04 0.00 0.00 52.86 50.92 1a82 s ASN 72 Cb 0.06 0.11 0.70 0.00 -1.54 0.00 0.00 41.25 40.59 1a82 s ASN 72 CO 0.90 -0.26 1.95 -0.65 -3.04 0.00 0.00 177.10 175.99 1a82 h PRO 73 N 6.84 0.53 -4.84 0.43 0.11 -1.61 -3.41 132.00 130.04 1a82 h PRO 73 Ca 0.08 -0.08 -0.68 0.00 0.11 0.00 0.00 66.00 65.43 1a82 h PRO 73 Cb 1.01 -0.09 -0.35 0.00 0.11 0.00 0.00 31.00 31.68 1a82 h PRO 73 CO 0.23 0.48 -0.75 0.71 -0.21 0.00 0.00 178.00 178.46 1a82 s TYR 74 N -5.17 3.23 -0.17 0.65 2.02 -1.00 -5.08 117.35 111.83 1a82 s TYR 74 Ca -0.08 -2.03 0.01 0.00 -0.37 0.00 0.00 57.07 54.60 1a82 s TYR 74 Cb 0.16 -2.02 0.03 0.00 -0.40 0.00 0.00 41.96 39.73 1a82 s TYR 74 CO 0.75 -0.83 -0.16 0.99 -1.57 0.00 0.00 175.55 174.74 1a82 s THR 75 N 1.20 1.80 -0.06 -0.71 2.01 -1.26 -1.06 115.64 117.55 1a82 s THR 75 Ca -0.06 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.13 1a82 s THR 75 Cb -0.19 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1a82 s THR 75 CO -0.03 0.43 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.77 1a82 s PHE 76 N 1.38 2.58 0.10 4.92 0.08 -0.21 -4.96 117.98 121.87 1a82 s PHE 76 Ca 0.03 -0.51 -0.18 0.00 0.12 0.00 0.00 56.93 56.40 1a82 s PHE 76 Cb -0.14 -1.64 -0.06 0.00 -0.57 0.00 0.00 43.02 40.61 1a82 s PHE 76 CO -0.11 -0.07 1.55 0.00 -0.10 0.00 0.00 175.22 176.49 1a82 h ALA 77 N 5.90 0.39 -2.49 5.36 0.00 -1.87 -1.16 119.26 125.39 1a82 h ALA 77 Ca -0.36 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 53.80 1a82 h ALA 77 Cb 1.17 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1a82 h ALA 77 CO 0.50 0.11 0.61 -2.00 0.00 0.00 0.00 179.25 178.47 1a82 s GLU 78 N -5.07 4.40 -1.41 0.00 2.12 -1.26 -0.95 118.70 116.53 1a82 s GLU 78 Ca -0.13 1.85 -0.15 0.00 0.36 0.00 0.00 54.97 56.90 1a82 s GLU 78 Cb 0.08 -3.33 0.06 0.00 0.26 0.00 0.00 34.13 31.20 1a82 s GLU 78 CO 0.75 -0.32 2.09 -0.35 -0.54 0.00 0.00 175.26 176.90 1a82 n PRO 79 N 3.99 2.98 -3.65 4.30 -0.04 -1.26 -2.34 135.00 138.98 1a82 n PRO 79 Ca 0.10 -2.82 -0.15 0.00 -0.04 0.00 0.00 63.50 60.59 1a82 n PRO 79 Cb 0.45 -3.31 -0.06 0.00 -0.04 0.00 0.00 33.50 30.54 1a82 n PRO 79 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1a82 n THR 80 N 5.28 0.00 -1.85 0.52 5.66 -1.26 -4.90 114.28 117.72 1a82 n THR 80 Ca 0.50 -1.80 -0.42 0.00 -3.05 0.00 0.00 64.05 59.29 1a82 n THR 80 Cb 0.40 0.89 -0.02 0.00 -1.55 0.00 0.00 70.33 70.06 1a82 n THR 80 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1a82 s SER 81 N -2.72 6.48 0.28 1.09 0.15 -1.26 -4.83 113.70 112.88 1a82 s SER 81 Ca 0.29 2.82 0.01 0.00 0.70 0.00 0.00 55.95 59.77 1a82 s SER 81 Cb 0.01 -2.62 0.64 0.00 -1.71 0.00 0.00 66.02 62.35 1a82 s SER 81 CO 0.21 -0.85 1.68 -0.65 1.20 0.00 0.00 173.24 174.82 1a82 h PRO 82 N 5.43 0.29 -0.39 5.44 0.11 -1.94 -1.91 132.00 139.05 1a82 h PRO 82 Ca -0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1a82 h PRO 82 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1a82 h PRO 82 CO 0.83 0.19 0.15 1.12 -0.21 0.00 0.00 178.00 180.08 1a82 h HIS 83 N 0.30 0.54 0.13 0.65 2.07 -1.57 -0.50 115.15 116.78 1a82 h HIS 83 Ca 0.52 -0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 58.01 1a82 h HIS 83 Cb 0.97 -0.17 0.00 0.00 2.57 0.00 0.00 27.41 30.78 1a82 h HIS 83 CO -0.22 0.44 -0.06 0.82 -3.07 0.00 0.00 177.93 175.84 1a82 h ILE 84 N 0.55 1.05 -0.14 6.12 2.04 -1.67 -2.15 117.51 123.31 1a82 h ILE 84 Ca 0.13 -0.97 -0.13 0.00 1.00 0.00 0.00 64.86 64.89 1a82 h ILE 84 Cb 0.13 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1a82 h ILE 84 CO -0.01 0.22 -0.47 -0.29 0.00 0.00 0.00 178.15 177.60 1a82 h ILE 85 N -0.65 1.33 -0.52 -0.67 6.09 -1.52 -2.21 117.51 119.36 1a82 h ILE 85 Ca -0.02 -1.68 -0.03 0.00 -1.37 0.00 0.00 64.86 61.76 1a82 h ILE 85 Cb 0.50 1.74 -0.02 0.00 0.47 0.00 0.00 36.82 39.51 1a82 h ILE 85 CO 0.03 0.51 0.22 -1.28 -3.07 0.00 0.00 178.15 174.56 1a82 h SER 86 N 0.29 0.71 -0.25 2.19 0.87 -1.12 -0.44 113.55 115.79 1a82 h SER 86 Ca 0.02 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1a82 h SER 86 Cb 0.94 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1a82 h SER 86 CO 0.08 0.67 0.00 0.00 -0.53 0.00 0.00 176.83 177.05 1a82 h ALA 87 N 1.07 0.34 -0.80 6.23 0.00 -1.33 0.27 119.26 125.04 1a82 h ALA 87 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1a82 h ALA 87 Cb 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1a82 h ALA 87 CO -0.02 0.07 0.46 0.37 0.00 0.00 0.00 179.25 180.14 1a82 h GLN 88 N 0.22 1.09 -0.01 0.00 5.75 -1.27 -2.21 115.11 118.68 1a82 h GLN 88 Ca 0.07 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1a82 h GLN 88 Cb 0.41 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1a82 h GLN 88 CO 0.01 0.77 -0.27 0.39 -2.65 0.00 0.00 178.83 177.09 1a82 n GLU 89 N -4.37 0.83 -3.32 1.69 1.02 -0.19 -4.96 120.64 111.33 1a82 n GLU 89 Ca 0.08 -0.49 -0.19 0.00 -0.02 0.00 0.00 57.16 56.54 1a82 n GLU 89 Cb 0.08 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.07 1a82 n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a82 n GLY 90 N 1.35 -0.26 2.81 0.62 0.00 -0.02 -4.99 105.19 104.70 1a82 n GLY 90 Ca 0.12 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1a82 n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a82 s ARG 91 N -5.99 1.61 0.36 1.61 3.52 -0.59 -5.05 118.95 114.42 1a82 s ARG 91 Ca 0.45 -2.31 -0.27 0.00 -0.13 0.00 0.00 55.73 53.47 1a82 s ARG 91 Cb -0.20 -2.77 -0.12 0.00 -1.56 0.00 0.00 34.95 30.31 1a82 s ARG 91 CO 0.55 -1.15 1.20 -2.30 -0.81 0.00 0.00 175.30 172.80 1a82 n PRO 92 N 3.30 1.85 -3.45 5.12 -0.02 -1.26 -4.72 135.00 135.82 1a82 n PRO 92 Ca 0.08 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.81 1a82 n PRO 92 Cb 0.34 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 1a82 n PRO 92 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1a82 s ILE 93 N -1.14 5.21 -0.19 4.25 1.01 -1.26 -5.06 121.20 124.01 1a82 s ILE 93 Ca 0.58 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 61.39 1a82 s ILE 93 Cb -0.57 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1a82 s ILE 93 CO 0.60 0.06 -0.00 -0.70 0.00 0.00 0.00 174.94 174.90 1a82 s GLU 94 N 1.95 3.64 0.19 2.79 2.56 -1.26 -4.91 118.70 123.67 1a82 s GLU 94 Ca 0.11 -0.51 -0.13 0.00 0.00 0.00 0.00 54.97 54.44 1a82 s GLU 94 Cb -0.16 -3.06 0.21 0.00 2.00 0.00 0.00 34.13 33.12 1a82 s GLU 94 CO 0.11 0.06 1.67 1.03 -0.56 0.00 0.00 175.26 177.56 1a82 h SER 95 N 7.35 -0.29 -0.92 -1.70 0.87 -1.99 -0.59 113.55 116.28 1a82 h SER 95 Ca -0.35 0.14 0.12 0.00 -1.23 0.00 0.00 61.79 60.46 1a82 h SER 95 Cb 1.18 0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 63.31 1a82 h SER 95 CO 0.62 -0.11 0.55 -0.07 -0.53 0.00 0.00 176.83 177.29 1a82 h LEU 96 N 0.09 0.78 -0.33 2.23 4.07 -1.99 0.30 115.31 120.46 1a82 h LEU 96 Ca 0.27 0.06 -0.12 0.00 0.08 0.00 0.00 57.88 58.17 1a82 h LEU 96 Cb 0.42 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1a82 h LEU 96 CO -0.47 0.41 -0.26 0.58 -1.08 0.00 0.00 178.44 177.62 1a82 h VAL 97 N 0.87 1.29 -0.62 1.22 2.07 -1.56 -0.36 116.25 119.16 1a82 h VAL 97 Ca 0.46 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1a82 h VAL 97 Cb 0.48 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1a82 h VAL 97 CO -0.28 0.46 0.31 0.24 0.02 0.00 0.00 177.57 178.33 1a82 h MET 98 N 0.54 0.88 -0.49 1.57 2.86 -0.74 -0.86 114.93 118.69 1a82 h MET 98 Ca 0.06 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1a82 h MET 98 Cb 0.83 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1a82 h MET 98 CO 0.07 0.70 -0.17 0.77 1.06 0.00 0.00 176.91 179.33 1a82 h SER 99 N 0.85 0.97 -0.83 1.22 0.02 -0.86 -2.60 113.55 112.32 1a82 h SER 99 Ca 0.21 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1a82 h SER 99 Cb 0.09 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1a82 h SER 99 CO -0.03 1.12 0.37 0.00 -1.14 0.00 0.00 176.83 177.15 1a82 h ALA 100 N 0.95 1.07 -0.64 3.77 0.00 -0.79 -2.34 119.26 121.29 1a82 h ALA 100 Ca 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1a82 h ALA 100 Cb 0.73 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1a82 h ALA 100 CO 0.06 0.67 0.24 0.78 0.00 0.00 0.00 179.25 181.00 1a82 h GLY 101 N 1.20 1.02 0.89 0.00 0.00 -0.97 -0.99 103.07 104.23 1a82 h GLY 101 Ca 0.28 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1a82 h GLY 101 CO -0.03 0.51 0.08 -2.00 0.00 0.00 0.00 176.54 175.10 1a82 h LEU 102 N 0.93 0.42 -1.05 3.11 5.85 -1.07 -2.64 115.31 120.87 1a82 h LEU 102 Ca 0.22 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1a82 h LEU 102 Cb 0.21 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1a82 h LEU 102 CO -0.02 0.53 0.55 0.03 -0.34 0.00 0.00 178.44 179.19 1a82 h ARG 103 N 0.30 1.19 -0.83 1.25 2.47 -1.11 -2.23 114.38 115.42 1a82 h ARG 103 Ca 0.09 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1a82 h ARG 103 Cb 0.26 -0.26 -0.04 0.00 -1.65 0.00 0.00 29.97 28.29 1a82 h ARG 103 CO -0.00 0.82 0.51 0.00 0.56 0.00 0.00 179.97 181.86 1a82 h ALA 104 N 1.39 1.05 -0.40 0.04 0.00 -1.04 -1.95 119.26 118.35 1a82 h ALA 104 Ca 0.32 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1a82 h ALA 104 Cb -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1a82 h ALA 104 CO -0.06 0.51 -0.11 -0.07 0.00 0.00 0.00 179.25 179.52 1a82 h LEU 105 N 1.13 0.69 -0.07 0.00 3.38 -1.10 -2.29 115.31 117.06 1a82 h LEU 105 Ca 0.30 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1a82 h LEU 105 Cb -0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1a82 h LEU 105 CO -0.06 0.83 0.00 -0.62 0.09 0.00 0.00 178.44 178.68 1a82 n GLU 106 N -4.18 0.02 0.17 1.13 1.02 -0.77 -0.83 120.64 117.19 1a82 n GLU 106 Ca 0.01 0.32 0.02 0.00 -0.02 0.00 0.00 57.16 57.49 1a82 n GLU 106 Cb 0.35 -1.53 0.33 0.00 -0.02 0.00 0.00 31.44 30.57 1a82 n GLU 106 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1a82 h GLN 107 N 0.00 0.04 0.00 3.49 4.20 -0.98 -3.36 115.11 118.51 1a82 h GLN 107 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1a82 h GLN 107 Cb 0.21 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1a82 h GLN 107 CO 0.00 0.41 -0.97 0.00 -0.67 0.00 0.00 178.83 177.60 1a82 n GLN 108 N -4.09 0.94 -4.03 1.46 10.64 -0.69 -5.07 117.38 116.54 1a82 n GLN 108 Ca -0.02 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.85 1a82 n GLN 108 Cb 0.42 -0.99 -0.06 0.00 -0.86 0.00 0.00 30.24 28.75 1a82 n GLN 108 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1a82 s ALA 109 N -1.95 3.63 -0.90 2.61 0.00 -0.01 -4.93 121.76 120.20 1a82 s ALA 109 Ca 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 51.96 51.05 1a82 s ALA 109 Cb 0.00 -1.48 0.23 0.00 0.00 0.00 0.00 23.12 21.87 1a82 s ALA 109 CO 0.00 0.74 1.14 -0.40 0.00 0.00 0.00 175.76 177.24 1a82 n ASP 110 N 0.37 2.61 -3.40 0.00 5.68 0.23 -4.53 116.55 117.51 1a82 n ASP 110 Ca -0.08 -1.88 -0.12 0.00 -0.50 0.00 0.00 54.79 52.21 1a82 n ASP 110 Cb 0.52 -0.16 -0.10 0.00 -1.14 0.00 0.00 41.12 40.24 1a82 n ASP 110 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1a82 s TRP 111 N -0.96 -0.64 -0.07 2.11 -0.00 -1.07 -1.37 118.94 116.94 1a82 s TRP 111 Ca 0.19 0.62 0.06 0.00 -0.00 0.00 0.00 56.10 56.96 1a82 s TRP 111 Cb 0.10 -0.11 -0.01 0.00 -0.00 0.00 0.00 33.47 33.45 1a82 s TRP 111 CO 0.14 -0.68 -0.24 0.08 -0.00 0.00 0.00 176.95 176.24 1a82 s VAL 112 N 2.47 2.02 -0.12 5.86 1.01 0.92 -2.13 120.40 130.43 1a82 s VAL 112 Ca 0.11 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1a82 s VAL 112 Cb -0.16 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1a82 s VAL 112 CO -0.15 0.56 -0.15 -0.22 0.00 0.00 0.00 175.10 175.14 1a82 s LEU 113 N -0.03 2.61 -0.25 3.92 0.20 -0.23 -1.19 118.68 123.71 1a82 s LEU 113 Ca -0.07 -0.36 -0.02 0.00 0.69 0.00 0.00 54.13 54.37 1a82 s LEU 113 Cb -0.15 -1.57 0.02 0.00 -0.43 0.00 0.00 46.19 44.07 1a82 s LEU 113 CO 0.05 0.18 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.54 1a82 s VAL 114 N 0.26 2.93 -0.09 1.68 1.01 0.72 0.32 120.40 127.23 1a82 s VAL 114 Ca -0.11 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 1a82 s VAL 114 Cb -0.16 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1a82 s VAL 114 CO 0.06 0.21 0.46 -0.70 0.00 0.00 0.00 175.10 175.13 1a82 s GLU 115 N 1.34 4.27 0.00 2.72 2.12 0.29 0.30 118.70 129.74 1a82 s GLU 115 Ca 0.01 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1a82 s GLU 115 Cb -0.16 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1a82 s GLU 115 CO -0.04 0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 1a82 n GLY 116 N 2.97 -0.57 2.89 -1.50 0.00 -0.69 -4.43 105.19 103.87 1a82 n GLY 116 Ca -0.08 -1.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 1a82 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a82 s ALA 117 N -3.98 0.58 0.00 4.61 0.00 -1.26 -4.97 121.76 116.74 1a82 s ALA 117 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1a82 s ALA 117 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1a82 s ALA 117 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1a82 n GLY 118 N 3.86 2.84 0.00 0.00 0.00 -1.26 -4.60 105.19 106.03 1a82 n GLY 118 Ca -0.24 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1a82 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a82 n GLY 119 N 0.00 2.35 0.17 -0.02 0.00 -1.26 -4.30 105.19 102.13 1a82 n GLY 119 Ca 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 1a82 n GLY 119 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1a82 h TRP 120 N 0.12 -0.07 -0.36 1.61 2.91 -1.86 -3.06 115.95 115.24 1a82 h TRP 120 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1a82 h TRP 120 Cb 0.00 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1a82 h TRP 120 CO 0.00 -0.11 0.00 1.19 -1.03 0.00 0.00 178.44 178.49 1a82 n PHE 121 N -5.23 1.07 -1.67 2.65 3.72 -1.26 -2.84 117.46 113.90 1a82 n PHE 121 Ca 0.03 -0.39 -0.50 0.00 -0.05 0.00 0.00 57.45 56.54 1a82 n PHE 121 Cb 0.22 -0.27 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 1a82 n PHE 121 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1a82 n THR 122 N 0.45 0.51 -2.31 4.37 -1.04 -1.16 -4.65 114.28 110.45 1a82 n THR 122 Ca 0.16 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.67 1a82 n THR 122 Cb 0.70 -1.77 -0.02 0.00 -1.82 0.00 0.00 70.33 67.42 1a82 n THR 122 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1a82 s PRO 123 N 4.22 4.11 -0.11 -2.82 0.02 -1.26 -0.79 135.00 138.37 1a82 s PRO 123 Ca 0.95 1.83 0.13 0.00 0.02 0.00 0.00 61.00 63.93 1a82 s PRO 123 Cb -0.76 -2.72 -0.18 0.00 0.02 0.00 0.00 34.50 30.87 1a82 s PRO 123 CO 0.54 -0.27 0.11 1.28 -0.33 0.00 0.00 177.00 178.33 1a82 n LEU 124 N 0.17 0.00 0.00 -5.54 4.77 0.52 -2.30 117.00 114.62 1a82 n LEU 124 Ca 0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 1a82 n LEU 124 Cb 0.46 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 1a82 n LEU 124 CO 0.51 0.26 0.13 -1.54 -1.33 0.00 0.00 177.39 175.41 1a82 n SER 125 N -2.39 -0.92 0.04 -1.43 3.41 -0.64 -3.87 113.62 107.82 1a82 n SER 125 Ca -0.18 -2.21 0.10 0.00 -0.26 0.00 0.00 58.87 56.32 1a82 n SER 125 Cb 0.82 1.70 0.40 0.00 -0.26 0.00 0.00 64.21 66.87 1a82 n SER 125 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1a82 n ASP 126 N -1.77 0.24 0.00 4.04 9.92 -1.26 -3.41 116.55 124.31 1a82 n ASP 126 Ca -0.00 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 1a82 n ASP 126 Cb 0.38 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1a82 n ASP 126 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1a82 n THR 127 N -1.75 0.33 -3.76 -3.53 -2.24 -1.26 -5.07 114.28 97.01 1a82 n THR 127 Ca 0.04 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1a82 n THR 127 Cb 0.22 0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 1a82 n THR 127 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1a82 s PHE 128 N -0.33 -0.13 0.38 4.78 5.36 -1.22 -5.10 117.98 121.72 1a82 s PHE 128 Ca 0.00 0.42 0.08 0.00 -0.96 0.00 0.00 56.93 56.46 1a82 s PHE 128 Cb 0.00 -0.10 -0.05 0.00 -0.34 0.00 0.00 43.02 42.53 1a82 s PHE 128 CO 0.00 -0.15 0.14 0.95 -1.46 0.00 0.00 175.22 174.70 1a82 s THR 129 N 1.11 2.54 0.28 0.12 -4.23 -1.26 -0.35 115.64 113.84 1a82 s THR 129 Ca -0.09 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 58.65 1a82 s THR 129 Cb -0.11 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 70.99 1a82 s THR 129 CO -0.05 -0.08 1.91 0.15 -0.54 0.00 0.00 174.62 176.01 1a82 h PHE 130 N 1.52 1.04 -0.92 3.99 3.04 -1.19 -1.89 116.94 122.53 1a82 h PHE 130 Ca -0.43 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 61.61 1a82 h PHE 130 Cb 1.25 -0.34 -0.07 0.00 2.56 0.00 0.00 35.95 39.36 1a82 h PHE 130 CO 0.64 0.72 0.59 0.00 -2.02 0.00 0.00 178.31 178.24 1a82 h ALA 131 N 1.40 1.61 -0.74 2.41 0.00 -1.78 -0.76 119.26 121.40 1a82 h ALA 131 Ca 0.27 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1a82 h ALA 131 Cb 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1a82 h ALA 131 CO -0.05 0.20 0.47 -0.44 0.00 0.00 0.00 179.25 179.43 1a82 h ASP 132 N 0.92 0.79 -0.26 0.00 3.32 -1.68 -1.14 116.42 118.38 1a82 h ASP 132 Ca 0.43 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.41 1a82 h ASP 132 Cb 0.42 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1a82 h ASP 132 CO -0.20 0.56 -0.11 -0.25 -1.72 0.00 0.00 179.24 177.52 1a82 h TRP 133 N 0.94 0.61 -0.97 4.55 7.01 -1.14 -1.47 115.95 125.47 1a82 h TRP 133 Ca 0.29 -0.15 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1a82 h TRP 133 Cb -0.02 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 26.85 1a82 h TRP 133 CO -0.03 0.78 0.64 0.28 -2.79 0.00 0.00 178.44 177.32 1a82 h VAL 134 N 0.26 1.23 -0.56 2.65 2.07 -0.97 -0.58 116.25 120.34 1a82 h VAL 134 Ca 0.06 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1a82 h VAL 134 Cb 0.61 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1a82 h VAL 134 CO 0.03 0.24 -0.03 0.74 0.02 0.00 0.00 177.57 178.57 1a82 h THR 135 N 1.30 1.26 -0.33 2.57 2.02 -1.08 -1.02 112.91 117.62 1a82 h THR 135 Ca 0.37 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1a82 h THR 135 Cb -0.11 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1a82 h THR 135 CO -0.09 0.42 0.17 -0.61 0.37 0.00 0.00 175.52 175.78 1a82 h GLN 136 N 0.90 0.47 0.00 6.66 4.15 -0.60 -2.74 115.11 123.96 1a82 h GLN 136 Ca 0.16 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1a82 h GLN 136 Cb 0.57 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1a82 h GLN 136 CO 0.03 0.41 0.00 0.39 -1.93 0.00 0.00 178.83 177.73 1a82 n GLU 137 N -4.77 0.17 -3.80 1.69 -0.58 -0.29 -4.91 120.64 108.15 1a82 n GLU 137 Ca -0.01 0.28 -0.27 0.00 -0.42 0.00 0.00 57.16 56.73 1a82 n GLU 137 Cb 0.09 -1.76 0.04 0.00 -0.57 0.00 0.00 31.44 29.24 1a82 n GLU 137 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1a82 n GLN 138 N -2.07 -6.14 -2.78 3.49 1.13 -0.41 -4.95 117.38 105.67 1a82 n GLN 138 Ca 0.04 0.67 -0.40 0.00 -1.94 0.00 0.00 57.00 55.36 1a82 n GLN 138 Cb 0.31 -5.57 -0.05 0.00 0.11 0.00 0.00 30.24 25.03 1a82 n GLN 138 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1a82 s LEU 139 N -7.20 4.56 0.34 1.08 1.43 -1.16 -4.99 118.68 112.74 1a82 s LEU 139 Ca 0.55 1.81 -0.28 0.00 -1.03 0.00 0.00 54.13 55.19 1a82 s LEU 139 Cb -0.27 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 1a82 s LEU 139 CO 0.80 0.04 1.20 -2.84 0.23 0.00 0.00 176.35 175.78 1a82 s PRO 140 N -0.52 4.32 -0.11 1.29 0.02 -1.26 -4.62 135.00 134.12 1a82 s PRO 140 Ca 0.43 1.96 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 1a82 s PRO 140 Cb -0.24 -2.95 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 1a82 s PRO 140 CO 0.30 -0.13 -0.02 0.08 -0.33 0.00 0.00 177.00 176.90 1a82 s VAL 141 N -1.25 4.07 -0.20 3.83 1.01 0.37 -0.62 120.40 127.61 1a82 s VAL 141 Ca 0.51 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1a82 s VAL 141 Cb -0.34 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1a82 s VAL 141 CO 0.44 0.57 -0.04 -0.63 0.00 0.00 0.00 175.10 175.44 1a82 s ILE 142 N -0.45 3.56 -0.26 2.22 1.01 0.12 -0.02 121.20 127.38 1a82 s ILE 142 Ca 0.08 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 1a82 s ILE 142 Cb -0.12 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1a82 s ILE 142 CO 0.02 0.44 0.33 -0.22 0.00 0.00 0.00 174.94 175.51 1a82 s LEU 143 N 1.06 4.05 -0.26 2.97 2.96 0.01 -1.52 118.68 127.95 1a82 s LEU 143 Ca 0.01 0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 54.02 1a82 s LEU 143 Cb -0.15 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1a82 s LEU 143 CO 0.00 -0.14 0.35 -0.69 -1.32 0.00 0.00 176.35 174.56 1a82 s VAL 144 N 1.90 5.20 -0.32 1.68 1.01 0.01 -0.60 120.40 129.28 1a82 s VAL 144 Ca 0.13 0.53 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 1a82 s VAL 144 Cb -0.16 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1a82 s VAL 144 CO 0.10 0.18 0.10 -0.69 0.00 0.00 0.00 175.10 174.79 1a82 s VAL 145 N 1.93 3.93 -0.26 2.92 1.01 0.21 -2.39 120.40 127.74 1a82 s VAL 145 Ca 0.14 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1a82 s VAL 145 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1a82 s VAL 145 CO 0.10 -0.05 1.22 -0.83 0.00 0.00 0.00 175.10 175.54 1a82 s GLY 146 N 1.46 1.51 -0.57 4.51 0.00 -1.25 -0.77 107.32 112.21 1a82 s GLY 146 Ca 0.01 0.17 -0.27 0.00 0.00 0.00 0.00 44.72 44.62 1a82 s GLY 146 CO 0.03 2.47 1.74 0.14 0.00 0.00 0.00 173.10 177.47 1a82 s VAL 147 N 3.91 3.47 0.23 1.40 1.01 -0.10 -4.71 120.40 125.60 1a82 s VAL 147 Ca 0.53 0.34 -0.23 0.00 0.00 0.00 0.00 61.98 62.62 1a82 s VAL 147 Cb -0.17 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1a82 s VAL 147 CO 0.18 -0.93 0.81 -1.59 0.00 0.00 0.00 175.10 173.57 1a82 s LYS 148 N 6.48 1.55 0.18 2.72 -2.85 -1.26 -4.46 119.74 122.10 1a82 s LYS 148 Ca 0.65 -0.85 -0.33 0.00 -1.00 0.00 0.00 55.97 54.43 1a82 s LYS 148 Cb -0.13 0.53 -0.14 0.00 -2.06 0.00 0.00 37.83 36.03 1a82 s LYS 148 CO 0.23 -0.71 1.56 -0.11 0.10 0.00 0.00 175.35 176.43 1a82 n LEU 149 N -0.46 3.21 0.00 2.77 7.94 -1.26 -1.73 117.00 127.47 1a82 n LEU 149 Ca -0.05 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 1a82 n LEU 149 Cb 0.60 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1a82 n LEU 149 CO 0.14 -0.26 0.00 0.61 -1.11 0.00 0.00 177.39 176.77 1a82 n GLY 150 N 3.22 1.46 0.18 -3.96 0.00 -1.26 -4.95 105.19 99.88 1a82 n GLY 150 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1a82 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a82 h ILE 152 N 0.06 0.59 -0.24 0.00 2.04 -1.93 0.24 117.51 118.27 1a82 h ILE 152 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1a82 h ILE 152 Cb 0.78 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1a82 h ILE 152 CO 0.06 0.00 -0.07 -1.13 0.00 0.00 0.00 178.15 177.01 1a82 h ASN 153 N -0.50 -0.25 -0.73 1.72 -1.24 -1.97 0.39 115.58 113.00 1a82 h ASN 153 Ca -0.03 0.08 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 1a82 h ASN 153 Cb 0.41 0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.59 1a82 h ASN 153 CO 0.04 -0.09 0.30 0.45 -1.29 0.00 0.00 177.43 176.83 1a82 h HIS 154 N -0.01 1.10 -0.37 0.67 3.86 -1.33 -0.27 115.15 118.79 1a82 h HIS 154 Ca 0.12 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1a82 h HIS 154 Cb 0.19 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1a82 h HIS 154 CO -0.25 0.84 0.08 0.00 0.86 0.00 0.00 177.93 179.46 1a82 h ALA 155 N 1.14 0.49 -0.42 2.45 0.00 -0.20 -1.39 119.26 121.33 1a82 h ALA 155 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1a82 h ALA 155 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1a82 h ALA 155 CO -0.02 0.17 0.20 0.52 0.00 0.00 0.00 179.25 180.12 1a82 h MET 156 N 0.45 0.61 0.01 0.00 2.07 -0.67 -0.42 114.93 116.98 1a82 h MET 156 Ca 0.12 -0.09 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 1a82 h MET 156 Cb 0.32 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 1a82 h MET 156 CO 0.00 0.53 -0.03 -0.07 1.07 0.00 0.00 176.91 178.41 1a82 h LEU 157 N 0.54 -0.10 -0.36 1.22 3.38 -0.95 -1.67 115.31 117.37 1a82 h LEU 157 Ca 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1a82 h LEU 157 Cb 0.13 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1a82 h LEU 157 CO -0.02 -0.05 0.13 0.74 0.09 0.00 0.00 178.44 179.33 1a82 h THR 158 N -0.07 1.20 -0.62 0.22 2.02 -1.13 -2.23 112.91 112.31 1a82 h THR 158 Ca 0.01 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.56 1a82 h THR 158 Cb 0.08 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1a82 h THR 158 CO -0.03 0.22 0.40 0.00 0.37 0.00 0.00 175.52 176.49 1a82 h ALA 159 N 0.97 0.79 -0.40 6.16 0.00 -1.00 -1.37 119.26 124.40 1a82 h ALA 159 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1a82 h ALA 159 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1a82 h ALA 159 CO -0.01 0.19 0.21 0.37 0.00 0.00 0.00 179.25 180.01 1a82 h GLN 160 N 0.81 0.56 -0.62 0.00 4.15 -1.08 -2.00 115.11 116.93 1a82 h GLN 160 Ca 0.23 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 1a82 h GLN 160 Cb -0.07 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 1a82 h GLN 160 CO -0.06 0.47 0.12 0.28 -1.93 0.00 0.00 178.83 177.71 1a82 h VAL 161 N 0.51 1.26 0.01 2.39 2.07 -1.19 -0.87 116.25 120.43 1a82 h VAL 161 Ca 0.14 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1a82 h VAL 161 Cb 0.08 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1a82 h VAL 161 CO -0.02 0.36 -0.01 0.40 0.02 0.00 0.00 177.57 178.33 1a82 h ILE 162 N 0.93 1.03 -0.82 4.57 2.04 -1.14 -1.67 117.51 122.45 1a82 h ILE 162 Ca 0.19 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1a82 h ILE 162 Cb 0.40 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1a82 h ILE 162 CO 0.01 0.04 0.43 1.56 0.00 0.00 0.00 178.15 180.19 1a82 h GLN 163 N -0.08 1.15 -0.96 2.37 4.20 -1.24 -2.30 115.11 118.26 1a82 h GLN 163 Ca -0.00 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1a82 h GLN 163 Cb 0.07 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 27.58 1a82 h GLN 163 CO 0.00 0.85 0.60 1.25 -0.67 0.00 0.00 178.83 180.86 1a82 h HIS 164 N 1.15 1.24 0.00 2.96 2.76 -0.85 -0.86 115.15 121.55 1a82 h HIS 164 Ca 0.29 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1a82 h HIS 164 Cb 0.05 -0.41 0.00 0.00 1.55 0.00 0.00 27.41 28.60 1a82 h HIS 164 CO 0.01 0.81 0.00 0.00 -1.30 0.00 0.00 177.93 177.45 1a82 n ALA 165 N -2.39 1.92 -0.97 5.26 0.00 -0.66 -4.80 120.51 118.87 1a82 n ALA 165 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1a82 n ALA 165 Cb 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1a82 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a82 n GLY 166 N -0.25 0.48 3.93 0.00 0.00 -0.33 -5.02 105.19 104.00 1a82 n GLY 166 Ca 0.09 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1a82 n GLY 166 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a82 s LEU 167 N 0.00 3.90 -0.18 0.99 1.43 -1.07 -5.03 118.68 118.72 1a82 s LEU 167 Ca 0.00 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 53.57 1a82 s LEU 167 Cb 0.00 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1a82 s LEU 167 CO 0.00 -0.37 0.41 -0.89 0.23 0.00 0.00 176.35 175.74 1a82 s THR 168 N -2.41 5.20 -0.65 5.49 2.01 -1.26 -4.22 115.64 119.80 1a82 s THR 168 Ca 0.43 0.75 -0.20 0.00 0.31 0.00 0.00 61.69 62.98 1a82 s THR 168 Cb -0.10 -3.74 0.09 0.00 0.01 0.00 0.00 72.50 68.76 1a82 s THR 168 CO 0.38 0.27 0.84 -0.22 -0.69 0.00 0.00 174.62 175.19 1a82 s LEU 169 N 1.15 5.01 0.42 4.42 2.96 -1.26 -0.48 118.68 130.89 1a82 s LEU 169 Ca 0.20 -1.33 0.20 0.00 -0.22 0.00 0.00 54.13 52.98 1a82 s LEU 169 Cb -0.15 -2.35 0.92 0.00 0.50 0.00 0.00 46.19 45.11 1a82 s LEU 169 CO 0.08 -1.23 1.85 0.00 -1.32 0.00 0.00 176.35 175.73 1a82 h ALA 170 N 9.29 1.16 0.00 5.97 0.00 -0.77 -3.44 119.26 131.47 1a82 h ALA 170 Ca -0.25 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a82 h ALA 170 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1a82 h ALA 170 CO 1.13 0.37 0.00 0.41 0.00 0.00 0.00 179.25 181.15 1a82 n GLY 171 N -0.18 0.31 3.17 0.00 0.00 -1.21 -4.39 105.19 102.89 1a82 n GLY 171 Ca -0.01 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 1a82 n GLY 171 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1a82 s TRP 172 N -2.00 1.07 -0.10 1.61 1.48 -0.65 -0.81 118.94 119.55 1a82 s TRP 172 Ca 0.00 -0.62 0.02 0.00 -1.06 0.00 0.00 56.10 54.44 1a82 s TRP 172 Cb 0.00 -0.59 0.01 0.00 -1.16 0.00 0.00 33.47 31.74 1a82 s TRP 172 CO 0.00 0.01 -0.16 0.08 -4.06 0.00 0.00 176.95 172.82 1a82 s VAL 173 N -2.26 1.48 -0.16 -0.66 1.01 0.24 -0.68 120.40 119.37 1a82 s VAL 173 Ca 0.04 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1a82 s VAL 173 Cb -0.04 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1a82 s VAL 173 CO 0.00 0.43 0.71 0.00 0.00 0.00 0.00 175.10 176.25 1a82 s ALA 174 N 0.83 3.49 -0.18 5.51 0.00 -0.83 -0.62 121.76 129.95 1a82 s ALA 174 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1a82 s ALA 174 Cb -0.15 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 19.93 1a82 s ALA 174 CO 0.01 -0.48 -0.17 1.21 0.00 0.00 0.00 175.76 176.33 1a82 s ASN 175 N 1.08 3.38 -0.98 0.00 2.47 0.05 -1.04 114.94 119.91 1a82 s ASN 175 Ca 0.34 -0.59 -0.22 0.00 0.42 0.00 0.00 52.86 52.81 1a82 s ASN 175 Cb -0.16 -1.53 0.07 0.00 -1.45 0.00 0.00 41.25 38.17 1a82 s ASN 175 CO 0.13 0.00 1.36 -1.81 -3.72 0.00 0.00 177.10 173.07 1a82 s ASP 176 N 1.28 6.50 0.51 -4.21 1.01 -0.39 -0.93 116.67 120.43 1a82 s ASP 176 Ca 0.04 -1.50 0.30 0.00 0.71 0.00 0.00 52.55 52.09 1a82 s ASP 176 Cb -0.13 -2.53 1.18 0.00 1.01 0.00 0.00 42.92 42.44 1a82 s ASP 176 CO -0.10 -1.44 1.92 -0.37 0.21 0.00 0.00 175.17 175.39 1a82 h VAL 177 N 6.54 0.23 -3.69 -1.27 -1.51 -1.88 -3.29 116.25 111.37 1a82 h VAL 177 Ca 0.15 -0.75 -0.35 0.00 -1.23 0.00 0.00 66.70 64.53 1a82 h VAL 177 Cb 1.02 1.61 -0.14 0.00 -2.13 0.00 0.00 31.29 31.65 1a82 h VAL 177 CO 1.35 0.09 -0.63 0.42 -1.23 0.00 0.00 177.57 177.57 1a82 s THR 178 N -3.67 0.65 0.90 7.19 -4.23 -1.26 -4.99 115.64 110.23 1a82 s THR 178 Ca 0.01 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.42 1a82 s THR 178 Cb 0.09 -2.53 0.14 0.00 1.34 0.00 0.00 72.50 71.55 1a82 s THR 178 CO 0.58 -0.11 1.14 -2.84 -0.54 0.00 0.00 174.62 172.85 1a82 s PRO 179 N -3.99 1.12 -0.16 3.99 0.02 -1.26 -4.68 135.00 130.03 1a82 s PRO 179 Ca 0.34 1.51 -0.39 0.00 0.02 0.00 0.00 61.00 62.49 1a82 s PRO 179 Cb 0.07 -1.74 -0.16 0.00 0.02 0.00 0.00 34.50 32.69 1a82 s PRO 179 CO 0.12 -2.55 1.63 -2.30 -0.33 0.00 0.00 177.00 173.56 1a82 n PRO 180 N -4.18 1.19 -3.33 5.54 -0.02 -1.26 -4.97 135.00 127.97 1a82 n PRO 180 Ca 0.12 0.44 -0.20 0.00 -2.02 0.00 0.00 63.50 61.83 1a82 n PRO 180 Cb 0.52 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1a82 n PRO 180 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1a82 s GLY 181 N 2.61 2.03 0.18 -1.23 0.00 -1.26 -5.05 107.32 104.60 1a82 s GLY 181 Ca 0.94 -1.80 -0.13 0.00 0.00 0.00 0.00 44.72 43.73 1a82 s GLY 181 CO 0.59 -1.66 1.73 1.70 0.00 0.00 0.00 173.10 175.46 1a82 h LYS 182 N 0.71 0.28 -0.92 2.90 3.64 -2.05 -2.98 116.57 118.16 1a82 h LYS 182 Ca -0.38 -0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 58.36 1a82 h LYS 182 Cb 1.28 -0.06 -0.32 0.00 -0.41 0.00 0.00 32.23 32.72 1a82 h LYS 182 CO 0.50 0.19 0.44 0.54 -2.27 0.00 0.00 179.45 178.85 1a82 n ARG 183 N -5.06 2.84 0.03 1.90 5.12 -1.26 -4.75 116.66 115.48 1a82 n ARG 183 Ca 0.05 -3.47 -0.12 0.00 -1.93 0.00 0.00 57.85 52.39 1a82 n ARG 183 Cb 0.21 -2.26 -0.06 0.00 -1.16 0.00 0.00 32.46 29.19 1a82 n ARG 183 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1a82 h HIS 184 N 1.94 -0.03 -0.35 -1.55 -0.00 -1.94 -1.33 115.15 111.88 1a82 h HIS 184 Ca 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.86 1a82 h HIS 184 Cb 1.14 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 1a82 h HIS 184 CO 1.30 -0.02 -0.01 0.00 -0.00 0.00 0.00 177.93 179.20 1a82 h ALA 185 N 1.00 0.47 -0.44 5.26 0.00 -1.88 -1.01 119.26 122.67 1a82 h ALA 185 Ca 0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1a82 h ALA 185 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1a82 h ALA 185 CO -0.03 0.25 0.04 0.93 0.00 0.00 0.00 179.25 180.44 1a82 h GLU 186 N 0.43 0.69 -0.36 0.00 3.07 -1.89 -0.76 114.58 115.76 1a82 h GLU 186 Ca 0.10 -0.15 -0.17 0.00 -0.50 0.00 0.00 59.36 58.63 1a82 h GLU 186 Cb 0.47 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1a82 h GLU 186 CO 0.02 0.67 -0.44 1.88 -1.40 0.00 0.00 179.01 179.74 1a82 h TYR 187 N 0.66 1.13 -0.66 4.33 -1.99 -0.95 -1.94 116.97 117.55 1a82 h TYR 187 Ca 0.14 -0.36 -0.05 0.00 2.00 0.00 0.00 58.73 60.46 1a82 h TYR 187 Cb 0.35 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 1a82 h TYR 187 CO 0.02 1.19 0.20 0.52 -0.00 0.00 0.00 178.16 180.09 1a82 h MET 188 N 0.74 1.00 -0.40 4.88 2.86 -0.73 0.71 114.93 124.00 1a82 h MET 188 Ca 0.05 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.38 1a82 h MET 188 Cb 1.04 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1a82 h MET 188 CO 0.11 0.86 -0.17 1.15 1.06 0.00 0.00 176.91 179.92 1a82 h THR 189 N 0.97 1.28 -0.22 2.22 2.02 -1.08 -0.71 112.91 117.40 1a82 h THR 189 Ca 0.21 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 1a82 h THR 189 Cb 0.28 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1a82 h THR 189 CO -0.01 0.43 0.04 0.74 0.37 0.00 0.00 175.52 177.10 1a82 h THR 190 N 0.62 1.22 -0.58 3.16 2.02 -0.95 -1.61 112.91 116.78 1a82 h THR 190 Ca 0.09 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1a82 h THR 190 Cb 0.72 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1a82 h THR 190 CO 0.05 0.22 0.35 -0.07 0.37 0.00 0.00 175.52 176.45 1a82 h LEU 191 N 0.16 0.69 -0.71 2.58 3.38 -0.82 -1.63 115.31 118.96 1a82 h LEU 191 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a82 h LEU 191 Cb 0.29 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1a82 h LEU 191 CO 0.00 0.54 0.46 0.74 0.09 0.00 0.00 178.44 180.28 1a82 h THR 192 N 0.78 1.19 -0.38 0.22 2.02 -0.97 -1.44 112.91 114.33 1a82 h THR 192 Ca 0.21 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 1a82 h THR 192 Cb -0.03 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1a82 h THR 192 CO -0.04 0.18 -0.09 -0.09 0.37 0.00 0.00 175.52 175.85 1a82 h ARG 193 N 0.97 0.73 0.02 6.66 2.43 -1.07 -3.35 114.38 120.75 1a82 h ARG 193 Ca 0.26 -0.28 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 1a82 h ARG 193 Cb -0.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1a82 h ARG 193 CO -0.05 0.87 -0.99 0.52 -1.51 0.00 0.00 179.97 178.81 1a82 h MET 194 N 0.53 0.05 -5.85 0.20 2.86 -1.10 -3.44 114.93 108.18 1a82 h MET 194 Ca 0.10 -0.07 -0.61 0.00 -2.06 0.00 0.00 59.70 57.06 1a82 h MET 194 Cb 0.61 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.19 1a82 h MET 194 CO 0.04 1.00 0.43 0.42 1.06 0.00 0.00 176.91 179.85 1a82 s ILE 195 N -2.80 4.71 -1.16 -1.22 1.01 -0.56 -4.94 121.20 116.24 1a82 s ILE 195 Ca -0.00 1.00 -0.08 0.00 0.00 0.00 0.00 60.65 61.57 1a82 s ILE 195 Cb 0.10 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 1a82 s ILE 195 CO 0.82 -0.42 2.39 -0.81 0.00 0.00 0.00 174.94 176.93 1a82 n PRO 196 N 6.45 2.63 -3.53 2.79 -0.04 -1.26 -4.74 135.00 137.29 1a82 n PRO 196 Ca 0.04 -1.74 -0.12 0.00 -0.04 0.00 0.00 63.50 61.64 1a82 n PRO 196 Cb 0.48 -2.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.30 1a82 n PRO 196 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a82 s ALA 197 N 3.03 -1.84 0.32 0.55 0.00 -1.26 -4.87 121.76 117.68 1a82 s ALA 197 Ca 0.50 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 1a82 s ALA 197 Cb 0.13 -0.15 -0.10 0.00 0.00 0.00 0.00 23.12 23.00 1a82 s ALA 197 CO -0.04 -0.45 1.32 -1.25 0.00 0.00 0.00 175.76 175.34 1a82 s PRO 198 N -1.81 4.35 -0.33 0.00 0.04 -1.26 -4.65 135.00 131.34 1a82 s PRO 198 Ca -0.02 2.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.95 1a82 s PRO 198 Cb -0.01 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1a82 s PRO 198 CO -0.00 -0.21 1.36 -1.17 0.04 0.00 0.00 177.00 177.02 1a82 s LEU 199 N -1.59 3.79 0.35 -3.56 2.96 -1.26 -1.63 118.68 117.74 1a82 s LEU 199 Ca 0.50 1.12 0.19 0.00 -0.22 0.00 0.00 54.13 55.72 1a82 s LEU 199 Cb -0.40 -3.54 0.41 0.00 0.50 0.00 0.00 46.19 43.16 1a82 s LEU 199 CO 0.51 -1.20 1.60 -0.07 -1.32 0.00 0.00 176.35 175.88 1a82 h LEU 200 N 11.33 0.00 0.00 -0.68 3.38 -1.25 -3.48 115.31 124.61 1a82 h LEU 200 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1a82 h LEU 200 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1a82 h LEU 200 CO 1.05 0.36 0.00 0.61 0.09 0.00 0.00 178.44 180.55 1a82 n GLY 201 N 0.79 1.57 3.01 0.83 0.00 -1.26 -0.64 105.19 109.49 1a82 n GLY 201 Ca 0.01 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 1a82 n GLY 201 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a82 s GLU 202 N -2.00 1.93 -0.24 1.61 2.12 -1.21 -1.97 118.70 118.94 1a82 s GLU 202 Ca 0.00 -0.45 -0.17 0.00 0.36 0.00 0.00 54.97 54.71 1a82 s GLU 202 Cb 0.00 -1.69 -0.03 0.00 0.26 0.00 0.00 34.13 32.67 1a82 s GLU 202 CO 0.00 -0.08 0.46 0.42 -0.54 0.00 0.00 175.26 175.51 1a82 s ILE 203 N 1.06 5.13 1.01 -3.70 1.01 -0.20 -4.83 121.20 120.68 1a82 s ILE 203 Ca -0.06 0.78 -0.12 0.00 0.00 0.00 0.00 60.65 61.26 1a82 s ILE 203 Cb -0.15 -3.78 0.20 0.00 0.01 0.00 0.00 42.46 38.74 1a82 s ILE 203 CO -0.02 0.16 1.08 -2.84 0.00 0.00 0.00 174.94 173.32 1a82 s PRO 204 N 1.87 0.31 -0.47 2.79 0.02 -1.26 -1.27 135.00 137.00 1a82 s PRO 204 Ca 0.20 0.96 -0.28 0.00 0.02 0.00 0.00 61.00 61.90 1a82 s PRO 204 Cb -0.15 -1.69 -0.00 0.00 0.02 0.00 0.00 34.50 32.68 1a82 s PRO 204 CO 0.09 -2.93 1.61 -0.46 -0.33 0.00 0.00 177.00 174.98 1a82 s TRP 205 N -2.70 2.06 -0.63 6.54 -0.00 -1.24 -4.58 118.94 118.40 1a82 s TRP 205 Ca 0.66 0.62 -0.00 0.00 -0.00 0.00 0.00 56.10 57.38 1a82 s TRP 205 Cb -0.22 -4.24 0.16 0.00 -0.00 0.00 0.00 33.47 29.17 1a82 s TRP 205 CO 0.60 -2.32 0.43 -0.51 -0.00 0.00 0.00 176.95 175.15 1a82 s LEU 206 N 6.70 4.97 0.19 5.86 1.43 -1.26 -5.00 118.68 131.57 1a82 s LEU 206 Ca 0.65 -3.08 -0.20 0.00 -1.03 0.00 0.00 54.13 50.48 1a82 s LEU 206 Cb -0.15 -1.78 0.13 0.00 0.03 0.00 0.00 46.19 44.42 1a82 s LEU 206 CO 0.29 -0.29 1.60 0.00 0.23 0.00 0.00 176.35 178.17 1a82 h ALA 207 N 6.64 0.01 -2.57 4.21 0.00 -1.96 -3.34 119.26 122.24 1a82 h ALA 207 Ca -0.00 0.17 -0.59 0.00 0.00 0.00 0.00 54.91 54.48 1a82 h ALA 207 Cb 0.90 0.71 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 1a82 h ALA 207 CO 0.72 -0.64 0.13 -2.00 0.00 0.00 0.00 179.25 177.46 1a82 s GLU 208 N -6.04 4.22 -0.51 0.00 -6.30 -1.26 -4.64 118.70 104.17 1a82 s GLU 208 Ca -0.14 0.64 -0.13 0.00 -2.50 0.00 0.00 54.97 52.84 1a82 s GLU 208 Cb 0.16 -3.58 0.02 0.00 0.00 0.00 0.00 34.13 30.73 1a82 s GLU 208 CO 0.70 -0.24 0.29 0.09 0.02 0.00 0.00 175.26 176.12 1a82 n ASN 209 N 5.06 -1.87 0.20 -1.70 4.13 -1.26 -4.82 115.26 114.99 1a82 n ASN 209 Ca -0.01 -0.56 0.14 0.00 1.68 0.00 0.00 54.58 55.83 1a82 n ASN 209 Cb 0.50 -0.70 0.70 0.00 -1.54 0.00 0.00 39.78 38.73 1a82 n ASN 209 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1a82 h PRO 210 N 0.53 0.00 0.00 3.52 0.13 -1.83 -0.62 132.00 133.73 1a82 h PRO 210 Ca -0.31 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 1a82 h PRO 210 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1a82 h PRO 210 CO 0.22 0.00 -0.32 0.93 -0.23 0.00 0.00 178.00 178.60 1a82 h GLU 211 N 0.00 0.00 -0.35 0.86 3.07 -1.92 -2.99 114.58 113.25 1a82 h GLU 211 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1a82 h GLU 211 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1a82 h GLU 211 CO 0.00 0.32 0.00 0.09 -1.40 0.00 0.00 179.01 178.02 1a82 n ASN 212 N -3.55 2.93 -4.84 1.42 5.03 -0.26 -4.95 115.26 111.04 1a82 n ASN 212 Ca -0.00 -1.98 -0.32 0.00 0.87 0.00 0.00 54.58 53.14 1a82 n ASN 212 Cb 0.46 -0.23 -0.05 0.00 -1.02 0.00 0.00 39.78 38.94 1a82 n ASN 212 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a82 s ALA 213 N -1.00 3.12 -0.89 5.41 0.00 -1.09 -4.97 121.76 122.35 1a82 s ALA 213 Ca 0.24 0.19 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 1a82 s ALA 213 Cb 0.13 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.24 1a82 s ALA 213 CO 0.16 -0.01 1.44 0.00 0.00 0.00 0.00 175.76 177.35 1a82 s ALA 214 N -2.36 2.63 -0.88 0.00 0.00 -1.26 -4.76 121.76 115.13 1a82 s ALA 214 Ca 0.58 -1.79 0.11 0.00 0.00 0.00 0.00 51.96 50.86 1a82 s ALA 214 Cb -0.10 -4.42 -0.03 0.00 0.00 0.00 0.00 23.12 18.58 1a82 s ALA 214 CO 0.23 -3.59 0.61 0.25 0.00 0.00 0.00 175.76 173.27 1a82 n THR 215 N 6.78 0.00 -0.17 0.00 -2.24 -1.26 -4.62 114.28 112.76 1a82 n THR 215 Ca 0.21 -0.35 0.22 0.00 -2.27 0.00 0.00 64.05 61.86 1a82 n THR 215 Cb 0.50 1.10 0.61 0.00 -2.10 0.00 0.00 70.33 70.44 1a82 n THR 215 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1a82 h GLY 216 N 2.39 0.43 2.00 3.38 0.00 -1.86 -1.27 103.07 108.14 1a82 h GLY 216 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1a82 h GLY 216 CO 0.00 0.00 -0.00 0.07 0.00 0.00 0.00 176.54 176.61 1a82 h LYS 217 N 0.21 0.00 -0.00 4.80 2.10 -1.88 -2.18 116.57 119.61 1a82 h LYS 217 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1a82 h LYS 217 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1a82 h LYS 217 CO -0.09 0.00 -0.14 0.66 -2.00 0.00 0.00 179.45 177.88 1a82 n TYR 218 N -3.14 0.00 -4.52 0.07 4.01 -0.48 -4.81 117.16 108.29 1a82 n TYR 218 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.38 1a82 n TYR 218 Cb 0.08 -0.23 -0.13 0.00 -0.31 0.00 0.00 39.34 38.75 1a82 n TYR 218 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1a82 s ILE 219 N -2.60 3.67 -0.67 -0.72 -1.09 -0.82 -3.31 121.20 115.66 1a82 s ILE 219 Ca 0.25 -0.44 -0.11 0.00 -2.23 0.00 0.00 60.65 58.11 1a82 s ILE 219 Cb 0.20 -2.58 0.17 0.00 -1.58 0.00 0.00 42.46 38.67 1a82 s ILE 219 CO 0.51 0.51 0.58 0.21 -1.23 0.00 0.00 174.94 175.52 1a82 s ASN 220 N 0.23 6.17 0.64 3.58 2.47 0.18 -4.93 114.94 123.28 1a82 s ASN 220 Ca -0.04 -2.42 0.41 0.00 0.42 0.00 0.00 52.86 51.23 1a82 s ASN 220 Cb -0.14 -2.10 2.18 0.00 -1.45 0.00 0.00 41.25 39.74 1a82 s ASN 220 CO 0.03 -0.61 2.29 0.25 -3.72 0.00 0.00 177.10 175.35 1a82 h LEU 221 N 7.96 0.00 -0.50 3.21 5.85 -1.94 -2.08 115.31 127.81 1a82 h LEU 221 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1a82 h LEU 221 Cb 1.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1a82 h LEU 221 CO 0.82 0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 1a82 n ALA 222 N -2.11 1.71 1.00 1.25 0.00 -1.26 -1.71 120.51 119.39 1a82 n ALA 222 Ca -0.02 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1a82 n ALA 222 Cb 0.12 -1.36 0.26 0.00 0.00 0.00 0.00 19.45 18.47 1a82 n ALA 222 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1a82 n LEU 223 N -2.07 0.48 -0.29 0.00 4.77 -0.78 -5.24 117.00 113.87 1a82 n LEU 223 Ca 0.03 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.17 1a82 n LEU 223 Cb 0.23 -0.26 0.69 0.00 -2.33 0.00 0.00 43.42 41.76 1a82 n LEU 223 CO 0.19 0.12 0.96 -0.11 -1.33 0.00 0.00 177.39 177.23