#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wei n GLN 2 N 0.00 1.85 -0.18 2.12 6.02 -1.26 -4.77 117.38 121.16 1wei n GLN 2 Ca 0.00 0.66 -0.01 0.00 -0.01 0.00 0.00 57.00 57.64 1wei n GLN 2 Cb 0.00 -2.26 0.09 0.00 1.02 0.00 0.00 30.24 29.09 1wei n GLN 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wei h ALA 3 N 3.71 0.65 -0.53 -1.58 0.00 -1.97 -0.22 119.26 119.31 1wei h ALA 3 Ca -0.44 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1wei h ALA 3 Cb 1.29 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1wei h ALA 3 CO 0.72 -0.29 0.35 0.66 0.00 0.00 0.00 179.25 180.69 1wei h SER 4 N 0.27 0.61 0.29 0.00 4.64 -1.89 -1.67 113.55 115.79 1wei h SER 4 Ca 0.29 -0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.37 1wei h SER 4 Cb 0.40 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1wei h SER 4 CO -0.36 0.44 -0.91 -0.61 -0.87 0.00 0.00 176.83 174.53 1wei h GLN 5 N 0.72 0.44 0.57 4.77 5.75 -1.63 -2.57 115.11 123.16 1wei h GLN 5 Ca 0.20 -0.45 -0.02 0.00 -0.15 0.00 0.00 58.65 58.23 1wei h GLN 5 Cb -0.08 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1wei h GLN 5 CO -0.04 1.10 -0.35 0.35 -2.65 0.00 0.00 178.83 177.24 1wei h PHE 6 N 0.26 -0.92 -0.83 3.99 3.04 -0.27 -0.16 116.94 122.04 1wei h PHE 6 Ca -0.07 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.83 1wei h PHE 6 Cb 1.53 0.33 -0.04 0.00 2.56 0.00 0.00 35.95 40.33 1wei h PHE 6 CO 0.06 -0.53 0.39 0.66 -2.02 0.00 0.00 178.31 176.87 1wei h SER 7 N -0.87 1.10 -0.54 0.41 4.64 -1.42 -1.86 113.55 115.02 1wei h SER 7 Ca -0.07 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1wei h SER 7 Cb 0.71 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1wei h SER 7 CO 0.07 0.94 0.24 0.00 -0.87 0.00 0.00 176.83 177.21 1wei h ALA 8 N 1.23 0.70 -0.42 5.18 0.00 -1.30 -1.09 119.26 123.56 1wei h ALA 8 Ca 0.28 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1wei h ALA 8 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wei h ALA 8 CO -0.03 0.28 -0.27 1.96 0.00 0.00 0.00 179.25 181.19 1wei h GLN 9 N 0.73 0.88 -0.54 0.00 4.20 -0.83 -1.68 115.11 117.87 1wei h GLN 9 Ca 0.18 -0.39 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 1wei h GLN 9 Cb 0.15 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1wei h GLN 9 CO -0.02 1.04 -0.07 0.28 -0.67 0.00 0.00 178.83 179.40 1wei h VAL 10 N 0.76 1.27 -0.48 -0.54 2.07 -1.19 -1.92 116.25 116.21 1wei h VAL 10 Ca 0.09 -1.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 1wei h VAL 10 Cb 0.82 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1wei h VAL 10 CO 0.07 0.43 -0.07 -0.07 0.02 0.00 0.00 177.57 177.94 1wei h LEU 11 N 0.87 0.90 -1.03 2.57 3.38 -1.10 -0.75 115.31 120.14 1wei h LEU 11 Ca 0.14 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1wei h LEU 11 Cb 0.62 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1wei h LEU 11 CO 0.04 1.03 0.21 0.44 0.09 0.00 0.00 178.44 180.26 1wei h ASP 12 N 0.76 0.84 -0.20 -0.43 3.32 -1.22 -1.54 116.42 117.94 1wei h ASP 12 Ca 0.13 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1wei h ASP 12 Cb 0.61 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1wei h ASP 12 CO 0.04 0.78 0.02 -0.25 -1.72 0.00 0.00 179.24 178.10 1wei h TRP 13 N 0.89 0.37 -0.79 4.55 7.01 -1.14 -3.07 115.95 123.77 1wei h TRP 13 Ca 0.20 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.17 1wei h TRP 13 Cb 0.22 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 1wei h TRP 13 CO 0.02 0.51 0.52 -0.92 -2.79 0.00 0.00 178.44 175.77 1wei h TYR 14 N 0.12 0.96 0.00 2.65 3.20 -0.74 -0.85 116.97 122.32 1wei h TYR 14 Ca 0.06 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1wei h TYR 14 Cb 0.35 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1wei h TYR 14 CO 0.03 0.59 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.67 1wei h ASP 15 N 1.02 0.00 0.00 -2.11 3.45 -1.19 1.59 116.42 119.18 1wei h ASP 15 Ca 0.30 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.61 1wei h ASP 15 Cb -0.05 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 1wei h ASP 15 CO -0.08 0.02 -1.77 1.17 -1.57 0.00 0.00 179.24 177.02 1wei n LYS 16 N -3.24 1.39 0.00 3.56 4.81 -0.73 -4.69 118.16 119.26 1wei n LYS 16 Ca -0.02 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1wei n LYS 16 Cb 0.16 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1wei n LYS 16 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1wei n TYR 17 N -2.28 0.00 -1.93 5.64 4.01 -0.40 -4.96 117.16 117.23 1wei n TYR 17 Ca -0.14 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.36 1wei n TYR 17 Cb 0.71 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.66 1wei n TYR 17 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1wei s GLY 18 N -0.23 -0.21 -0.79 2.72 0.00 0.54 -4.88 107.32 104.48 1wei s GLY 18 Ca 0.00 -1.91 -0.25 0.00 0.00 0.00 0.00 44.72 42.55 1wei s GLY 18 CO 0.00 3.77 1.75 0.50 0.00 0.00 0.00 173.10 179.11 1wei s ARG 19 N 7.09 2.82 -0.83 2.90 0.52 -1.26 -4.86 118.95 125.33 1wei s ARG 19 Ca 0.72 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.88 1wei s ARG 19 Cb -0.02 -4.72 0.31 0.00 0.52 0.00 0.00 34.95 31.03 1wei s ARG 19 CO 0.14 -2.79 1.27 0.00 0.02 0.00 0.00 175.30 173.94 1wei n ALA 20 N 12.12 5.05 0.07 2.13 0.00 -1.26 -4.70 120.51 133.92 1wei n ALA 20 Ca 0.26 -4.72 0.02 0.00 0.00 0.00 0.00 53.44 49.01 1wei n ALA 20 Cb 0.50 -1.53 0.04 0.00 0.00 0.00 0.00 19.45 18.46 1wei n ALA 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wei n THR 21 N 0.39 0.47 -1.83 0.00 -2.24 -1.26 -4.77 114.28 105.05 1wei n THR 21 Ca 0.34 -0.74 -0.34 0.00 -2.27 0.00 0.00 64.05 61.04 1wei n THR 21 Cb 0.35 0.82 0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1wei n THR 21 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wei s LEU 22 N -0.69 3.49 0.27 3.22 1.43 -1.26 -4.89 118.68 120.24 1wei s LEU 22 Ca 0.08 2.17 -0.02 0.00 -1.03 0.00 0.00 54.13 55.33 1wei s LEU 22 Cb 0.05 -4.57 0.58 0.00 0.03 0.00 0.00 46.19 42.28 1wei s LEU 22 CO 0.06 -1.68 1.65 -0.65 0.23 0.00 0.00 176.35 175.97 1wei h PRO 23 N 0.33 0.20 0.00 1.29 0.11 -1.96 0.60 132.00 132.57 1wei h PRO 23 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wei h PRO 23 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wei h PRO 23 CO 0.54 0.13 0.00 -2.67 -0.21 0.00 0.00 178.00 175.79 1wei n TRP 24 N -5.23 0.00 0.63 0.65 2.14 -1.26 -2.78 117.44 111.59 1wei n TRP 24 Ca 0.18 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.82 1wei n TRP 24 Cb 0.58 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.08 1wei n TRP 24 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1wei n GLN 25 N -0.80 1.72 -4.45 -2.67 6.02 0.20 -4.69 117.38 112.70 1wei n GLN 25 Ca 0.13 -0.81 -0.34 0.00 -0.01 0.00 0.00 57.00 55.97 1wei n GLN 25 Cb 0.06 -1.22 -0.12 0.00 1.02 0.00 0.00 30.24 29.98 1wei n GLN 25 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1wei s ILE 26 N -1.68 3.87 -1.34 5.09 -1.09 -1.12 -4.55 121.20 120.38 1wei s ILE 26 Ca 0.12 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1wei s ILE 26 Cb 0.12 -2.67 -0.00 0.00 -1.58 0.00 0.00 42.46 38.33 1wei s ILE 26 CO 0.34 0.52 0.58 0.47 -1.23 0.00 0.00 174.94 175.62 1wei n ASP 27 N 3.17 -0.91 -4.77 3.58 10.43 -1.26 -4.86 116.55 121.93 1wei n ASP 27 Ca -0.18 -0.91 -0.40 0.00 2.57 0.00 0.00 54.79 55.88 1wei n ASP 27 Cb 0.53 -3.61 0.01 0.00 1.84 0.00 0.00 41.12 39.89 1wei n ASP 27 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1wei s LYS 28 N -6.22 3.84 0.05 -1.24 1.02 -1.26 -5.03 119.74 110.90 1wei s LYS 28 Ca 0.02 2.43 -0.04 0.00 0.02 0.00 0.00 55.97 58.40 1wei s LYS 28 Cb -0.01 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1wei s LYS 28 CO 0.85 -0.70 0.06 0.95 -0.92 0.00 0.00 175.35 175.59 1wei s THR 29 N -1.18 0.16 0.30 2.17 -4.23 -1.26 -4.96 115.64 106.64 1wei s THR 29 Ca 0.58 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 1wei s THR 29 Cb -0.44 -1.13 0.29 0.00 1.34 0.00 0.00 72.50 72.57 1wei s THR 29 CO 0.57 -0.73 1.86 -0.65 -0.54 0.00 0.00 174.62 175.13 1wei h PRO 30 N 3.41 0.91 0.28 3.99 0.11 -1.87 -1.49 132.00 137.33 1wei h PRO 30 Ca -0.33 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1wei h PRO 30 Cb 1.17 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1wei h PRO 30 CO 0.56 0.60 -0.14 -0.92 -0.21 0.00 0.00 178.00 177.89 1wei h TYR 31 N 0.94 -0.37 -0.84 0.65 3.20 -1.96 -0.26 116.97 118.33 1wei h TYR 31 Ca 0.46 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.29 1wei h TYR 31 Cb 0.48 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1wei h TYR 31 CO -0.00 -0.23 0.39 0.87 -1.64 0.00 0.00 178.16 177.55 1wei h LYS 32 N -0.39 1.22 -0.38 1.82 1.57 -1.85 -1.03 116.57 117.54 1wei h LYS 32 Ca -0.04 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 1wei h LYS 32 Cb 0.30 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1wei h LYS 32 CO 0.05 0.95 -0.08 0.28 -0.57 0.00 0.00 179.45 180.09 1wei h VAL 33 N 1.21 1.27 -0.06 0.50 2.07 -1.17 -1.76 116.25 118.31 1wei h VAL 33 Ca 0.29 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1wei h VAL 33 Cb 0.14 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1wei h VAL 33 CO -0.03 0.38 -0.02 -0.25 0.02 0.00 0.00 177.57 177.67 1wei h TRP 34 N 0.53 -0.05 -0.33 1.57 7.01 -0.82 0.42 115.95 124.29 1wei h TRP 34 Ca 0.10 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.14 1wei h TRP 34 Cb 0.59 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.65 1wei h TRP 34 CO 0.05 -0.04 0.11 1.25 -2.79 0.00 0.00 178.44 177.02 1wei h LEU 35 N -0.01 0.12 -0.74 0.65 5.85 -1.13 -1.52 115.31 118.53 1wei h LEU 35 Ca 0.03 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1wei h LEU 35 Cb 0.06 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1wei h LEU 35 CO -0.07 0.10 0.02 0.77 -0.34 0.00 0.00 178.44 178.93 1wei h SER 36 N 0.25 0.95 -0.68 1.25 4.64 -1.04 -2.01 113.55 116.92 1wei h SER 36 Ca 0.15 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1wei h SER 36 Cb 0.12 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 1wei h SER 36 CO -0.16 1.00 0.24 -0.33 -0.87 0.00 0.00 176.83 176.71 1wei h GLU 37 N 0.91 1.03 -0.45 4.77 4.39 -0.57 0.73 114.58 125.39 1wei h GLU 37 Ca 0.17 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1wei h GLU 37 Cb 0.50 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1wei h GLU 37 CO 0.02 0.88 0.09 0.28 -1.16 0.00 0.00 179.01 179.12 1wei h VAL 38 N 0.97 1.24 -0.44 3.13 2.07 -1.10 -1.40 116.25 120.72 1wei h VAL 38 Ca 0.22 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 1wei h VAL 38 Cb 0.25 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1wei h VAL 38 CO -0.01 0.30 -0.06 0.24 0.02 0.00 0.00 177.57 178.06 1wei h MET 39 N 0.61 0.76 0.00 1.57 2.86 -1.10 -2.94 114.93 116.70 1wei h MET 39 Ca 0.14 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1wei h MET 39 Cb 0.35 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1wei h MET 39 CO 0.01 0.81 0.00 1.28 1.06 0.00 0.00 176.91 180.06 1wei n LEU 40 N -4.19 0.26 -0.30 1.22 4.77 0.23 -3.49 117.00 115.49 1wei n LEU 40 Ca 0.02 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.60 1wei n LEU 40 Cb 0.33 -0.45 0.23 0.00 -2.33 0.00 0.00 43.42 41.20 1wei n LEU 40 CO 0.42 -0.09 1.11 1.56 -1.33 0.00 0.00 177.39 179.06 1wei h GLN 41 N 0.00 0.63 0.00 3.23 4.20 -1.06 -3.25 115.11 118.86 1wei h GLN 41 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wei h GLN 41 Cb 0.55 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1wei h GLN 41 CO 0.00 0.42 -0.37 1.04 -0.67 0.00 0.00 178.83 179.25 1wei n GLN 42 N -4.85 0.28 -4.26 1.46 6.02 -1.26 -5.07 117.38 109.70 1wei n GLN 42 Ca 0.18 -1.26 -0.17 0.00 -0.01 0.00 0.00 57.00 55.74 1wei n GLN 42 Cb 0.44 -0.69 -0.14 0.00 1.02 0.00 0.00 30.24 30.88 1wei n GLN 42 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1wei s THR 43 N -0.53 0.67 0.51 5.09 2.01 -1.23 -5.03 115.64 117.13 1wei s THR 43 Ca 0.06 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.28 1wei s THR 43 Cb 0.05 -0.60 -0.06 0.00 0.01 0.00 0.00 72.50 71.90 1wei s THR 43 CO 0.01 0.05 1.21 -1.10 -0.69 0.00 0.00 174.62 174.09 1wei s GLN 44 N -0.57 3.44 0.21 4.92 -0.21 -1.26 -4.52 119.66 121.66 1wei s GLN 44 Ca 0.00 1.86 -0.10 0.00 0.02 0.00 0.00 55.36 57.14 1wei s GLN 44 Cb -0.05 -2.24 0.27 0.00 1.00 0.00 0.00 33.01 31.99 1wei s GLN 44 CO 0.00 -0.84 1.71 0.28 -2.12 0.00 0.00 175.29 174.33 1wei h VAL 45 N 1.53 0.68 -0.91 1.09 2.07 -1.96 -1.91 116.25 116.84 1wei h VAL 45 Ca -0.50 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.00 1wei h VAL 45 Cb 1.27 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1wei h VAL 45 CO 0.58 0.05 0.56 0.00 0.02 0.00 0.00 177.57 178.79 1wei h ALA 46 N 1.45 1.27 -0.26 1.67 0.00 -2.02 -2.03 119.26 119.34 1wei h ALA 46 Ca 0.30 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1wei h ALA 46 Cb 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wei h ALA 46 CO -0.37 0.30 -0.50 1.15 0.00 0.00 0.00 179.25 179.82 1wei h THR 47 N 1.01 1.30 -0.37 0.00 2.02 -1.80 -3.31 112.91 111.76 1wei h THR 47 Ca 0.40 -1.71 -0.12 0.00 0.77 0.00 0.00 66.41 65.76 1wei h THR 47 Cb 0.22 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1wei h THR 47 CO -0.19 0.55 -0.25 0.58 0.37 0.00 0.00 175.52 176.58 1wei h VAL 48 N 0.56 1.27 -0.68 3.16 2.07 -0.72 -3.36 116.25 118.55 1wei h VAL 48 Ca 0.02 -1.36 0.11 0.00 0.82 0.00 0.00 66.70 66.29 1wei h VAL 48 Cb 1.07 1.25 -0.12 0.00 -1.52 0.00 0.00 31.29 31.97 1wei h VAL 48 CO 0.10 0.45 -0.38 0.40 0.02 0.00 0.00 177.57 178.16 1wei h ILE 49 N 0.64 0.11 -0.64 4.57 2.04 -1.47 0.37 117.51 123.12 1wei h ILE 49 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1wei h ILE 49 Cb 0.75 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1wei h ILE 49 CO 0.06 0.00 0.36 -0.65 0.00 0.00 0.00 178.15 177.92 1wei h PRO 50 N -0.14 0.87 -0.40 2.37 0.11 -1.80 -1.73 132.00 131.28 1wei h PRO 50 Ca 0.24 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 1wei h PRO 50 Cb 0.56 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1wei h PRO 50 CO -0.76 0.63 -0.19 1.88 -0.21 0.00 0.00 178.00 179.35 1wei h TYR 51 N 0.88 0.96 -0.55 0.65 -1.99 -1.39 -0.91 116.97 114.63 1wei h TYR 51 Ca 0.23 -0.24 0.01 0.00 2.00 0.00 0.00 58.73 60.73 1wei h TYR 51 Cb -0.00 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.48 1wei h TYR 51 CO 0.00 1.00 0.36 0.35 -0.00 0.00 0.00 178.16 179.88 1wei h PHE 52 N 0.65 0.69 -0.63 4.88 3.57 -0.61 0.14 116.94 125.61 1wei h PHE 52 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1wei h PHE 52 Cb 0.75 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1wei h PHE 52 CO 0.06 0.43 0.11 0.93 -2.23 0.00 0.00 178.31 177.61 1wei h GLU 53 N 0.74 1.03 -0.61 1.11 4.39 -1.22 -1.24 114.58 118.78 1wei h GLU 53 Ca 0.20 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1wei h GLU 53 Cb -0.08 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1wei h GLU 53 CO -0.05 0.96 0.14 0.00 -1.16 0.00 0.00 179.01 178.90 1wei h ARG 54 N 0.95 0.98 -0.48 2.33 3.08 -0.70 -1.89 114.38 118.64 1wei h ARG 54 Ca 0.19 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1wei h ARG 54 Cb 0.41 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1wei h ARG 54 CO 0.01 0.90 -0.03 0.74 -1.07 0.00 0.00 179.97 180.51 1wei h PHE 55 N 0.89 0.97 -0.02 3.04 -1.00 -0.54 -1.62 116.94 118.65 1wei h PHE 55 Ca 0.19 -0.18 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 1wei h PHE 55 Cb 0.36 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1wei h PHE 55 CO 0.03 0.92 -0.36 0.52 -1.61 0.00 0.00 178.31 177.80 1wei h MET 56 N 0.73 0.04 -0.13 1.51 2.86 -1.13 0.47 114.93 119.29 1wei h MET 56 Ca 0.13 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 1wei h MET 56 Cb 0.56 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.22 1wei h MET 56 CO 0.03 0.40 -0.48 0.00 1.06 0.00 0.00 176.91 177.92 1wei h ALA 57 N 1.60 0.23 -0.01 6.32 0.00 -1.12 -2.93 119.26 123.35 1wei h ALA 57 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 1wei h ALA 57 Cb 0.66 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1wei h ALA 57 CO 0.05 0.40 -0.97 -0.09 0.00 0.00 0.00 179.25 178.64 1wei h ARG 58 N 0.17 0.52 -2.94 0.00 9.65 -1.14 -3.39 114.38 117.25 1wei h ARG 58 Ca -0.02 -0.55 -0.61 0.00 -1.10 0.00 0.00 59.98 57.69 1wei h ARG 58 Cb 1.11 0.15 -0.41 0.00 -1.39 0.00 0.00 29.97 29.43 1wei h ARG 58 CO 0.10 1.18 -0.63 1.19 2.80 0.00 0.00 179.97 184.61 1wei n PHE 59 N -3.79 2.70 0.22 2.20 3.72 0.16 -4.93 117.46 117.75 1wei n PHE 59 Ca -0.08 -4.17 0.13 0.00 -0.05 0.00 0.00 57.45 53.28 1wei n PHE 59 Cb 0.85 -0.50 0.74 0.00 -0.94 0.00 0.00 39.48 39.62 1wei n PHE 59 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1wei h PRO 60 N 5.34 0.00 -4.89 -1.08 0.11 -1.72 -3.40 132.00 126.37 1wei h PRO 60 Ca 0.17 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.97 1wei h PRO 60 Cb 0.77 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.73 1wei h PRO 60 CO 0.68 0.00 -0.67 0.95 -0.21 0.00 0.00 178.00 178.74 1wei s THR 61 N -4.90 0.83 0.46 -1.15 -4.23 -1.26 -5.04 115.64 100.35 1wei s THR 61 Ca -0.05 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.60 1wei s THR 61 Cb 0.17 -2.07 0.20 0.00 1.34 0.00 0.00 72.50 72.14 1wei s THR 61 CO 0.63 -0.53 2.03 1.62 -0.54 0.00 0.00 174.62 177.83 1wei h VAL 62 N 2.69 1.10 -0.24 2.29 3.04 -1.86 -2.10 116.25 121.18 1wei h VAL 62 Ca -0.37 -0.48 -0.11 0.00 -1.01 0.00 0.00 66.70 64.73 1wei h VAL 62 Cb 1.20 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 1wei h VAL 62 CO 0.63 0.14 -0.31 0.74 -1.01 0.00 0.00 177.57 177.76 1wei h THR 63 N 0.02 1.28 -0.38 3.17 2.02 -1.88 -0.02 112.91 117.11 1wei h THR 63 Ca 0.00 -1.38 -0.08 0.00 0.77 0.00 0.00 66.41 65.72 1wei h THR 63 Cb 0.24 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1wei h THR 63 CO 0.02 0.43 -0.11 0.44 0.37 0.00 0.00 175.52 176.67 1wei h ASP 64 N 0.42 0.66 -0.26 4.18 3.32 -1.75 -0.88 116.42 122.11 1wei h ASP 64 Ca 0.05 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.77 1wei h ASP 64 Cb 0.75 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1wei h ASP 64 CO 0.06 0.80 -0.40 0.25 -1.72 0.00 0.00 179.24 178.23 1wei h LEU 65 N 0.62 0.80 -0.66 1.55 5.85 -1.26 -2.74 115.31 119.47 1wei h LEU 65 Ca 0.11 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1wei h LEU 65 Cb 0.55 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1wei h LEU 65 CO 0.03 1.16 0.41 0.00 -0.34 0.00 0.00 178.44 179.70 1wei h ALA 66 N 0.66 0.84 0.00 1.25 0.00 -0.70 -2.81 119.26 118.50 1wei h ALA 66 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wei h ALA 66 Cb 0.99 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wei h ALA 66 CO 0.09 0.30 0.00 -0.91 0.00 0.00 0.00 179.25 178.73 1wei h ASN 67 N 0.89 0.00 -4.11 0.00 2.35 -1.17 -3.45 115.58 110.09 1wei h ASN 67 Ca 0.24 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.50 1wei h ASN 67 Cb -0.05 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.37 1wei h ASN 67 CO -0.05 0.00 0.39 0.00 -1.65 0.00 0.00 177.43 176.12 1wei s ALA 68 N -3.21 2.79 0.46 -0.83 0.00 -1.03 -4.99 121.76 114.95 1wei s ALA 68 Ca 0.08 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 1wei s ALA 68 Cb 0.10 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 1wei s ALA 68 CO 0.55 -0.56 1.29 -2.14 0.00 0.00 0.00 175.76 174.90 1wei s PRO 69 N -3.50 3.65 0.24 0.00 0.02 -1.26 -4.91 135.00 129.24 1wei s PRO 69 Ca 0.67 2.09 -0.06 0.00 0.02 0.00 0.00 61.00 63.72 1wei s PRO 69 Cb -0.18 -2.50 0.24 0.00 0.02 0.00 0.00 34.50 32.08 1wei s PRO 69 CO 0.26 -0.74 1.90 1.25 -0.33 0.00 0.00 177.00 179.35 1wei h LEU 70 N 2.12 1.15 -1.36 -5.54 5.85 -1.94 -2.14 115.31 113.44 1wei h LEU 70 Ca -0.50 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.28 1wei h LEU 70 Cb 1.26 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1wei h LEU 70 CO 0.60 0.86 0.53 0.44 -0.34 0.00 0.00 178.44 180.53 1wei h ASP 71 N 1.33 0.62 -0.37 1.25 5.19 -1.99 0.20 116.42 122.64 1wei h ASP 71 Ca 0.35 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.63 1wei h ASP 71 Cb -0.10 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 1wei h ASP 71 CO -0.07 0.35 -0.38 -0.08 -3.12 0.00 0.00 179.24 175.94 1wei h GLU 72 N 0.67 0.91 -0.41 3.56 4.81 -1.76 -1.28 114.58 121.08 1wei h GLU 72 Ca 0.39 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1wei h GLU 72 Cb 0.58 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1wei h GLU 72 CO -0.16 1.14 0.20 0.28 -0.73 0.00 0.00 179.01 179.74 1wei h VAL 73 N 0.73 1.17 -0.51 0.32 2.07 -0.90 -1.44 116.25 117.69 1wei h VAL 73 Ca 0.06 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1wei h VAL 73 Cb 0.97 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1wei h VAL 73 CO 0.09 0.18 0.04 -0.07 0.02 0.00 0.00 177.57 177.83 1wei h LEU 74 N 0.53 0.79 -0.49 2.57 3.38 -0.97 -1.46 115.31 119.66 1wei h LEU 74 Ca 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1wei h LEU 74 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1wei h LEU 74 CO -0.02 0.84 0.17 -0.74 0.09 0.00 0.00 178.44 178.78 1wei h HIS 75 N 0.78 0.78 0.00 1.13 2.76 -0.89 -2.11 115.15 117.60 1wei h HIS 75 Ca 0.16 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1wei h HIS 75 Cb 0.42 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1wei h HIS 75 CO 0.02 0.67 -0.21 -0.07 -1.30 0.00 0.00 177.93 177.05 1wei h LEU 76 N 0.66 0.00 -0.12 0.26 -0.00 -1.02 -2.68 115.31 112.41 1wei h LEU 76 Ca 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1wei h LEU 76 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1wei h LEU 76 CO -0.01 0.21 -0.06 -0.25 -0.00 0.00 0.00 178.44 178.32 1wei h TRP 77 N 0.00 0.00 -1.16 1.13 2.91 -0.80 -3.47 115.95 114.56 1wei h TRP 77 Ca -0.00 0.00 -0.81 0.00 1.13 0.00 0.00 58.89 59.20 1wei h TRP 77 Cb 0.69 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.34 1wei h TRP 77 CO 0.00 0.06 0.83 2.41 -1.03 0.00 0.00 178.44 180.71 1wei n THR 78 N -3.12 0.13 0.00 2.65 -1.04 -0.84 -1.16 114.28 110.91 1wei n THR 78 Ca 0.03 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1wei n THR 78 Cb 0.54 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 1wei n THR 78 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wei n GLY 79 N 4.35 2.10 0.10 3.41 0.00 -1.26 -4.94 105.19 108.95 1wei n GLY 79 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.45 1wei n GLY 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wei h LEU 80 N 0.00 0.00 -0.22 0.99 3.38 -1.51 -3.51 115.31 114.44 1wei h LEU 80 Ca 0.00 -0.11 0.22 0.00 0.09 0.00 0.00 57.88 58.08 1wei h LEU 80 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1wei h LEU 80 CO 0.00 0.06 -0.45 0.61 0.09 0.00 0.00 178.44 178.75 1wei n GLY 81 N 1.26 -2.11 3.72 0.83 0.00 -1.26 -4.81 105.19 102.82 1wei n GLY 81 Ca 0.02 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1wei n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wei n TYR 82 N -3.32 -1.93 0.21 1.61 4.01 -1.26 -4.85 117.16 111.62 1wei n TYR 82 Ca -0.01 0.51 0.12 0.00 -0.16 0.00 0.00 57.90 58.36 1wei n TYR 82 Cb 0.39 -3.25 0.64 0.00 -0.31 0.00 0.00 39.34 36.81 1wei n TYR 82 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1wei h TYR 83 N -1.53 0.00 -0.41 -0.72 -1.99 -1.98 -2.41 116.97 107.93 1wei h TYR 83 Ca -0.61 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.19 1wei h TYR 83 Cb 1.34 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.05 1wei h TYR 83 CO 0.31 0.00 0.28 0.00 -0.00 0.00 0.00 178.16 178.75 1wei h ALA 84 N 2.03 2.02 -0.77 3.88 0.00 -2.00 0.54 119.26 124.96 1wei h ALA 84 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wei h ALA 84 Cb 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1wei h ALA 84 CO 0.00 -0.10 0.36 0.00 0.00 0.00 0.00 179.25 179.52 1wei h ARG 85 N 0.28 1.11 -0.31 0.00 3.08 -1.78 -0.82 114.38 115.94 1wei h ARG 85 Ca 0.18 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1wei h ARG 85 Cb 0.35 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1wei h ARG 85 CO -0.04 0.86 -0.25 0.00 -1.07 0.00 0.00 179.97 179.47 1wei h ALA 86 N 1.29 0.45 -0.52 0.04 0.00 -1.11 0.12 119.26 119.53 1wei h ALA 86 Ca 0.27 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1wei h ALA 86 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wei h ALA 86 CO -0.03 0.44 0.17 0.00 0.00 0.00 0.00 179.25 179.83 1wei h ARG 87 N 0.48 0.81 -0.15 0.00 3.08 -1.12 -1.21 114.38 116.27 1wei h ARG 87 Ca 0.06 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 1wei h ARG 87 Cb 0.81 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1wei h ARG 87 CO 0.07 0.74 -0.42 -0.91 -1.07 0.00 0.00 179.97 178.38 1wei h ASN 88 N 0.71 0.37 -0.23 7.04 -0.26 -1.09 -2.26 115.58 119.86 1wei h ASN 88 Ca 0.17 -0.16 0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1wei h ASN 88 Cb 0.27 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 1wei h ASN 88 CO -0.01 0.75 0.12 0.25 -1.06 0.00 0.00 177.43 177.49 1wei h LEU 89 N 0.29 0.19 -0.65 1.61 5.85 -0.24 0.45 115.31 122.82 1wei h LEU 89 Ca 0.02 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1wei h LEU 89 Cb 0.86 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1wei h LEU 89 CO 0.07 0.15 0.13 -0.74 -0.34 0.00 0.00 178.44 177.71 1wei h HIS 90 N 0.26 1.11 -0.67 1.25 2.76 -1.10 -1.11 115.15 117.65 1wei h HIS 90 Ca 0.09 -0.14 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 1wei h HIS 90 Cb 0.01 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.63 1wei h HIS 90 CO -0.09 0.93 0.21 0.87 -1.30 0.00 0.00 177.93 178.56 1wei h LYS 91 N 0.97 1.03 -0.69 5.26 1.57 -1.10 -1.35 116.57 122.26 1wei h LYS 91 Ca 0.20 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1wei h LYS 91 Cb 0.40 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1wei h LYS 91 CO 0.01 0.90 0.20 0.00 -0.57 0.00 0.00 179.45 179.98 1wei h ALA 92 N 1.09 0.91 -0.71 3.86 0.00 -0.66 0.56 119.26 124.30 1wei h ALA 92 Ca 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wei h ALA 92 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1wei h ALA 92 CO -0.01 0.60 0.36 0.00 0.00 0.00 0.00 179.25 180.21 1wei h ALA 93 N 1.09 0.91 -0.22 0.00 0.00 -0.92 -0.60 119.26 119.53 1wei h ALA 93 Ca 0.22 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1wei h ALA 93 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wei h ALA 93 CO -0.00 0.46 -0.30 1.96 0.00 0.00 0.00 179.25 181.36 1wei h GLN 94 N 0.98 0.44 -0.59 0.00 4.20 -0.77 -1.52 115.11 117.85 1wei h GLN 94 Ca 0.25 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 1wei h GLN 94 Cb 0.09 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1wei h GLN 94 CO -0.03 0.69 -0.03 0.37 -0.67 0.00 0.00 178.83 179.16 1wei h GLN 95 N 0.38 1.07 -0.61 1.46 4.15 -0.33 0.34 115.11 121.57 1wei h GLN 95 Ca 0.05 -0.36 -0.08 0.00 0.77 0.00 0.00 58.65 59.03 1wei h GLN 95 Cb 0.72 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1wei h GLN 95 CO 0.06 1.06 0.06 0.28 -1.93 0.00 0.00 178.83 178.36 1wei h VAL 96 N 0.96 1.26 -0.42 2.39 2.07 -0.82 0.22 116.25 121.92 1wei h VAL 96 Ca 0.16 -1.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.50 1wei h VAL 96 Cb 0.60 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1wei h VAL 96 CO 0.04 0.39 -0.27 0.00 0.02 0.00 0.00 177.57 177.75 1wei h ALA 97 N 1.11 0.60 0.02 1.67 0.00 -1.05 -1.34 119.26 120.27 1wei h ALA 97 Ca 0.18 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wei h ALA 97 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wei h ALA 97 CO 0.02 0.62 -0.01 1.15 0.00 0.00 0.00 179.25 181.03 1wei h THR 98 N 0.76 1.46 0.00 0.00 2.02 -0.70 -3.20 112.91 113.24 1wei h THR 98 Ca 0.09 -1.71 -0.21 0.00 0.77 0.00 0.00 66.41 65.35 1wei h THR 98 Cb 0.85 2.57 -0.04 0.00 -1.74 0.00 0.00 68.15 69.80 1wei h THR 98 CO 0.07 0.42 -1.41 -0.07 0.37 0.00 0.00 175.52 174.91 1wei h LEU 99 N -0.80 0.00 -3.11 2.58 3.38 -0.68 -3.39 115.31 113.28 1wei h LEU 99 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wei h LEU 99 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1wei h LEU 99 CO 0.01 0.74 -0.10 1.41 0.09 0.00 0.00 178.44 180.58 1wei n HIS 100 N -3.00 0.37 -2.37 1.13 8.25 -0.58 -4.98 115.22 114.05 1wei n HIS 100 Ca -0.10 -1.15 -0.15 0.00 -0.26 0.00 0.00 57.72 56.06 1wei n HIS 100 Cb 0.91 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.75 1wei n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wei n GLY 101 N -1.12 -0.38 2.40 -1.41 0.00 -1.15 -1.37 105.19 102.16 1wei n GLY 101 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1wei n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wei n GLY 102 N -0.83 0.86 3.50 -0.02 0.00 -0.78 -4.96 105.19 102.96 1wei n GLY 102 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1wei n GLY 102 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wei s LYS 103 N -0.15 3.36 0.09 1.61 2.47 -0.47 -4.64 119.74 122.01 1wei s LYS 103 Ca 0.00 -0.74 -0.34 0.00 -1.56 0.00 0.00 55.97 53.33 1wei s LYS 103 Cb 0.00 -3.80 -0.14 0.00 -1.46 0.00 0.00 37.83 32.43 1wei s LYS 103 CO 0.00 -0.50 1.64 0.34 0.16 0.00 0.00 175.35 176.98 1wei n PHE 104 N 5.10 2.23 -1.70 4.03 -0.00 -1.26 -4.79 117.46 121.06 1wei n PHE 104 Ca -0.12 0.23 -0.40 0.00 -0.00 0.00 0.00 57.45 57.16 1wei n PHE 104 Cb 0.49 -2.56 0.02 0.00 -0.00 0.00 0.00 39.48 37.43 1wei n PHE 104 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1wei n PRO 105 N 4.15 1.85 -0.12 -7.13 -0.04 -1.26 -4.94 135.00 127.51 1wei n PRO 105 Ca 0.19 0.66 0.04 0.00 -0.04 0.00 0.00 63.50 64.34 1wei n PRO 105 Cb 0.28 -2.39 0.10 0.00 -0.04 0.00 0.00 33.50 31.45 1wei n PRO 105 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wei n GLU 106 N -0.12 2.85 -4.64 0.54 1.02 -1.26 -4.80 120.64 114.22 1wei n GLU 106 Ca 0.07 -1.91 -0.33 0.00 -0.02 0.00 0.00 57.16 54.97 1wei n GLU 106 Cb 0.41 -1.21 -0.11 0.00 -0.02 0.00 0.00 31.44 30.50 1wei n GLU 106 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1wei s THR 107 N -1.22 3.53 0.14 2.62 -4.23 -1.26 -5.04 115.64 110.18 1wei s THR 107 Ca 0.16 -0.62 -0.23 0.00 -1.18 0.00 0.00 61.69 59.81 1wei s THR 107 Cb 0.10 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.49 1wei s THR 107 CO 0.08 0.54 1.63 0.15 -0.54 0.00 0.00 174.62 176.49 1wei h PHE 108 N 5.08 -0.67 -0.96 3.99 3.04 -1.95 -2.11 116.94 123.36 1wei h PHE 108 Ca -0.48 0.04 0.05 0.00 3.98 0.00 0.00 57.97 61.56 1wei h PHE 108 Cb 1.17 0.32 -0.06 0.00 2.56 0.00 0.00 35.95 39.94 1wei h PHE 108 CO 0.55 -0.33 0.62 0.93 -2.02 0.00 0.00 178.31 178.06 1wei h GLU 109 N -0.28 1.12 -0.12 1.11 3.07 -1.98 0.10 114.58 117.59 1wei h GLU 109 Ca 0.12 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.78 1wei h GLU 109 Cb 0.47 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1wei h GLU 109 CO -0.35 0.74 -0.50 0.93 -1.40 0.00 0.00 179.01 178.42 1wei h GLU 110 N 1.15 0.33 -0.03 2.33 3.07 -1.92 -1.30 114.58 118.19 1wei h GLU 110 Ca 0.40 -0.19 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 1wei h GLU 110 Cb 0.10 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1wei h GLU 110 CO -0.15 0.76 -0.16 0.28 -1.40 0.00 0.00 179.01 178.34 1wei h VAL 111 N 0.26 1.48 0.00 3.13 2.07 -0.82 -3.17 116.25 119.20 1wei h VAL 111 Ca 0.01 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1wei h VAL 111 Cb 0.98 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1wei h VAL 111 CO 0.08 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 178.07 1wei h ALA 112 N 0.38 1.30 0.00 1.67 0.00 -0.78 -1.49 119.26 120.32 1wei h ALA 112 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wei h ALA 112 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wei h ALA 112 CO 0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1wei n ALA 113 N -2.25 1.96 -1.77 0.00 0.00 -0.50 -4.69 120.51 113.26 1wei n ALA 113 Ca -0.02 -0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 1wei n ALA 113 Cb 0.16 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 1wei n ALA 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wei s LEU 114 N -3.79 4.20 0.33 0.00 1.43 -0.56 -4.97 118.68 115.31 1wei s LEU 114 Ca 0.09 2.31 -0.29 0.00 -1.03 0.00 0.00 54.13 55.21 1wei s LEU 114 Cb 0.12 -4.03 -0.11 0.00 0.03 0.00 0.00 46.19 42.21 1wei s LEU 114 CO 0.44 -0.64 1.43 -2.84 0.23 0.00 0.00 176.35 174.97 1wei s PRO 115 N -2.29 4.22 0.00 1.29 0.02 -1.26 -2.46 135.00 134.52 1wei s PRO 115 Ca 0.57 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.00 1wei s PRO 115 Cb -0.30 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.19 1wei s PRO 115 CO 0.37 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 1wei n GLY 116 N 0.98 0.91 3.10 0.52 0.00 -1.26 -4.63 105.19 104.81 1wei n GLY 116 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1wei n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wei s VAL 117 N -3.62 1.95 0.00 1.61 1.01 -1.03 -5.02 120.40 115.30 1wei s VAL 117 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1wei s VAL 117 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1wei s VAL 117 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1wei n GLY 118 N 4.57 2.41 0.27 4.51 0.00 -1.26 -4.65 105.19 111.04 1wei n GLY 118 Ca -0.20 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 43.66 1wei n GLY 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wei h ARG 119 N 0.00 0.83 -0.09 1.61 2.43 -1.99 -0.36 114.38 116.82 1wei h ARG 119 Ca 0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1wei h ARG 119 Cb 0.00 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1wei h ARG 119 CO 0.00 0.55 -0.14 1.03 -1.51 0.00 0.00 179.97 179.90 1wei h SER 120 N 0.86 0.28 -0.71 -3.80 0.87 -1.90 -1.96 113.55 107.19 1wei h SER 120 Ca 0.28 -0.53 -0.04 0.00 -1.23 0.00 0.00 61.79 60.27 1wei h SER 120 Cb 0.01 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 1wei h SER 120 CO -0.10 0.76 0.30 0.74 -0.53 0.00 0.00 176.83 177.99 1wei h THR 121 N -0.19 1.24 -0.59 2.23 2.02 -1.92 0.35 112.91 116.06 1wei h THR 121 Ca 0.01 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 1wei h THR 121 Cb 0.70 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1wei h THR 121 CO 0.03 0.31 0.18 0.00 0.37 0.00 0.00 175.52 176.41 1wei h ALA 122 N 1.28 0.77 -0.63 6.16 0.00 -1.07 -0.24 119.26 125.53 1wei h ALA 122 Ca 0.24 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1wei h ALA 122 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1wei h ALA 122 CO -0.02 0.45 0.23 0.78 0.00 0.00 0.00 179.25 180.68 1wei h GLY 123 N 0.84 1.00 0.85 0.00 0.00 -0.74 -2.31 103.07 102.70 1wei h GLY 123 Ca 0.19 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1wei h GLY 123 CO -0.00 0.51 -0.09 0.00 0.00 0.00 0.00 176.54 176.96 1wei h ALA 124 N 1.33 0.34 -0.04 3.60 0.00 -0.45 -0.77 119.26 123.27 1wei h ALA 124 Ca 0.21 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1wei h ALA 124 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wei h ALA 124 CO -0.01 0.17 -0.09 0.82 0.00 0.00 0.00 179.25 180.13 1wei h ILE 125 N 0.22 0.76 -0.08 0.00 2.04 -0.86 -1.26 117.51 118.34 1wei h ILE 125 Ca 0.06 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.72 1wei h ILE 125 Cb 0.57 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1wei h ILE 125 CO 0.03 0.00 -0.76 -0.07 0.00 0.00 0.00 178.15 177.35 1wei h LEU 126 N -0.13 0.54 -0.14 1.44 3.38 -1.44 -2.27 115.31 116.68 1wei h LEU 126 Ca 0.05 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1wei h LEU 126 Cb 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wei h LEU 126 CO -0.12 1.12 -0.24 0.77 0.09 0.00 0.00 178.44 180.06 1wei h SER 127 N 0.30 0.45 0.00 -0.43 4.64 -1.09 -1.76 113.55 115.67 1wei h SER 127 Ca -0.04 -0.54 -0.18 0.00 -0.47 0.00 0.00 61.79 60.56 1wei h SER 127 Cb 1.35 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1wei h SER 127 CO 0.13 0.91 -0.64 -0.07 -0.87 0.00 0.00 176.83 176.29 1wei h LEU 128 N 0.01 0.70 0.00 5.97 3.38 -1.32 -0.21 115.31 123.84 1wei h LEU 128 Ca 0.01 -0.41 -0.28 0.00 0.09 0.00 0.00 57.88 57.28 1wei h LEU 128 Cb 0.82 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1wei h LEU 128 CO 0.05 1.16 -1.62 0.77 0.09 0.00 0.00 178.44 178.90 1wei h SER 129 N 0.45 0.00 0.00 -0.43 4.64 -1.51 -3.41 113.55 113.29 1wei h SER 129 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1wei h SER 129 Cb 1.22 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1wei h SER 129 CO 0.12 1.00 0.00 0.18 -0.87 0.00 0.00 176.83 177.27 1wei n LEU 130 N -3.08 0.43 -0.51 5.97 4.77 -0.71 -4.72 117.00 119.15 1wei n LEU 130 Ca -0.15 -0.63 -0.06 0.00 -0.03 0.00 0.00 56.01 55.14 1wei n LEU 130 Cb 1.04 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.11 1wei n LEU 130 CO 0.45 0.11 -0.06 0.61 -1.33 0.00 0.00 177.39 177.17 1wei n GLY 131 N 0.40 0.65 3.78 -0.72 0.00 -0.09 -4.98 105.19 104.23 1wei n GLY 131 Ca 0.00 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 1wei n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wei s LYS 132 N -2.95 3.89 -1.21 1.61 1.02 -0.91 -4.86 119.74 116.32 1wei s LYS 132 Ca 0.00 1.53 -0.18 0.00 0.02 0.00 0.00 55.97 57.35 1wei s LYS 132 Cb 0.00 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1wei s LYS 132 CO 0.00 -0.38 2.03 0.72 -0.92 0.00 0.00 175.35 176.80 1wei n HIS 133 N -0.54 3.20 -4.55 3.18 8.25 -1.26 -3.93 115.22 119.56 1wei n HIS 133 Ca 0.07 -2.48 -0.22 0.00 -0.26 0.00 0.00 57.72 54.84 1wei n HIS 133 Cb 0.50 -2.34 -0.14 0.00 1.12 0.00 0.00 29.99 29.12 1wei n HIS 133 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1wei s PHE 134 N 4.66 1.29 0.45 4.41 0.08 -1.26 -5.03 117.98 122.57 1wei s PHE 134 Ca 0.53 -0.29 -0.00 0.00 0.12 0.00 0.00 56.93 57.29 1wei s PHE 134 Cb 0.11 -0.80 -0.01 0.00 -0.57 0.00 0.00 43.02 41.75 1wei s PHE 134 CO 0.02 0.01 0.67 -1.25 -0.10 0.00 0.00 175.22 174.57 1wei s PRO 135 N -0.66 3.15 0.30 0.24 0.04 -1.26 -4.83 135.00 131.98 1wei s PRO 135 Ca 0.04 -0.39 0.07 0.00 0.04 0.00 0.00 61.00 60.77 1wei s PRO 135 Cb -0.06 -2.54 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 1wei s PRO 135 CO 0.00 -0.23 -0.05 0.96 0.04 0.00 0.00 177.00 177.72 1wei s ILE 136 N -2.56 1.76 -0.49 0.56 -4.36 -1.26 -4.69 121.20 110.16 1wei s ILE 136 Ca 0.47 -2.13 0.06 0.00 -0.26 0.00 0.00 60.65 58.80 1wei s ILE 136 Cb -0.10 -2.55 0.22 0.00 1.25 0.00 0.00 42.46 41.28 1wei s ILE 136 CO 0.39 -0.24 0.78 -0.11 0.24 0.00 0.00 174.94 176.00 1wei n LEU 137 N -0.66 -2.75 0.00 0.37 7.94 -1.26 -4.90 117.00 115.74 1wei n LEU 137 Ca -0.05 -3.33 -0.05 0.00 -1.11 0.00 0.00 56.01 51.47 1wei n LEU 137 Cb 0.64 0.78 0.02 0.00 0.53 0.00 0.00 43.42 45.39 1wei n LEU 137 CO 0.41 1.98 0.10 -0.90 -1.11 0.00 0.00 177.39 177.86 1wei n ASP 138 N 2.14 0.53 -0.34 1.96 3.85 -1.26 -4.83 116.55 118.60 1wei n ASP 138 Ca 0.14 -1.39 0.02 0.00 -0.71 0.00 0.00 54.79 52.85 1wei n ASP 138 Cb 0.59 -0.11 0.16 0.00 -1.35 0.00 0.00 41.12 40.41 1wei n ASP 138 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1wei h GLY 139 N 0.02 1.42 0.88 6.12 0.00 -1.99 -0.49 103.07 109.03 1wei h GLY 139 Ca -0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1wei h GLY 139 CO 0.10 0.30 0.08 3.43 0.00 0.00 0.00 176.54 180.44 1wei h ASN 140 N 1.08 0.29 -0.46 0.19 2.35 -1.93 -2.67 115.58 114.43 1wei h ASN 140 Ca 0.41 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 1wei h ASN 140 Cb 0.18 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1wei h ASN 140 CO -0.18 0.39 0.03 0.58 -1.65 0.00 0.00 177.43 176.61 1wei h VAL 141 N 0.18 1.26 -0.79 2.81 2.07 -1.73 -2.73 116.25 117.31 1wei h VAL 141 Ca 0.07 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.67 1wei h VAL 141 Cb 0.20 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1wei h VAL 141 CO -0.00 0.34 0.46 0.11 0.02 0.00 0.00 177.57 178.50 1wei h LYS 142 N 0.64 0.79 0.22 1.57 1.57 -1.06 -1.03 116.57 119.27 1wei h LYS 142 Ca 0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1wei h LYS 142 Cb 0.45 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1wei h LYS 142 CO 0.02 0.52 -0.12 0.00 -0.57 0.00 0.00 179.45 179.30 1wei h ARG 143 N 0.82 -0.30 -0.02 3.15 3.08 -1.32 0.34 114.38 120.13 1wei h ARG 143 Ca 0.36 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1wei h ARG 143 Cb 0.26 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1wei h ARG 143 CO -0.21 -0.20 -0.01 0.28 -1.07 0.00 0.00 179.97 178.76 1wei h VAL 144 N -0.32 0.97 -0.59 2.04 2.07 -1.15 -1.40 116.25 117.87 1wei h VAL 144 Ca -0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1wei h VAL 144 Cb 0.26 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1wei h VAL 144 CO 0.03 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.54 1wei h LEU 145 N -0.01 1.04 -0.99 2.57 3.38 -1.18 -3.00 115.31 117.12 1wei h LEU 145 Ca 0.01 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1wei h LEU 145 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1wei h LEU 145 CO -0.02 1.10 0.08 0.00 0.09 0.00 0.00 178.44 179.68 1wei h ALA 146 N 0.98 1.17 0.00 1.53 0.00 -0.81 -0.68 119.26 121.45 1wei h ALA 146 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wei h ALA 146 Cb 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wei h ALA 146 CO 0.03 0.55 0.00 0.54 0.00 0.00 0.00 179.25 180.37 1wei n ARG 147 N -4.25 0.86 0.00 0.00 1.74 -0.54 -0.55 116.66 113.91 1wei n ARG 147 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1wei n ARG 147 Cb 0.26 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1wei n ARG 147 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1wei n TYR 149 N 0.28 0.00 -3.58 -1.55 4.01 -0.26 -1.86 117.16 114.20 1wei n TYR 149 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 1wei n TYR 149 Cb 0.30 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.38 1wei n TYR 149 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wei n ALA 150 N 0.00 -2.24 -3.03 -0.72 0.00 -0.15 -4.95 120.51 109.43 1wei n ALA 150 Ca 0.00 -0.11 -0.45 0.00 0.00 0.00 0.00 53.44 52.88 1wei n ALA 150 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 19.45 16.12 1wei n ALA 150 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wei s VAL 151 N -3.54 4.98 -1.67 0.00 1.01 0.28 -4.91 120.40 116.55 1wei s VAL 151 Ca 0.20 -0.99 0.26 0.00 0.00 0.00 0.00 61.98 61.46 1wei s VAL 151 Cb -0.05 -4.36 0.23 0.00 0.00 0.00 0.00 36.38 32.20 1wei s VAL 151 CO 0.80 -0.91 1.54 -1.54 0.00 0.00 0.00 175.10 174.98 1wei n SER 152 N 5.90 0.98 -4.80 3.32 3.41 -1.26 -4.10 113.62 117.06 1wei n SER 152 Ca -0.10 -0.83 -0.30 0.00 -0.26 0.00 0.00 58.87 57.38 1wei n SER 152 Cb 0.43 0.16 0.09 0.00 -0.26 0.00 0.00 64.21 64.63 1wei n SER 152 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wei s GLY 153 N -2.56 1.63 -0.18 5.00 0.00 -1.26 -2.74 107.32 107.21 1wei s GLY 153 Ca 0.23 -0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.49 1wei s GLY 153 CO 0.54 0.25 0.99 0.86 0.00 0.00 0.00 173.10 175.75 1wei s TRP 154 N -3.14 3.41 -0.24 1.90 -0.00 -1.26 -1.37 118.94 118.25 1wei s TRP 154 Ca 0.61 1.48 0.14 0.00 -0.00 0.00 0.00 56.10 58.32 1wei s TRP 154 Cb -0.14 -3.20 0.77 0.00 -0.00 0.00 0.00 33.47 30.90 1wei s TRP 154 CO 0.54 -0.35 1.38 -2.30 -0.00 0.00 0.00 176.95 176.22 1wei n PRO 155 N 5.69 0.09 0.29 5.86 -0.02 -1.26 -0.56 135.00 145.09 1wei n PRO 155 Ca 0.10 0.57 0.18 0.00 -2.02 0.00 0.00 63.50 62.32 1wei n PRO 155 Cb 0.47 -1.94 0.80 0.00 -0.02 0.00 0.00 33.50 32.82 1wei n PRO 155 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1wei h GLY 156 N 0.00 0.00 -5.00 -1.23 0.00 -1.92 -3.35 103.07 91.57 1wei h GLY 156 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1wei h GLY 156 CO 0.00 0.00 0.23 0.54 0.00 0.00 0.00 176.54 177.31 1wei s LYS 157 N -3.82 4.42 0.26 4.80 -0.14 0.27 -4.97 119.74 120.56 1wei s LYS 157 Ca -0.01 1.03 -0.04 0.00 -1.36 0.00 0.00 55.97 55.59 1wei s LYS 157 Cb 0.10 -3.49 0.52 0.00 -1.68 0.00 0.00 37.83 33.28 1wei s LYS 157 CO 0.52 -0.07 1.64 -0.22 -0.76 0.00 0.00 175.35 176.46 1wei h LYS 158 N 6.93 0.13 -0.34 1.68 3.64 -1.87 -0.45 116.57 126.29 1wei h LYS 158 Ca -0.38 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.94 1wei h LYS 158 Cb 1.18 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1wei h LYS 158 CO 0.78 0.09 -0.01 1.05 -2.27 0.00 0.00 179.45 179.08 1wei h GLU 159 N 0.14 0.53 -0.09 1.90 4.11 -1.94 -0.57 114.58 118.66 1wei h GLU 159 Ca 0.45 -0.12 -0.22 0.00 0.07 0.00 0.00 59.36 59.55 1wei h GLU 159 Cb 0.84 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.02 1wei h GLU 159 CO -0.67 0.56 -0.80 0.28 0.07 0.00 0.00 179.01 178.46 1wei h VAL 160 N 0.51 1.30 -0.56 -1.06 2.07 -1.42 -2.12 116.25 114.97 1wei h VAL 160 Ca 0.11 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1wei h VAL 160 Cb 0.34 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1wei h VAL 160 CO 0.01 0.63 0.37 -0.08 0.02 0.00 0.00 177.57 178.52 1wei h GLU 161 N 0.37 0.74 -0.55 1.57 4.57 -0.92 -0.63 114.58 119.72 1wei h GLU 161 Ca -0.08 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.00 1wei h GLU 161 Cb 1.44 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.84 1wei h GLU 161 CO 0.16 0.50 0.13 -0.91 -1.18 0.00 0.00 179.01 177.71 1wei h ASN 162 N 0.76 0.80 -0.43 1.04 -0.26 -1.09 -0.47 115.58 115.92 1wei h ASN 162 Ca 0.20 -0.15 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1wei h ASN 162 Cb -0.08 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 36.96 1wei h ASN 162 CO -0.04 0.78 0.20 0.50 -1.06 0.00 0.00 177.43 177.81 1wei h LYS 163 N 0.82 0.63 -0.54 0.81 1.63 -0.78 -2.87 116.57 116.28 1wei h LYS 163 Ca 0.18 -0.10 -0.09 0.00 -0.85 0.00 0.00 60.65 59.79 1wei h LYS 163 Cb 0.30 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1wei h LYS 163 CO -0.00 0.55 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.46 1wei h LEU 164 N 0.55 0.90 -1.91 5.20 3.38 -0.70 -1.58 115.31 121.16 1wei h LEU 164 Ca 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1wei h LEU 164 Cb 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1wei h LEU 164 CO -0.02 0.97 0.00 0.79 0.09 0.00 0.00 178.44 180.28 1wei n TRP 165 N -4.19 0.00 0.00 1.13 7.02 -0.22 -1.09 117.44 120.09 1wei n TRP 165 Ca 0.03 -0.12 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 1wei n TRP 165 Cb 0.33 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.09 1wei n TRP 165 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1wei n LEU 167 N 0.82 0.00 -0.15 -0.99 4.77 -0.60 -1.16 117.00 119.70 1wei n LEU 167 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1wei n LEU 167 Cb 0.13 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1wei n LEU 167 CO 0.00 0.00 1.01 -1.28 -1.33 0.00 0.00 177.39 175.79 1wei h SER 168 N 0.00 0.55 -0.62 -1.43 0.87 -1.38 -1.98 113.55 109.55 1wei h SER 168 Ca 0.00 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1wei h SER 168 Cb 0.00 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1wei h SER 168 CO 0.00 0.47 0.34 -0.08 -0.53 0.00 0.00 176.83 177.03 1wei h GLU 169 N 0.58 0.87 -0.59 2.24 4.81 -1.40 -1.94 114.58 119.16 1wei h GLU 169 Ca 0.16 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1wei h GLU 169 Cb 0.04 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1wei h GLU 169 CO -0.03 0.66 0.35 1.96 -0.73 0.00 0.00 179.01 181.22 1wei h GLN 170 N 0.84 0.79 0.00 1.92 4.20 -1.71 -2.98 115.11 118.17 1wei h GLN 170 Ca 0.22 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1wei h GLN 170 Cb 0.04 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1wei h GLN 170 CO -0.04 0.56 -0.76 1.33 -0.67 0.00 0.00 178.83 179.25 1wei n VAL 171 N -4.41 0.03 -2.91 -0.54 0.24 -0.78 -4.81 118.33 105.15 1wei n VAL 171 Ca 0.06 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 61.89 1wei n VAL 171 Cb 0.08 0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 32.88 1wei n VAL 171 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wei s THR 172 N -3.04 4.85 0.59 3.34 2.01 -0.74 -4.26 115.64 118.38 1wei s THR 172 Ca 0.09 1.54 -0.04 0.00 0.31 0.00 0.00 61.69 63.58 1wei s THR 172 Cb 0.16 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.59 1wei s THR 172 CO 0.77 -0.06 0.88 -2.16 -0.69 0.00 0.00 174.62 173.36 1wei s PRO 173 N 2.78 2.75 -0.19 4.92 0.04 -1.26 -4.96 135.00 139.08 1wei s PRO 173 Ca 0.34 -0.21 -0.21 0.00 0.04 0.00 0.00 61.00 60.96 1wei s PRO 173 Cb -0.15 -2.32 -0.21 0.00 0.04 0.00 0.00 34.50 31.86 1wei s PRO 173 CO 0.08 -0.75 0.30 0.00 0.04 0.00 0.00 177.00 176.66 1wei h ALA 174 N -0.15 0.25 -2.25 8.56 0.00 -1.96 -3.35 119.26 120.35 1wei h ALA 174 Ca -0.45 -1.15 -0.55 0.00 0.00 0.00 0.00 54.91 52.76 1wei h ALA 174 Cb 1.27 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1wei h ALA 174 CO 0.59 0.69 1.05 0.08 0.00 0.00 0.00 179.25 181.66 1wei s VAL 175 N -2.37 3.69 -0.38 0.00 1.01 -1.26 -2.41 120.40 118.68 1wei s VAL 175 Ca -0.27 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1wei s VAL 175 Cb 0.05 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1wei s VAL 175 CO 0.62 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1wei n GLY 176 N 4.04 0.65 0.34 4.51 0.00 -1.26 -4.94 105.19 108.53 1wei n GLY 176 Ca 0.17 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.36 1wei n GLY 176 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wei h VAL 177 N 0.00 1.02 -0.67 1.61 3.04 -1.62 -0.95 116.25 118.68 1wei h VAL 177 Ca -0.07 -0.21 -0.06 0.00 -1.01 0.00 0.00 66.70 65.34 1wei h VAL 177 Cb 0.23 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 29.82 1wei h VAL 177 CO 0.11 0.11 0.19 1.05 -1.01 0.00 0.00 177.57 178.02 1wei h GLU 178 N 0.63 1.06 -0.16 4.17 9.09 -1.87 -0.50 114.58 126.99 1wei h GLU 178 Ca 0.26 -0.24 -0.21 0.00 0.05 0.00 0.00 59.36 59.21 1wei h GLU 178 Cb 0.23 -0.15 0.01 0.00 -1.65 0.00 0.00 28.75 27.19 1wei h GLU 178 CO -0.08 0.93 -0.74 0.00 0.05 0.00 0.00 179.01 179.18 1wei h ARG 179 N 0.99 0.79 -0.46 1.06 3.08 -1.77 -2.80 114.38 115.26 1wei h ARG 179 Ca 0.21 -0.63 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 1wei h ARG 179 Cb 0.33 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1wei h ARG 179 CO -0.00 1.24 0.18 0.35 -1.07 0.00 0.00 179.97 180.67 1wei h PHE 180 N 0.52 0.71 -0.42 3.04 3.57 -1.04 0.26 116.94 123.58 1wei h PHE 180 Ca -0.05 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.28 1wei h PHE 180 Cb 1.37 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1wei h PHE 180 CO 0.09 0.60 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.63 1wei h ASN 181 N 0.60 0.87 -0.22 0.41 2.35 -1.15 -0.87 115.58 117.57 1wei h ASN 181 Ca 0.15 -0.32 -0.13 0.00 -0.55 0.00 0.00 56.30 55.45 1wei h ASN 181 Cb 0.20 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1wei h ASN 181 CO -0.01 1.06 -0.33 -0.61 -1.65 0.00 0.00 177.43 175.89 1wei h GLN 182 N 0.74 0.74 -0.51 0.81 5.75 -1.38 -2.67 115.11 118.59 1wei h GLN 182 Ca 0.10 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1wei h GLN 182 Cb 0.76 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 1wei h GLN 182 CO 0.06 0.96 0.26 0.00 -2.65 0.00 0.00 178.83 177.47 1wei h ALA 183 N 1.01 0.65 -0.76 3.38 0.00 -0.65 -0.60 119.26 122.28 1wei h ALA 183 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wei h ALA 183 Cb 0.86 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1wei h ALA 183 CO 0.08 0.20 0.46 0.52 0.00 0.00 0.00 179.25 180.50 1wei h MET 184 N 0.67 1.03 -0.49 0.00 2.86 -1.05 0.18 114.93 118.15 1wei h MET 184 Ca 0.18 -0.10 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 1wei h MET 184 Cb 0.09 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1wei h MET 184 CO -0.02 0.73 -0.19 0.52 1.06 0.00 0.00 176.91 179.01 1wei h MET 185 N 1.04 0.99 -0.61 1.72 2.07 -1.19 -1.42 114.93 117.52 1wei h MET 185 Ca 0.27 -0.41 -0.04 0.00 -2.07 0.00 0.00 59.70 57.45 1wei h MET 185 Cb -0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.63 1wei h MET 185 CO -0.05 1.08 0.23 -0.44 1.07 0.00 0.00 176.91 178.80 1wei h ASP 186 N 0.84 0.85 -0.37 1.22 3.32 -0.73 -1.12 116.42 120.44 1wei h ASP 186 Ca 0.11 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1wei h ASP 186 Cb 0.76 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1wei h ASP 186 CO 0.06 0.80 0.21 0.25 -1.72 0.00 0.00 179.24 178.85 1wei h LEU 187 N 0.85 0.45 -0.84 1.55 5.85 -0.46 -0.31 115.31 122.41 1wei h LEU 187 Ca 0.20 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 1wei h LEU 187 Cb 0.23 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1wei h LEU 187 CO -0.01 0.38 -0.56 1.23 -0.34 0.00 0.00 178.44 179.14 1wei h GLY 188 N 0.48 0.05 1.36 3.75 0.00 -1.15 0.30 103.07 107.86 1wei h GLY 188 Ca 0.13 -0.06 -0.30 0.00 0.00 0.00 0.00 47.33 47.10 1wei h GLY 188 CO -0.02 0.06 -1.28 0.00 0.00 0.00 0.00 176.54 175.29 1wei h ALA 189 N 1.39 0.01 -0.22 3.60 0.00 -0.97 -3.37 119.26 119.70 1wei h ALA 189 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1wei h ALA 189 Cb 1.01 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wei h ALA 189 CO 0.08 0.76 0.00 -1.33 0.00 0.00 0.00 179.25 178.76 1wei n MET 190 N -3.71 1.97 0.00 0.00 2.81 -0.15 -4.82 117.12 113.22 1wei n MET 190 Ca -0.13 -1.71 0.00 0.00 -1.81 0.00 0.00 57.70 54.06 1wei n MET 190 Cb 1.01 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 1wei n MET 190 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wei s THR 193 N 0.00 4.44 0.19 0.00 -4.23 -1.26 -4.68 115.64 110.11 1wei s THR 193 Ca 0.00 0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 61.25 1wei s THR 193 Cb 0.00 -3.69 0.16 0.00 1.34 0.00 0.00 72.50 70.31 1wei s THR 193 CO 0.00 -0.91 1.61 0.03 -0.54 0.00 0.00 174.62 174.81 1wei h ARG 194 N -0.02 -0.10 -6.28 3.99 2.47 -1.96 -3.35 114.38 109.13 1wei h ARG 194 Ca -0.45 0.01 -0.69 0.00 -1.26 0.00 0.00 59.98 57.59 1wei h ARG 194 Cb 1.20 0.02 -0.21 0.00 -1.65 0.00 0.00 29.97 29.33 1wei h ARG 194 CO 0.60 -0.07 -0.74 0.45 0.56 0.00 0.00 179.97 180.77 1wei s SER 195 N -5.17 4.26 -1.03 7.04 0.15 -1.26 -4.78 113.70 112.91 1wei s SER 195 Ca -0.14 -0.15 -0.16 0.00 0.70 0.00 0.00 55.95 56.19 1wei s SER 195 Cb 0.17 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1wei s SER 195 CO 0.71 0.34 0.73 0.29 1.20 0.00 0.00 173.24 176.51 1wei n LYS 196 N 2.15 -1.14 -1.85 5.44 4.76 -1.26 -4.90 118.16 121.36 1wei n LYS 196 Ca -0.17 0.59 -0.37 0.00 -2.87 0.00 0.00 58.31 55.48 1wei n LYS 196 Cb 0.52 -3.70 0.04 0.00 -1.84 0.00 0.00 35.03 30.06 1wei n LYS 196 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1wei s PRO 197 N -5.62 2.98 -1.35 1.97 0.04 -1.26 -4.80 135.00 126.96 1wei s PRO 197 Ca 0.32 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 63.36 1wei s PRO 197 Cb -0.13 -2.08 0.11 0.00 0.04 0.00 0.00 34.50 32.44 1wei s PRO 197 CO 0.87 -1.27 2.25 1.63 0.04 0.00 0.00 177.00 180.52 1wei n LYS 198 N -1.36 4.00 0.00 4.56 5.02 -1.26 -4.95 118.16 124.17 1wei n LYS 198 Ca 0.12 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 53.14 1wei n LYS 198 Cb 0.47 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 1wei n LYS 198 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wei n LEU 201 N 1.63 0.00 -4.75 0.00 4.77 -1.26 -4.56 117.00 112.82 1wei n LEU 201 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1wei n LEU 201 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1wei n LEU 201 CO 0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 177.39 176.02 1wei n PRO 203 N 3.28 0.04 -0.13 0.00 -0.04 -1.26 -2.30 135.00 134.58 1wei n PRO 203 Ca -0.14 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 1wei n PRO 203 Cb 0.52 -1.58 0.17 0.00 -0.04 0.00 0.00 33.50 32.57 1wei n PRO 203 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wei n LEU 204 N -1.65 3.20 0.22 1.53 4.77 -1.26 -4.59 117.00 119.22 1wei n LEU 204 Ca 0.02 -1.39 0.14 0.00 -0.03 0.00 0.00 56.01 54.76 1wei n LEU 204 Cb 0.15 -0.18 0.77 0.00 -2.33 0.00 0.00 43.42 41.83 1wei n LEU 204 CO 0.12 0.66 1.12 0.06 -1.33 0.00 0.00 177.39 178.02 1wei h GLN 205 N 4.16 0.00 0.00 3.23 3.07 -1.70 -0.15 115.11 123.72 1wei h GLN 205 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1wei h GLN 205 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.49 1wei h GLN 205 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 178.83 179.19 1wei n ASN 206 N -4.14 0.00 0.00 0.06 6.94 -1.26 -3.96 115.26 112.90 1wei n ASN 206 Ca -0.00 0.44 0.00 0.00 -0.02 0.00 0.00 54.58 55.00 1wei n ASN 206 Cb 0.22 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 1wei n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wei n GLY 207 N 0.91 0.94 3.68 4.83 0.00 -0.80 -5.07 105.19 109.68 1wei n GLY 207 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1wei n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wei h ILE 209 N 4.91 1.23 -0.91 0.00 2.04 -1.91 -1.75 117.51 121.12 1wei h ILE 209 Ca -0.45 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 1wei h ILE 209 Cb 1.21 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1wei h ILE 209 CO 0.94 0.29 0.56 0.00 0.00 0.00 0.00 178.15 179.94 1wei h ALA 210 N 1.03 1.16 -0.46 1.87 0.00 -1.72 -0.85 119.26 120.29 1wei h ALA 210 Ca 0.17 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1wei h ALA 210 Cb 0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1wei h ALA 210 CO -0.01 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.81 1wei h ALA 211 N 1.31 0.63 -0.71 0.00 0.00 -1.79 0.37 119.26 119.06 1wei h ALA 211 Ca 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wei h ALA 211 Cb -0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1wei h ALA 211 CO -0.06 0.47 0.30 0.00 0.00 0.00 0.00 179.25 179.95 1wei h ALA 212 N 0.90 1.17 -0.09 0.00 0.00 -0.81 -2.88 119.26 117.54 1wei h ALA 212 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wei h ALA 212 Cb 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1wei h ALA 212 CO 0.03 0.60 0.00 0.09 0.00 0.00 0.00 179.25 179.98 1wei n ASN 213 N -4.30 2.77 -3.87 0.00 3.02 -0.37 -4.95 115.26 107.56 1wei n ASN 213 Ca 0.06 -1.90 -0.26 0.00 -0.03 0.00 0.00 54.58 52.46 1wei n ASN 213 Cb 0.17 -0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.30 1wei n ASN 213 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wei n ASN 214 N 1.13 -1.70 -0.47 6.41 5.03 0.11 -4.89 115.26 120.88 1wei n ASN 214 Ca 0.16 -0.89 0.07 0.00 0.87 0.00 0.00 54.58 54.78 1wei n ASN 214 Cb 0.55 -3.57 0.14 0.00 -1.02 0.00 0.00 39.78 35.87 1wei n ASN 214 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1wei n SER 215 N -2.96 1.70 0.05 6.41 3.41 -0.08 -4.83 113.62 117.33 1wei n SER 215 Ca -0.21 -3.17 0.21 0.00 -0.26 0.00 0.00 58.87 55.44 1wei n SER 215 Cb 0.64 -0.43 0.74 0.00 -0.26 0.00 0.00 64.21 64.90 1wei n SER 215 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1wei h TRP 216 N 0.49 0.00 0.00 7.33 5.08 -1.91 -0.94 115.95 126.00 1wei h TRP 216 Ca -0.02 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.94 1wei h TRP 216 Cb 1.14 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.30 1wei h TRP 216 CO 0.32 0.00 -0.01 0.00 -1.28 0.00 0.00 178.44 177.47 1wei h ALA 217 N 1.53 1.09 0.00 0.11 0.00 -1.91 -2.19 119.26 117.89 1wei h ALA 217 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wei h ALA 217 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wei h ALA 217 CO -0.00 0.01 -0.36 1.28 0.00 0.00 0.00 179.25 180.18 1wei n LEU 218 N -3.22 0.48 -4.01 0.00 4.77 -0.36 -4.86 117.00 109.80 1wei n LEU 218 Ca -0.02 0.25 -0.25 0.00 -0.03 0.00 0.00 56.01 55.96 1wei n LEU 218 Cb 0.13 -0.30 -0.17 0.00 -2.33 0.00 0.00 43.42 40.76 1wei n LEU 218 CO 0.23 0.01 -0.47 -0.31 -1.33 0.00 0.00 177.39 175.52 1wei s TYR 219 N -3.06 1.50 0.95 -1.77 2.02 -0.82 -3.66 117.35 112.50 1wei s TYR 219 Ca 0.10 -0.58 -0.14 0.00 -0.37 0.00 0.00 57.07 56.08 1wei s TYR 219 Cb 0.16 -1.11 0.16 0.00 -0.40 0.00 0.00 41.96 40.77 1wei s TYR 219 CO 0.65 -0.32 1.18 -2.14 -1.57 0.00 0.00 175.55 173.36 1wei s PRO 220 N 0.80 0.81 0.55 -1.71 0.02 -1.26 -4.62 135.00 129.58 1wei s PRO 220 Ca -0.12 0.06 -0.18 0.00 0.02 0.00 0.00 61.00 60.78 1wei s PRO 220 Cb -0.15 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 1wei s PRO 220 CO 0.02 -2.38 1.06 0.20 -0.33 0.00 0.00 177.00 175.57 1wei s GLY 221 N -4.28 2.33 0.38 0.52 0.00 -0.47 -4.96 107.32 100.85 1wei s GLY 221 Ca 0.67 0.53 -0.02 0.00 0.00 0.00 0.00 44.72 45.90 1wei s GLY 221 CO 0.53 0.85 0.63 0.54 0.00 0.00 0.00 173.10 175.65 1wei s LYS 222 N -3.66 3.53 -0.00 2.90 1.02 -1.26 -4.25 119.74 118.02 1wei s LYS 222 Ca 0.66 -0.10 -0.32 0.00 0.02 0.00 0.00 55.97 56.23 1wei s LYS 222 Cb -0.17 -2.56 -0.10 0.00 -0.52 0.00 0.00 37.83 34.47 1wei s LYS 222 CO 0.29 0.04 1.93 1.17 -0.92 0.00 0.00 175.35 177.86 1wei n LYS 223 N -1.81 2.61 0.00 1.68 4.81 -1.26 -4.63 118.16 119.56 1wei n LYS 223 Ca -0.03 0.96 0.09 0.00 -0.87 0.00 0.00 58.31 58.47 1wei n LYS 223 Cb 0.55 -2.87 0.56 0.00 0.02 0.00 0.00 35.03 33.30 1wei n LYS 223 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22