#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stf s PRO 2 N 0.00 -0.60 0.13 6.28 0.02 -1.26 -4.95 135.00 134.62 1stf s PRO 2 Ca 0.00 0.50 -0.00 0.00 0.02 0.00 0.00 61.00 61.52 1stf s PRO 2 Cb 0.00 -1.62 -0.11 0.00 0.02 0.00 0.00 34.50 32.79 1stf s PRO 2 CO 0.00 -3.43 1.29 0.93 -0.33 0.00 0.00 177.00 175.47 1stf h GLU 3 N -2.39 0.23 -4.73 5.54 5.08 -1.99 -3.44 114.58 112.88 1stf h GLU 3 Ca -0.56 -0.30 -0.49 0.00 -1.00 0.00 0.00 59.36 57.02 1stf h GLU 3 Cb 1.33 0.10 -0.32 0.00 0.50 0.00 0.00 28.75 30.36 1stf h GLU 3 CO 0.51 1.05 -0.81 0.71 -1.00 0.00 0.00 179.01 179.47 1stf s TYR 4 N -3.02 1.29 -0.04 4.33 1.51 -1.26 -3.40 117.35 116.76 1stf s TYR 4 Ca -0.03 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1stf s TYR 4 Cb 0.09 -0.92 -0.00 0.00 -0.11 0.00 0.00 41.96 41.01 1stf s TYR 4 CO 0.85 -0.18 -0.16 0.08 -1.11 0.00 0.00 175.55 175.03 1stf s VAL 5 N 0.35 1.37 -0.29 0.71 1.01 0.10 -4.96 120.40 118.68 1stf s VAL 5 Ca -0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1stf s VAL 5 Cb -0.12 -1.18 0.12 0.00 0.00 0.00 0.00 36.38 35.20 1stf s VAL 5 CO 0.02 0.40 0.24 -0.62 0.00 0.00 0.00 175.10 175.14 1stf s ASP 6 N 0.04 2.31 0.47 3.32 2.15 -1.26 -0.98 116.67 122.72 1stf s ASP 6 Ca -0.03 -0.99 0.32 0.00 0.43 0.00 0.00 52.55 52.27 1stf s ASP 6 Cb -0.11 0.20 1.53 0.00 -0.30 0.00 0.00 42.92 44.24 1stf s ASP 6 CO 0.02 -0.40 1.96 -0.50 -0.17 0.00 0.00 175.17 176.08 1stf h TRP 7 N 8.25 0.00 -0.36 -5.34 4.06 -1.61 -0.43 115.95 120.51 1stf h TRP 7 Ca -0.14 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.78 1stf h TRP 7 Cb 1.05 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.19 1stf h TRP 7 CO 0.29 0.00 0.13 0.00 -3.56 0.00 0.00 178.44 175.29 1stf h ARG 8 N 0.00 0.55 0.00 0.49 3.08 -1.91 0.40 114.38 116.98 1stf h ARG 8 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1stf h ARG 8 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1stf h ARG 8 CO 0.00 0.55 0.00 1.04 -1.07 0.00 0.00 179.97 180.49 1stf n GLN 9 N -4.66 0.09 -0.69 0.04 6.02 -0.18 -0.54 117.38 117.45 1stf n GLN 9 Ca -0.01 0.36 0.03 0.00 -0.01 0.00 0.00 57.00 57.37 1stf n GLN 9 Cb 0.16 -1.68 0.28 0.00 1.02 0.00 0.00 30.24 30.03 1stf n GLN 9 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1stf n LYS 10 N -1.84 3.24 -1.09 -1.09 5.02 -0.87 -4.93 118.16 116.60 1stf n LYS 10 Ca 0.02 -3.00 -0.03 0.00 -2.02 0.00 0.00 58.31 53.29 1stf n LYS 10 Cb 0.17 -1.99 -0.01 0.00 -0.02 0.00 0.00 35.03 33.18 1stf n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1stf n GLY 11 N -0.36 0.56 0.65 0.72 0.00 0.30 -4.90 105.19 102.17 1stf n GLY 11 Ca 0.28 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1stf n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1stf n ALA 12 N 1.06 2.53 -3.59 4.61 0.00 0.08 -4.76 120.51 120.44 1stf n ALA 12 Ca -0.03 -0.53 -0.28 0.00 0.00 0.00 0.00 53.44 52.59 1stf n ALA 12 Cb 0.25 -1.04 -0.17 0.00 0.00 0.00 0.00 19.45 18.49 1stf n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1stf s VAL 13 N -1.99 1.46 0.71 0.00 1.01 -1.25 -3.91 120.40 116.43 1stf s VAL 13 Ca 0.35 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1stf s VAL 13 Cb 0.21 -1.33 0.07 0.00 0.00 0.00 0.00 36.38 35.33 1stf s VAL 13 CO 0.32 0.43 1.02 0.42 0.00 0.00 0.00 175.10 177.29 1stf s THR 14 N 0.89 2.27 0.85 3.92 -4.23 -1.26 -4.91 115.64 113.17 1stf s THR 14 Ca -0.09 -0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.02 1stf s THR 14 Cb -0.15 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.82 1stf s THR 14 CO 0.00 0.00 1.15 -2.84 -0.54 0.00 0.00 174.62 172.39 1stf s PRO 15 N -5.25 1.45 0.15 3.99 0.02 -1.26 -4.95 135.00 129.15 1stf s PRO 15 Ca 0.61 1.53 -0.31 0.00 0.02 0.00 0.00 61.00 62.84 1stf s PRO 15 Cb -0.10 -1.78 -0.09 0.00 0.02 0.00 0.00 34.50 32.55 1stf s PRO 15 CO 0.45 -2.31 1.51 0.08 -0.33 0.00 0.00 177.00 176.41 1stf s VAL 16 N -2.56 2.84 0.54 3.83 1.01 -1.26 -5.04 120.40 119.76 1stf s VAL 16 Ca 0.67 0.60 0.05 0.00 0.00 0.00 0.00 61.98 63.30 1stf s VAL 16 Cb -0.23 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1stf s VAL 16 CO 0.55 0.05 0.39 -0.54 0.00 0.00 0.00 175.10 175.54 1stf s LYS 17 N 1.16 2.26 -0.06 2.72 -0.14 -1.26 -4.78 119.74 119.64 1stf s LYS 17 Ca 0.68 -2.01 -0.02 0.00 -1.36 0.00 0.00 55.97 53.26 1stf s LYS 17 Cb -0.42 -2.09 0.03 0.00 -1.68 0.00 0.00 37.83 33.68 1stf s LYS 17 CO 0.31 -0.59 0.03 1.21 -0.76 0.00 0.00 175.35 175.55 1stf s ASN 18 N -4.26 1.35 0.21 2.83 3.84 -1.26 -1.31 114.94 116.34 1stf s ASN 18 Ca 0.34 -0.01 0.26 0.00 0.21 0.00 0.00 52.86 53.65 1stf s ASN 18 Cb -0.02 -0.31 0.75 0.00 -0.55 0.00 0.00 41.25 41.12 1stf s ASN 18 CO 0.21 -0.21 1.72 0.00 -2.79 0.00 0.00 177.10 176.03 1stf n GLN 19 N 5.16 0.27 0.00 0.43 10.64 -0.68 -4.96 117.38 128.24 1stf n GLN 19 Ca -0.06 0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 1stf n GLN 19 Cb 0.50 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 28.08 1stf n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1stf n GLY 20 N 1.31 1.48 1.47 2.61 0.00 -1.26 -3.63 105.19 107.17 1stf n GLY 20 Ca 0.05 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.52 1stf n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1stf n SER 21 N 3.38 4.41 -4.88 1.61 3.41 -1.26 -4.90 113.62 115.40 1stf n SER 21 Ca 0.00 -2.27 -0.37 0.00 -0.26 0.00 0.00 58.87 55.98 1stf n SER 21 Cb 0.00 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 1stf n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1stf n GLY 23 N 1.83 3.81 3.20 0.00 0.00 -0.50 -4.94 105.19 108.60 1stf n GLY 23 Ca -0.18 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 1stf n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1stf s SER 24 N 2.34 5.67 0.00 1.61 1.04 -1.26 -3.29 113.70 119.81 1stf s SER 24 Ca 0.64 -2.04 0.00 0.00 0.48 0.00 0.00 55.95 55.03 1stf s SER 24 Cb 0.19 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.32 1stf s SER 24 CO -0.04 -0.65 0.00 -2.67 0.98 0.00 0.00 173.24 170.86 1stf n TRP 26 N 4.71 0.00 -0.05 5.02 4.27 -1.26 -2.19 117.44 127.94 1stf n TRP 26 Ca -0.05 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.43 1stf n TRP 26 Cb 0.41 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.29 1stf n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1stf h ALA 27 N 0.00 0.19 -0.18 -1.67 0.00 -1.91 -2.55 119.26 113.15 1stf h ALA 27 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1stf h ALA 27 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1stf h ALA 27 CO 0.00 -0.00 0.07 0.74 0.00 0.00 0.00 179.25 180.06 1stf h PHE 28 N -0.06 0.28 -0.31 0.00 -1.00 -1.76 -2.06 116.94 112.02 1stf h PHE 28 Ca 0.03 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.81 1stf h PHE 28 Cb 0.56 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.01 1stf h PHE 28 CO 0.07 0.34 0.15 1.03 -1.61 0.00 0.00 178.31 178.30 1stf h SER 29 N 0.13 0.23 -0.03 2.17 0.87 -1.79 -2.78 113.55 112.35 1stf h SER 29 Ca 0.06 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1stf h SER 29 Cb 0.18 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1stf h SER 29 CO -0.00 0.17 -0.08 0.00 -0.53 0.00 0.00 176.83 176.39 1stf h ALA 30 N 1.16 -0.06 -0.88 6.23 0.00 -1.31 -2.91 119.26 121.48 1stf h ALA 30 Ca 0.13 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1stf h ALA 30 Cb 0.04 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1stf h ALA 30 CO -0.09 -0.56 0.57 0.28 0.00 0.00 0.00 179.25 179.45 1stf h VAL 31 N -0.13 0.84 -0.57 0.00 2.07 -1.23 -1.34 116.25 115.89 1stf h VAL 31 Ca 0.04 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1stf h VAL 31 Cb 0.18 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1stf h VAL 31 CO -0.11 0.13 -0.04 0.58 0.02 0.00 0.00 177.57 178.15 1stf h VAL 32 N 0.69 1.26 -0.15 2.57 2.07 -1.30 -0.06 116.25 121.33 1stf h VAL 32 Ca 0.44 -1.18 -0.15 0.00 0.82 0.00 0.00 66.70 66.64 1stf h VAL 32 Cb 0.70 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1stf h VAL 32 CO -0.20 0.42 -0.53 0.71 0.02 0.00 0.00 177.57 178.00 1stf h THR 33 N 0.93 1.33 0.12 2.57 1.35 -1.23 -1.27 112.91 116.71 1stf h THR 33 Ca 0.16 -1.78 -0.01 0.00 -0.55 0.00 0.00 66.41 64.23 1stf h THR 33 Cb 0.59 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1stf h THR 33 CO 0.04 0.54 -0.06 0.40 -0.25 0.00 0.00 175.52 176.19 1stf h ILE 34 N 0.34 0.92 -0.48 6.82 1.08 -0.96 0.48 117.51 125.72 1stf h ILE 34 Ca 0.01 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1stf h ILE 34 Cb 1.04 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 1stf h ILE 34 CO 0.09 0.04 0.30 -0.33 -0.69 0.00 0.00 178.15 177.56 1stf h GLU 35 N -0.24 0.63 0.20 2.37 5.08 -0.89 -2.13 114.58 119.60 1stf h GLU 35 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1stf h GLU 35 Cb 0.19 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1stf h GLU 35 CO 0.03 0.43 -0.10 0.78 -1.00 0.00 0.00 179.01 179.15 1stf h GLY 36 N 0.67 -0.28 1.50 -3.84 0.00 -0.95 -2.58 103.07 97.60 1stf h GLY 36 Ca 0.17 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.62 1stf h GLY 36 CO -0.03 -0.10 0.32 1.19 0.00 0.00 0.00 176.54 177.91 1stf h ILE 37 N -0.89 1.11 -0.24 2.60 6.09 -0.68 -1.78 117.51 123.72 1stf h ILE 37 Ca -0.03 -0.21 -0.19 0.00 -1.37 0.00 0.00 64.86 63.06 1stf h ILE 37 Cb 0.51 0.43 0.00 0.00 0.47 0.00 0.00 36.82 38.23 1stf h ILE 37 CO 0.05 0.11 -0.60 0.40 -3.07 0.00 0.00 178.15 175.04 1stf h ILE 38 N 0.62 1.28 -0.32 2.19 1.08 -1.45 0.21 117.51 121.13 1stf h ILE 38 Ca 0.18 -1.80 -0.04 0.00 -0.39 0.00 0.00 64.86 62.81 1stf h ILE 38 Cb -0.03 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1stf h ILE 38 CO -0.04 0.58 0.06 0.50 -0.69 0.00 0.00 178.15 178.56 1stf h LYS 39 N 0.60 0.53 -0.53 2.37 3.11 -1.18 0.23 116.57 121.70 1stf h LYS 39 Ca -0.00 -0.14 -0.01 0.00 -2.81 0.00 0.00 60.65 57.69 1stf h LYS 39 Cb 1.21 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.35 1stf h LYS 39 CO 0.13 0.61 0.27 0.82 -2.81 0.00 0.00 179.45 178.47 1stf h ILE 40 N 0.36 1.17 0.06 2.00 2.04 -1.14 0.16 117.51 122.16 1stf h ILE 40 Ca 0.10 -0.46 -0.31 0.00 1.00 0.00 0.00 64.86 65.19 1stf h ILE 40 Cb 0.34 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1stf h ILE 40 CO 0.01 0.19 -1.70 0.03 0.00 0.00 0.00 178.15 176.68 1stf h ARG 41 N 0.74 0.12 0.00 2.37 2.47 -0.61 -3.40 114.38 116.07 1stf h ARG 41 Ca 0.19 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1stf h ARG 41 Cb 0.05 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1stf h ARG 41 CO -0.03 0.85 -0.95 0.25 0.56 0.00 0.00 179.97 180.65 1stf n THR 42 N -3.27 0.00 -0.60 2.04 -2.24 0.78 -4.97 114.28 106.02 1stf n THR 42 Ca -0.19 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1stf n THR 42 Cb 1.04 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1stf n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1stf n GLY 43 N 1.56 0.87 3.37 3.38 0.00 0.55 -5.03 105.19 109.88 1stf n GLY 43 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1stf n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1stf s ASN 44 N -3.01 3.82 -0.42 1.61 0.02 -1.23 -4.99 114.94 110.73 1stf s ASN 44 Ca 0.00 -0.34 -0.13 0.00 -1.02 0.00 0.00 52.86 51.38 1stf s ASN 44 Cb 0.00 -1.32 0.05 0.00 0.02 0.00 0.00 41.25 40.01 1stf s ASN 44 CO 0.00 0.22 0.30 -0.22 0.02 0.00 0.00 177.10 177.41 1stf s LEU 45 N 0.03 5.19 0.34 0.60 2.96 -1.26 -2.97 118.68 123.56 1stf s LEU 45 Ca -0.05 -1.21 0.09 0.00 -0.22 0.00 0.00 54.13 52.73 1stf s LEU 45 Cb -0.15 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1stf s LEU 45 CO 0.05 -0.52 0.02 0.20 -1.32 0.00 0.00 176.35 174.78 1stf s ASN 46 N 2.05 4.21 -0.20 3.68 0.01 -1.26 -5.09 114.94 118.34 1stf s ASN 46 Ca 0.03 -0.98 -0.06 0.00 -0.71 0.00 0.00 52.86 51.13 1stf s ASN 46 Cb -0.22 -0.54 -0.03 0.00 0.41 0.00 0.00 41.25 40.87 1stf s ASN 46 CO 0.06 -0.25 0.04 -1.10 -1.51 0.00 0.00 177.10 174.34 1stf s GLN 47 N -3.73 3.78 0.22 -0.60 -0.21 -1.26 -4.73 119.66 113.13 1stf s GLN 47 Ca 0.35 -0.44 0.07 0.00 0.02 0.00 0.00 55.36 55.36 1stf s GLN 47 Cb -0.00 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 30.79 1stf s GLN 47 CO 0.20 0.08 0.13 0.71 -2.12 0.00 0.00 175.29 174.29 1stf s TYR 48 N 0.86 3.04 -0.40 0.91 2.02 -1.26 -0.65 117.35 121.87 1stf s TYR 48 Ca 0.03 -0.10 -0.29 0.00 -0.37 0.00 0.00 57.07 56.33 1stf s TYR 48 Cb -0.14 -1.40 0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1stf s TYR 48 CO 0.02 0.53 1.19 0.45 -1.57 0.00 0.00 175.55 176.17 1stf s SER 49 N -3.53 6.67 0.25 2.29 0.15 -0.93 -4.21 113.70 114.39 1stf s SER 49 Ca 0.32 0.79 -0.00 0.00 0.70 0.00 0.00 55.95 57.75 1stf s SER 49 Cb -0.08 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 62.00 1stf s SER 49 CO 0.23 -1.16 1.69 -0.33 1.20 0.00 0.00 173.24 174.88 1stf h GLU 50 N 9.15 0.61 -0.02 5.44 3.07 -1.87 -3.20 114.58 127.76 1stf h GLU 50 Ca -0.23 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 58.33 1stf h GLU 50 Cb 1.07 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1stf h GLU 50 CO 1.08 0.79 -0.29 0.37 -1.40 0.00 0.00 179.01 179.56 1stf h GLN 51 N 0.54 0.03 -0.51 2.33 5.75 -1.86 -2.20 115.11 119.19 1stf h GLN 51 Ca 0.08 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 1stf h GLN 51 Cb 0.68 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 1stf h GLN 51 CO 0.05 0.32 0.04 1.49 -2.65 0.00 0.00 178.83 178.08 1stf h GLU 52 N 0.02 0.87 -0.37 1.69 4.81 -1.80 -0.96 114.58 118.85 1stf h GLU 52 Ca 0.00 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 58.87 1stf h GLU 52 Cb 0.53 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1stf h GLU 52 CO 0.04 0.88 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.93 1stf h LEU 53 N 0.74 0.70 0.05 1.64 3.38 -1.54 0.30 115.31 120.59 1stf h LEU 53 Ca 0.15 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1stf h LEU 53 Cb 0.46 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1stf h LEU 53 CO 0.02 0.89 -0.05 0.25 0.09 0.00 0.00 178.44 179.65 1stf h LEU 54 N 0.62 -0.12 -0.86 1.67 5.85 -1.08 0.34 115.31 121.72 1stf h LEU 54 Ca 0.09 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 1stf h LEU 54 Cb 0.67 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1stf h LEU 54 CO 0.05 -0.07 -0.26 0.44 -0.34 0.00 0.00 178.44 178.25 1stf h ASP 55 N -0.11 0.55 0.00 1.25 3.32 -1.13 -3.39 116.42 116.91 1stf h ASP 55 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1stf h ASP 55 Cb 0.10 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1stf h ASP 55 CO -0.01 0.80 -1.55 0.00 -1.72 0.00 0.00 179.24 176.76 1stf s ASP 57 N -3.53 6.59 0.00 0.00 -1.08 0.08 -4.86 116.67 113.87 1stf s ASP 57 Ca -0.04 0.37 0.19 0.00 -0.52 0.00 0.00 52.55 52.56 1stf s ASP 57 Cb 0.10 -2.54 0.67 0.00 -1.46 0.00 0.00 42.92 39.68 1stf s ASP 57 CO 0.61 -1.27 1.50 -2.11 0.52 0.00 0.00 175.17 174.42 1stf n ARG 58 N 7.86 1.78 0.01 4.34 1.85 -1.26 -2.98 116.66 128.26 1stf n ARG 58 Ca 0.11 -1.18 0.11 0.00 -1.00 0.00 0.00 57.85 55.89 1stf n ARG 58 Cb 0.49 -1.38 0.05 0.00 -1.05 0.00 0.00 32.46 30.57 1stf n ARG 58 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1stf n ARG 59 N 0.41 0.14 -3.69 2.89 1.74 -1.26 -4.91 116.66 111.98 1stf n ARG 59 Ca 0.16 -0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.02 1stf n ARG 59 Cb 0.34 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 1stf n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1stf s SER 60 N -3.43 5.09 -0.32 0.55 0.01 -1.16 -4.83 113.70 109.61 1stf s SER 60 Ca 0.07 -0.68 0.07 0.00 1.31 0.00 0.00 55.95 56.72 1stf s SER 60 Cb 0.16 -0.71 0.46 0.00 0.21 0.00 0.00 66.02 66.14 1stf s SER 60 CO 0.79 -0.53 1.33 -1.22 0.41 0.00 0.00 173.24 174.01 1stf n TYR 61 N -1.46 2.16 0.00 2.43 4.01 -0.24 -4.97 117.16 119.09 1stf n TYR 61 Ca 0.01 -2.12 0.00 0.00 -0.16 0.00 0.00 57.90 55.63 1stf n TYR 61 Cb 0.61 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1stf n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1stf n GLY 62 N -0.85 4.02 0.09 2.72 0.00 -1.24 -1.75 105.19 108.17 1stf n GLY 62 Ca 0.41 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.62 1stf n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1stf n ASN 64 N -0.88 4.76 0.00 0.00 5.15 -0.72 -1.41 115.26 122.17 1stf n ASN 64 Ca 0.20 -2.60 0.00 0.00 -0.60 0.00 0.00 54.58 51.58 1stf n ASN 64 Cb 0.20 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 1stf n ASN 64 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1stf n GLY 65 N 0.84 2.05 0.00 8.20 0.00 -1.20 -4.84 105.19 110.23 1stf n GLY 65 Ca 0.24 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1stf n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1stf n GLY 66 N 0.56 -1.45 3.29 -0.02 0.00 -1.26 -1.08 105.19 105.22 1stf n GLY 66 Ca 0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1stf n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1stf s TYR 67 N -2.92 2.66 0.44 1.61 1.51 -1.26 -4.82 117.35 114.56 1stf s TYR 67 Ca 0.00 -0.86 0.13 0.00 -1.01 0.00 0.00 57.07 55.33 1stf s TYR 67 Cb 0.00 -1.76 0.97 0.00 -0.11 0.00 0.00 41.96 41.06 1stf s TYR 67 CO 0.00 -0.32 1.99 -1.35 -1.11 0.00 0.00 175.55 174.76 1stf h PRO 68 N 6.66 0.05 -0.28 -1.71 0.11 -1.99 -2.25 132.00 132.58 1stf h PRO 68 Ca -0.23 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.77 1stf h PRO 68 Cb 1.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1stf h PRO 68 CO 0.50 0.21 -0.23 0.11 -0.21 0.00 0.00 178.00 178.39 1stf h TRP 69 N 0.05 0.77 0.00 0.65 0.09 -1.95 -0.41 115.95 115.15 1stf h TRP 69 Ca 0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 58.89 58.72 1stf h TRP 69 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 29.16 29.38 1stf h TRP 69 CO 0.00 0.94 -0.23 0.66 0.09 0.00 0.00 178.44 179.90 1stf h SER 70 N 0.39 0.00 0.29 0.11 4.64 -1.92 -0.90 113.55 116.17 1stf h SER 70 Ca 0.05 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 1stf h SER 70 Cb 0.78 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1stf h SER 70 CO 0.06 0.23 -0.83 0.00 -0.87 0.00 0.00 176.83 175.41 1stf h ALA 71 N 1.77 0.48 0.00 5.18 0.00 -1.32 -1.85 119.26 123.52 1stf h ALA 71 Ca -0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 1stf h ALA 71 Cb 0.97 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1stf h ALA 71 CO 0.03 0.79 -0.54 -0.07 0.00 0.00 0.00 179.25 179.46 1stf h LEU 72 N 0.26 0.00 -0.26 0.00 3.38 -0.44 -3.12 115.31 115.12 1stf h LEU 72 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1stf h LEU 72 Cb 1.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1stf h LEU 72 CO 0.14 0.54 -0.12 1.56 0.09 0.00 0.00 178.44 180.65 1stf h GLN 73 N 0.00 0.54 -0.77 1.13 1.08 -1.10 -2.58 115.11 113.41 1stf h GLN 73 Ca -0.01 -0.24 0.14 0.00 -1.45 0.00 0.00 58.65 57.09 1stf h GLN 73 Cb 1.04 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 28.36 1stf h GLN 73 CO 0.07 0.79 0.35 1.25 -0.95 0.00 0.00 178.83 180.34 1stf h LEU 74 N 0.27 0.38 -0.96 1.46 5.85 -1.27 0.29 115.31 121.33 1stf h LEU 74 Ca 0.06 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1stf h LEU 74 Cb 0.63 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1stf h LEU 74 CO 0.04 0.16 -0.24 0.58 -0.34 0.00 0.00 178.44 178.63 1stf h VAL 75 N 0.52 0.56 0.00 1.05 2.07 -1.55 -0.40 116.25 118.50 1stf h VAL 75 Ca 0.42 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1stf h VAL 75 Cb 0.60 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1stf h VAL 75 CO -0.37 0.24 -0.62 0.00 0.02 0.00 0.00 177.57 176.84 1stf n ALA 76 N -2.22 2.94 -0.08 1.67 0.00 -0.40 -2.71 120.51 119.71 1stf n ALA 76 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 1stf n ALA 76 Cb 0.47 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 1stf n ALA 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1stf n GLN 77 N -2.09 0.68 0.00 0.00 6.02 -0.04 -4.76 117.38 117.18 1stf n GLN 77 Ca 0.03 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1stf n GLN 77 Cb 0.44 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1stf n GLN 77 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1stf n TYR 78 N -3.16 0.00 -2.83 1.08 4.01 -0.20 -5.09 117.16 110.97 1stf n TYR 78 Ca -0.35 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 1stf n TYR 78 Cb 1.05 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 1stf n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1stf n GLY 79 N 3.63 -0.73 3.02 2.72 0.00 -1.20 -4.83 105.19 107.81 1stf n GLY 79 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 1stf n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1stf s ILE 80 N -2.70 0.06 0.66 -0.61 2.07 0.18 -4.41 121.20 116.44 1stf s ILE 80 Ca 0.00 -0.48 -0.08 0.00 -1.41 0.00 0.00 60.65 58.68 1stf s ILE 80 Cb 0.00 -0.28 0.03 0.00 0.13 0.00 0.00 42.46 42.34 1stf s ILE 80 CO 0.00 -0.26 1.00 -1.00 -1.91 0.00 0.00 174.94 172.76 1stf s HIS 81 N -0.84 3.18 0.48 3.50 3.76 -1.26 -0.82 115.29 123.28 1stf s HIS 81 Ca -0.09 0.71 -0.20 0.00 -0.15 0.00 0.00 55.06 55.32 1stf s HIS 81 Cb -0.06 -2.98 -0.08 0.00 1.11 0.00 0.00 32.58 30.57 1stf s HIS 81 CO 0.00 -1.11 1.05 0.71 -0.85 0.00 0.00 174.74 174.54 1stf s TYR 82 N -3.18 2.98 0.26 1.40 2.02 -1.26 -2.20 117.35 117.36 1stf s TYR 82 Ca 0.57 1.58 -0.05 0.00 -0.37 0.00 0.00 57.07 58.79 1stf s TYR 82 Cb -0.11 -3.09 0.29 0.00 -0.40 0.00 0.00 41.96 38.65 1stf s TYR 82 CO 0.47 -0.89 1.92 -0.09 -1.57 0.00 0.00 175.55 175.38 1stf h ARG 83 N 1.60 1.25 0.00 -0.62 2.43 -1.05 -0.86 114.38 117.13 1stf h ARG 83 Ca -0.49 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 58.54 1stf h ARG 83 Cb 1.22 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1stf h ARG 83 CO 0.59 0.85 -0.16 -2.95 -1.51 0.00 0.00 179.97 176.79 1stf h ASN 84 N 1.27 0.00 0.50 -3.80 -1.07 -1.93 -1.72 115.58 108.84 1stf h ASN 84 Ca 0.34 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.41 1stf h ASN 84 Cb -0.09 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.16 1stf h ASN 84 CO -0.07 0.16 -1.39 0.74 0.07 0.00 0.00 177.43 176.95 1stf h THR 85 N 0.00 1.34 -2.34 6.14 2.02 -1.70 -3.39 112.91 114.98 1stf h THR 85 Ca -0.00 -2.90 -0.59 0.00 0.77 0.00 0.00 66.41 63.69 1stf h THR 85 Cb 0.30 2.90 -0.40 0.00 -1.74 0.00 0.00 68.15 69.22 1stf h THR 85 CO 0.02 0.86 -0.90 0.00 0.37 0.00 0.00 175.52 175.86 1stf n TYR 86 N -3.54 0.56 -2.16 3.16 4.19 -0.42 -5.01 117.16 113.93 1stf n TYR 86 Ca -0.13 -3.67 -0.33 0.00 3.31 0.00 0.00 57.90 57.08 1stf n TYR 86 Cb 1.05 -0.19 0.00 0.00 0.49 0.00 0.00 39.34 40.69 1stf n TYR 86 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1stf s PRO 87 N -0.95 3.41 0.06 2.98 0.04 -0.72 -4.47 135.00 135.37 1stf s PRO 87 Ca 0.33 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.33 1stf s PRO 87 Cb 0.08 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1stf s PRO 87 CO -0.14 -0.74 1.40 -0.47 0.04 0.00 0.00 177.00 177.09 1stf s TYR 88 N -2.31 3.04 -0.15 0.56 5.04 -1.26 -4.76 117.35 117.52 1stf s TYR 88 Ca 0.65 0.88 0.06 0.00 -2.44 0.00 0.00 57.07 56.22 1stf s TYR 88 Cb -0.17 -3.68 -0.09 0.00 0.35 0.00 0.00 41.96 38.38 1stf s TYR 88 CO 0.33 -2.44 0.20 0.39 -1.34 0.00 0.00 175.55 172.69 1stf n GLU 89 N 4.64 2.44 -0.98 4.97 1.02 -1.26 -5.02 120.64 126.45 1stf n GLU 89 Ca 0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1stf n GLU 89 Cb 0.43 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1stf n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1stf n GLY 90 N 1.66 0.47 3.23 0.62 0.00 -1.26 -4.99 105.19 104.92 1stf n GLY 90 Ca -0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1stf n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1stf s VAL 91 N -2.00 0.01 -0.06 1.61 0.11 -1.26 -4.40 120.40 114.41 1stf s VAL 91 Ca 0.00 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 1stf s VAL 91 Cb 0.00 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1stf s VAL 91 CO 0.00 -0.05 1.24 -1.58 -3.33 0.00 0.00 175.10 171.39 1stf s GLN 92 N -0.08 4.32 0.00 1.54 0.74 -1.26 -4.95 119.66 119.97 1stf s GLN 92 Ca -0.02 1.72 0.00 0.00 0.05 0.00 0.00 55.36 57.10 1stf s GLN 92 Cb -0.03 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.49 1stf s GLN 92 CO 0.01 -0.50 0.00 0.54 -0.55 0.00 0.00 175.29 174.79 1stf n ARG 93 N 5.43 2.71 -1.52 1.67 1.74 -1.26 -5.04 116.66 120.39 1stf n ARG 93 Ca 0.12 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 1stf n ARG 93 Cb 0.46 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.96 1stf n ARG 93 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1stf s TYR 94 N 0.55 2.77 -0.30 -1.55 1.13 -1.26 -4.62 117.35 114.07 1stf s TYR 94 Ca 0.00 1.52 -0.29 0.00 -1.41 0.00 0.00 57.07 56.89 1stf s TYR 94 Cb 0.00 -3.02 0.01 0.00 -1.10 0.00 0.00 41.96 37.85 1stf s TYR 94 CO 0.00 -1.56 1.15 0.00 -2.51 0.00 0.00 175.55 172.64 1stf n ARG 96 N 6.95 3.58 -0.01 0.00 1.74 -1.26 -4.69 116.66 122.96 1stf n ARG 96 Ca 0.13 -2.83 -0.09 0.00 -0.77 0.00 0.00 57.85 54.29 1stf n ARG 96 Cb 0.47 -1.88 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1stf n ARG 96 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1stf h SER 97 N 2.88 -0.55 0.19 0.55 0.02 -1.96 -2.80 113.55 111.87 1stf h SER 97 Ca 0.00 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1stf h SER 97 Cb 1.48 0.26 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 1stf h SER 97 CO 0.26 -0.22 -0.03 0.03 -1.14 0.00 0.00 176.83 175.73 1stf h ARG 98 N -0.21 0.00 -0.57 3.45 3.08 -1.85 -0.18 114.38 118.10 1stf h ARG 98 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1stf h ARG 98 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1stf h ARG 98 CO -0.28 0.03 0.01 -0.85 -1.07 0.00 0.00 179.97 177.81 1stf n GLU 99 N -3.46 4.78 -0.12 0.04 0.28 -1.06 -3.73 120.64 117.36 1stf n GLU 99 Ca -0.02 -3.16 0.10 0.00 -0.16 0.00 0.00 57.16 53.92 1stf n GLU 99 Cb 0.14 -2.25 0.15 0.00 1.43 0.00 0.00 31.44 30.91 1stf n GLU 99 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1stf n LYS 100 N 0.53 1.40 0.00 3.44 5.02 -0.08 -5.10 118.16 123.36 1stf n LYS 100 Ca 0.28 -2.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.94 1stf n LYS 100 Cb 1.20 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 1stf n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1stf n GLY 101 N -1.37 0.21 3.79 0.72 0.00 -1.24 -4.85 105.19 102.45 1stf n GLY 101 Ca 0.17 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1stf n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1stf s PRO 102 N 0.00 3.72 0.31 1.61 0.04 -1.26 -4.76 135.00 134.66 1stf s PRO 102 Ca 0.00 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 1stf s PRO 102 Cb 0.00 -2.08 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 1stf s PRO 102 CO 0.00 -0.50 1.29 0.66 0.04 0.00 0.00 177.00 178.49 1stf n TYR 103 N -1.02 2.14 0.09 0.56 4.01 -1.26 -4.90 117.16 116.78 1stf n TYR 103 Ca 0.10 0.54 -0.02 0.00 -0.16 0.00 0.00 57.90 58.35 1stf n TYR 103 Cb 0.52 -2.41 0.21 0.00 -0.31 0.00 0.00 39.34 37.35 1stf n TYR 103 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1stf h ALA 104 N 2.95 1.08 -2.99 -0.72 0.00 -1.30 -3.47 119.26 114.81 1stf h ALA 104 Ca -0.45 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.05 1stf h ALA 104 Cb 1.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1stf h ALA 104 CO 0.66 0.60 0.26 0.00 0.00 0.00 0.00 179.25 180.78 1stf s ALA 105 N -4.12 -0.91 0.08 0.00 0.00 -0.81 -5.02 121.76 111.00 1stf s ALA 105 Ca -0.05 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1stf s ALA 105 Cb 0.13 0.73 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1stf s ALA 105 CO 0.78 -1.00 0.39 0.21 0.00 0.00 0.00 175.76 176.13 1stf s LYS 106 N -2.81 0.98 0.36 0.00 2.20 -1.26 -0.65 119.74 118.56 1stf s LYS 106 Ca 0.14 -0.56 0.08 0.00 -0.36 0.00 0.00 55.97 55.27 1stf s LYS 106 Cb -0.05 0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 36.66 1stf s LYS 106 CO 0.10 -0.36 0.13 0.95 -0.36 0.00 0.00 175.35 175.81 1stf s THR 107 N -3.18 2.82 0.08 3.43 -4.23 -1.10 -5.03 115.64 108.43 1stf s THR 107 Ca -0.01 -1.73 0.05 0.00 -1.18 0.00 0.00 61.69 58.82 1stf s THR 107 Cb 0.01 -2.95 -0.23 0.00 1.34 0.00 0.00 72.50 70.67 1stf s THR 107 CO -0.07 -0.15 1.15 0.44 -0.54 0.00 0.00 174.62 175.44 1stf h ASP 108 N 1.56 0.10 -0.02 3.99 3.32 -0.90 -3.39 116.42 121.08 1stf h ASP 108 Ca -0.43 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1stf h ASP 108 Cb 1.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1stf h ASP 108 CO 0.65 1.10 0.00 0.61 -1.72 0.00 0.00 179.24 179.88 1stf n GLY 109 N 1.43 0.82 3.03 2.75 0.00 -0.98 -4.92 105.19 107.32 1stf n GLY 109 Ca -0.05 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 1stf n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1stf s VAL 110 N -2.09 0.93 0.26 1.61 1.01 -1.26 -0.54 120.40 120.33 1stf s VAL 110 Ca 0.00 -0.43 0.11 0.00 0.00 0.00 0.00 61.98 61.66 1stf s VAL 110 Cb 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1stf s VAL 110 CO 0.00 0.29 -0.16 -0.13 0.00 0.00 0.00 175.10 175.09 1stf s ARG 111 N 0.22 1.79 -0.16 2.72 0.52 0.13 -4.88 118.95 119.28 1stf s ARG 111 Ca -0.04 -1.66 -0.05 0.00 -0.52 0.00 0.00 55.73 53.45 1stf s ARG 111 Cb -0.10 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1stf s ARG 111 CO 0.01 0.35 0.02 -1.14 0.02 0.00 0.00 175.30 174.56 1stf s GLN 112 N -3.43 3.76 0.39 3.54 0.74 -1.26 0.04 119.66 123.44 1stf s GLN 112 Ca 0.29 -0.41 -0.25 0.00 0.05 0.00 0.00 55.36 55.05 1stf s GLN 112 Cb -0.06 -3.06 -0.09 0.00 1.10 0.00 0.00 33.01 30.90 1stf s GLN 112 CO 0.15 0.32 1.07 0.08 -0.55 0.00 0.00 175.29 176.36 1stf s VAL 113 N 0.21 3.63 -0.11 1.34 1.01 0.17 -4.95 120.40 121.70 1stf s VAL 113 Ca 0.02 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 1stf s VAL 113 Cb -0.13 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 1stf s VAL 113 CO 0.01 0.05 2.09 1.67 0.00 0.00 0.00 175.10 178.92 1stf n GLN 114 N 0.06 2.28 -1.13 2.72 7.27 -1.26 -4.65 117.38 122.67 1stf n GLN 114 Ca 0.04 0.75 -0.30 0.00 0.07 0.00 0.00 57.00 57.56 1stf n GLN 114 Cb 0.49 -3.03 0.12 0.00 2.41 0.00 0.00 30.24 30.23 1stf n GLN 114 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1stf s PRO 115 N 5.35 1.62 -1.56 3.69 0.04 -1.26 -3.80 135.00 139.08 1stf s PRO 115 Ca 0.96 1.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 1stf s PRO 115 Cb -0.45 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1stf s PRO 115 CO 0.41 -2.07 0.20 0.66 0.04 0.00 0.00 177.00 176.24 1stf n TYR 116 N -3.80 -1.40 -3.57 0.56 4.01 0.16 -4.95 117.16 108.17 1stf n TYR 116 Ca 0.09 0.17 -0.28 0.00 -0.16 0.00 0.00 57.90 57.72 1stf n TYR 116 Cb 0.54 -3.83 -0.16 0.00 -0.31 0.00 0.00 39.34 35.58 1stf n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1stf s ASN 117 N -2.27 3.17 0.18 7.72 3.84 -1.25 -4.87 114.94 121.47 1stf s ASN 117 Ca 0.11 -1.08 -0.13 0.00 0.21 0.00 0.00 52.86 51.96 1stf s ASN 117 Cb -0.05 -0.34 0.09 0.00 -0.55 0.00 0.00 41.25 40.40 1stf s ASN 117 CO 0.14 -0.41 1.85 -0.61 -2.79 0.00 0.00 177.10 175.27 1stf h GLN 118 N 8.40 0.75 -0.50 0.43 4.15 -1.89 -1.83 115.11 124.62 1stf h GLN 118 Ca -0.18 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.12 1stf h GLN 118 Cb 1.06 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 1stf h GLN 118 CO 0.39 0.50 0.02 0.78 -1.93 0.00 0.00 178.83 178.59 1stf h GLY 119 N 0.78 0.93 0.60 2.39 0.00 -1.96 -1.30 103.07 104.50 1stf h GLY 119 Ca 0.21 -0.67 0.06 0.00 0.00 0.00 0.00 47.33 46.93 1stf h GLY 119 CO -0.05 0.62 0.21 0.00 0.00 0.00 0.00 176.54 177.33 1stf h ALA 120 N 0.94 0.64 -0.47 3.60 0.00 -1.85 0.07 119.26 122.20 1stf h ALA 120 Ca 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1stf h ALA 120 Cb 0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1stf h ALA 120 CO 0.02 -0.17 0.14 1.25 0.00 0.00 0.00 179.25 180.50 1stf h LEU 121 N 0.41 0.68 -0.85 0.00 5.85 -1.02 -2.88 115.31 117.50 1stf h LEU 121 Ca 0.24 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1stf h LEU 121 Cb 0.22 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1stf h LEU 121 CO -0.21 0.71 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.99 1stf h LEU 122 N 0.62 0.10 -0.33 2.25 3.38 -0.07 -2.13 115.31 119.14 1stf h LEU 122 Ca 0.15 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1stf h LEU 122 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1stf h LEU 122 CO -0.00 0.62 0.02 0.22 0.09 0.00 0.00 178.44 179.39 1stf h TYR 123 N 0.07 0.62 -0.93 1.13 3.20 -0.89 -0.48 116.97 119.67 1stf h TYR 123 Ca -0.00 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.78 1stf h TYR 123 Cb 0.98 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 1stf h TYR 123 CO 0.01 0.67 0.61 0.77 -1.64 0.00 0.00 178.16 178.58 1stf h SER 124 N 0.38 1.08 0.46 -2.11 0.02 -1.37 -1.79 113.55 110.22 1stf h SER 124 Ca 0.10 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 1stf h SER 124 Cb 0.41 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1stf h SER 124 CO 0.01 0.79 -0.46 0.40 -1.14 0.00 0.00 176.83 176.43 1stf h ILE 125 N 1.27 1.33 0.00 3.27 2.04 -1.23 -0.59 117.51 123.60 1stf h ILE 125 Ca 0.34 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1stf h ILE 125 Cb -0.13 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1stf h ILE 125 CO -0.07 0.45 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1stf h ALA 126 N 1.54 1.00 0.10 1.87 0.00 -0.20 -3.15 119.26 120.42 1stf h ALA 126 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1stf h ALA 126 Cb 0.81 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1stf h ALA 126 CO 0.06 0.00 -1.95 0.09 0.00 0.00 0.00 179.25 177.45 1stf n ASN 127 N -2.99 1.84 -3.63 0.00 5.03 -0.31 -5.04 115.26 110.16 1stf n ASN 127 Ca -0.01 0.24 -0.00 0.00 0.87 0.00 0.00 54.58 55.68 1stf n ASN 127 Cb 0.20 -0.67 -0.01 0.00 -1.02 0.00 0.00 39.78 38.28 1stf n ASN 127 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1stf s GLN 128 N -2.57 0.50 0.21 3.52 -2.07 -0.73 -5.06 119.66 113.47 1stf s GLN 128 Ca -0.19 -0.26 -0.31 0.00 -1.82 0.00 0.00 55.36 52.78 1stf s GLN 128 Cb 0.07 0.18 -0.10 0.00 -1.09 0.00 0.00 33.01 32.06 1stf s GLN 128 CO 0.78 -0.23 1.52 -2.14 -1.32 0.00 0.00 175.29 173.90 1stf s PRO 129 N -2.55 4.23 0.10 9.60 0.02 -1.26 -3.94 135.00 141.20 1stf s PRO 129 Ca 0.13 2.36 0.09 0.00 0.02 0.00 0.00 61.00 63.60 1stf s PRO 129 Cb 0.03 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 1stf s PRO 129 CO -0.03 -0.53 -0.18 0.08 -0.33 0.00 0.00 177.00 176.00 1stf s VAL 130 N 0.55 2.85 -0.29 3.83 1.01 -0.86 -4.70 120.40 122.79 1stf s VAL 130 Ca 0.65 -1.44 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 1stf s VAL 130 Cb -0.43 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1stf s VAL 130 CO 0.38 0.14 0.60 -0.55 0.00 0.00 0.00 175.10 175.66 1stf s SER 131 N -2.03 6.48 0.21 3.32 0.15 -0.39 -0.25 113.70 121.19 1stf s SER 131 Ca 0.17 0.46 0.09 0.00 0.70 0.00 0.00 55.95 57.37 1stf s SER 131 Cb -0.11 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1stf s SER 131 CO 0.09 -0.42 -0.16 0.68 1.20 0.00 0.00 173.24 174.63 1stf s VAL 132 N 2.51 1.89 0.18 4.45 -7.23 -0.64 -1.60 120.40 119.97 1stf s VAL 132 Ca 0.24 -2.18 0.08 0.00 -1.81 0.00 0.00 61.98 58.31 1stf s VAL 132 Cb -0.15 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1stf s VAL 132 CO 0.11 -0.49 -0.04 0.68 -0.31 0.00 0.00 175.10 175.05 1stf s VAL 133 N -2.67 3.50 0.30 1.32 -7.23 -1.16 -0.68 120.40 113.78 1stf s VAL 133 Ca 0.22 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 58.81 1stf s VAL 133 Cb -0.03 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1stf s VAL 133 CO 0.08 -0.13 0.40 -1.48 -0.31 0.00 0.00 175.10 173.65 1stf s LEU 134 N -2.97 1.00 -0.43 1.32 0.05 0.19 -3.75 118.68 114.09 1stf s LEU 134 Ca 0.27 -1.41 -0.18 0.00 0.05 0.00 0.00 54.13 52.86 1stf s LEU 134 Cb -0.09 1.24 0.02 0.00 -2.05 0.00 0.00 46.19 45.31 1stf s LEU 134 CO 0.17 -1.17 0.50 -1.58 -0.55 0.00 0.00 176.35 173.72 1stf s GLN 135 N -3.44 3.14 0.00 1.48 0.74 0.14 -1.53 119.66 120.19 1stf s GLN 135 Ca 0.32 -0.67 0.12 0.00 0.05 0.00 0.00 55.36 55.18 1stf s GLN 135 Cb 0.01 -3.97 -0.05 0.00 1.10 0.00 0.00 33.01 30.11 1stf s GLN 135 CO 0.18 -0.91 0.65 0.00 -0.55 0.00 0.00 175.29 174.67 1stf n ALA 136 N 5.78 3.17 -0.20 1.58 0.00 -1.26 -4.66 120.51 124.92 1stf n ALA 136 Ca -0.06 -0.43 0.08 0.00 0.00 0.00 0.00 53.44 53.03 1stf n ALA 136 Cb 0.47 -0.44 0.36 0.00 0.00 0.00 0.00 19.45 19.84 1stf n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1stf h ALA 137 N 2.02 1.74 -3.00 0.00 0.00 -1.91 -3.40 119.26 114.72 1stf h ALA 137 Ca 0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.33 1stf h ALA 137 Cb 0.38 -0.18 0.16 0.00 0.00 0.00 0.00 17.79 18.15 1stf h ALA 137 CO 0.00 0.12 0.42 0.41 0.00 0.00 0.00 179.25 180.20 1stf n GLY 138 N -1.45 0.35 0.18 0.00 0.00 -1.26 -4.91 105.19 98.11 1stf n GLY 138 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 1stf n GLY 138 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1stf h LYS 139 N 0.72 0.36 -0.50 1.61 3.64 -1.91 -1.06 116.57 119.42 1stf h LYS 139 Ca -0.50 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 58.57 1stf h LYS 139 Cb 1.34 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1stf h LYS 139 CO 0.53 0.86 0.07 -0.44 -2.27 0.00 0.00 179.45 178.20 1stf h ASP 140 N 0.26 0.81 0.11 4.20 3.32 -1.93 0.15 116.42 123.34 1stf h ASP 140 Ca -0.01 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 56.79 1stf h ASP 140 Cb 1.14 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 1stf h ASP 140 CO 0.10 0.87 -0.22 0.15 -1.72 0.00 0.00 179.24 178.43 1stf h PHE 141 N 0.72 -0.58 0.00 4.55 3.04 -1.71 0.53 116.94 123.49 1stf h PHE 141 Ca 0.15 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 1stf h PHE 141 Cb 0.41 0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.17 1stf h PHE 141 CO 0.03 -0.32 -0.02 1.96 -2.02 0.00 0.00 178.31 177.94 1stf h GLN 142 N -0.41 0.00 0.00 1.11 4.20 -1.07 -1.29 115.11 117.65 1stf h GLN 142 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1stf h GLN 142 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1stf h GLN 142 CO -0.13 0.02 -0.68 1.28 -0.67 0.00 0.00 178.83 178.66 1stf n LEU 143 N -3.87 0.60 -4.57 1.46 4.77 0.51 -4.96 117.00 110.94 1stf n LEU 143 Ca -0.03 0.01 -0.56 0.00 -0.03 0.00 0.00 56.01 55.41 1stf n LEU 143 Cb 0.11 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1stf n LEU 143 CO 0.28 0.08 0.80 0.00 -1.33 0.00 0.00 177.39 177.22 1stf n TYR 144 N -1.74 1.20 -0.50 -1.77 9.36 0.10 -4.90 117.16 118.90 1stf n TYR 144 Ca 0.04 0.82 0.00 0.00 3.32 0.00 0.00 57.90 62.08 1stf n TYR 144 Cb 0.38 -2.24 0.00 0.00 -0.63 0.00 0.00 39.34 36.85 1stf n TYR 144 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1stf n ARG 145 N 2.32 1.11 0.00 2.98 1.85 -1.26 -2.80 116.66 120.85 1stf n ARG 145 Ca 0.20 -0.85 0.00 0.00 -1.00 0.00 0.00 57.85 56.20 1stf n ARG 145 Cb 0.13 -0.75 0.00 0.00 -1.05 0.00 0.00 32.46 30.79 1stf n ARG 145 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1stf n GLY 146 N -0.20 3.99 0.33 2.89 0.00 -1.26 -4.33 105.19 106.61 1stf n GLY 146 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1stf n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1stf n GLY 147 N -1.61 -1.74 3.39 -0.02 0.00 -1.26 -4.86 105.19 99.10 1stf n GLY 147 Ca 0.00 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1stf n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1stf s ILE 148 N 0.00 4.91 -0.01 -0.61 1.01 -1.26 -4.01 121.20 121.22 1stf s ILE 148 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 1stf s ILE 148 Cb 0.00 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 1stf s ILE 148 CO 0.00 -0.37 1.68 0.12 0.00 0.00 0.00 174.94 176.37 1stf s PHE 149 N 1.60 2.03 -0.31 3.97 5.36 0.01 -4.73 117.98 125.90 1stf s PHE 149 Ca 0.03 0.17 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 1stf s PHE 149 Cb -0.21 -3.95 0.03 0.00 -0.34 0.00 0.00 43.02 38.55 1stf s PHE 149 CO 0.07 -4.00 0.66 1.33 -1.46 0.00 0.00 175.22 171.82 1stf n VAL 150 N 5.29 0.16 0.00 3.12 0.24 -1.26 -0.48 118.33 125.40 1stf n VAL 150 Ca 0.17 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1stf n VAL 150 Cb 0.42 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 1stf n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1stf n GLY 151 N 0.08 0.29 3.84 7.63 0.00 -1.26 -4.77 105.19 111.00 1stf n GLY 151 Ca 0.02 -2.28 -0.32 0.00 0.00 0.00 0.00 46.02 43.43 1stf n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1stf s PRO 152 N -0.14 4.03 -0.18 1.61 0.04 -1.26 -4.97 135.00 134.14 1stf s PRO 152 Ca 0.00 0.85 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 1stf s PRO 152 Cb 0.00 -2.27 0.13 0.00 0.04 0.00 0.00 34.50 32.39 1stf s PRO 152 CO 0.00 -0.03 1.01 0.00 0.04 0.00 0.00 177.00 178.01 1stf n GLY 154 N 0.93 1.61 1.05 0.00 0.00 -1.26 -4.57 105.19 102.95 1stf n GLY 154 Ca -0.10 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.81 1stf n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1stf n ASN 155 N -2.61 2.66 -4.24 1.61 6.94 -1.26 -3.88 115.26 114.47 1stf n ASN 155 Ca 0.00 -3.85 -0.43 0.00 -0.02 0.00 0.00 54.58 50.27 1stf n ASN 155 Cb 0.00 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.90 1stf n ASN 155 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1stf n LYS 156 N -1.03 3.46 -2.10 -3.83 5.02 -1.26 -4.81 118.16 113.61 1stf n LYS 156 Ca 0.28 -3.71 -0.42 0.00 -2.02 0.00 0.00 58.31 52.44 1stf n LYS 156 Cb 0.82 -3.01 -0.03 0.00 -0.02 0.00 0.00 35.03 32.80 1stf n LYS 156 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1stf s VAL 157 N 1.17 3.25 0.00 -0.18 -7.23 -1.26 -4.48 120.40 111.66 1stf s VAL 157 Ca 0.42 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.41 1stf s VAL 157 Cb 0.02 -3.53 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1stf s VAL 157 CO 0.00 0.04 0.05 -0.90 -0.31 0.00 0.00 175.10 173.98 1stf n ASP 158 N 4.55 0.09 -3.71 4.85 5.68 -0.58 -4.90 116.55 122.53 1stf n ASP 158 Ca 0.13 -0.50 -0.17 0.00 -0.50 0.00 0.00 54.79 53.75 1stf n ASP 158 Cb 0.42 0.11 -0.16 0.00 -1.14 0.00 0.00 41.12 40.35 1stf n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1stf s HIS 159 N -0.11 -0.08 -0.22 2.11 5.04 -0.94 -4.94 115.29 116.16 1stf s HIS 159 Ca 0.00 0.40 -0.16 0.00 -1.54 0.00 0.00 55.06 53.76 1stf s HIS 159 Cb 0.00 -0.27 -0.04 0.00 0.04 0.00 0.00 32.58 32.31 1stf s HIS 159 CO 0.00 -0.19 0.42 0.00 -2.34 0.00 0.00 174.74 172.63 1stf s ALA 160 N 1.78 3.56 0.14 1.58 0.00 -1.26 -0.64 121.76 126.92 1stf s ALA 160 Ca -0.01 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1stf s ALA 160 Cb -0.12 -2.69 -0.00 0.00 0.00 0.00 0.00 23.12 20.31 1stf s ALA 160 CO -0.05 -0.41 0.05 1.33 0.00 0.00 0.00 175.76 176.68 1stf n VAL 161 N 4.55 0.00 -4.58 0.00 0.24 0.14 -4.52 118.33 114.16 1stf n VAL 161 Ca -0.08 -0.80 -0.23 0.00 -2.04 0.00 0.00 64.34 61.19 1stf n VAL 161 Cb 0.51 0.28 -0.16 0.00 -1.47 0.00 0.00 33.84 33.00 1stf n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1stf s ALA 162 N -2.37 1.15 -0.42 2.33 0.00 -1.00 -1.62 121.76 119.83 1stf s ALA 162 Ca 0.07 -0.48 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 1stf s ALA 162 Cb 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1stf s ALA 162 CO 0.05 0.19 0.86 0.00 0.00 0.00 0.00 175.76 176.85 1stf s ALA 163 N 0.17 3.32 -0.96 0.00 0.00 0.65 -0.61 121.76 124.34 1stf s ALA 163 Ca -0.04 -0.75 0.13 0.00 0.00 0.00 0.00 51.96 51.29 1stf s ALA 163 Cb -0.10 -3.51 0.39 0.00 0.00 0.00 0.00 23.12 19.89 1stf s ALA 163 CO 0.01 -1.81 1.32 1.33 0.00 0.00 0.00 175.76 176.61 1stf n VAL 164 N 6.12 1.19 0.00 0.00 0.24 -0.21 -2.03 118.33 123.64 1stf n VAL 164 Ca 0.05 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 1stf n VAL 164 Cb 0.48 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1stf n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1stf n GLY 165 N 0.54 0.37 3.30 7.63 0.00 -1.19 -1.35 105.19 114.50 1stf n GLY 165 Ca 0.15 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1stf n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1stf s TYR 166 N -2.00 -0.16 0.00 1.61 -0.85 -0.15 -1.22 117.35 114.57 1stf s TYR 166 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 1stf s TYR 166 Cb 0.00 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.55 1stf s TYR 166 CO 0.00 -0.67 0.00 0.41 -1.52 0.00 0.00 175.55 173.77 1stf n GLY 167 N -0.15 4.10 0.40 5.49 0.00 -0.20 -0.73 105.19 114.10 1stf n GLY 167 Ca -0.16 -1.72 0.22 0.00 0.00 0.00 0.00 46.02 44.36 1stf n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1stf h PRO 168 N 0.00 0.41 0.00 1.61 0.11 -1.96 -3.23 132.00 128.93 1stf h PRO 168 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1stf h PRO 168 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1stf h PRO 168 CO 0.00 0.27 -0.12 0.27 -0.21 0.00 0.00 178.00 178.21 1stf n ASN 169 N -4.67 0.00 -4.18 -2.05 6.94 -1.26 -4.92 115.26 105.11 1stf n ASN 169 Ca 0.26 -1.23 -0.21 0.00 -0.02 0.00 0.00 54.58 53.37 1stf n ASN 169 Cb 0.87 -0.05 -0.09 0.00 -2.36 0.00 0.00 39.78 38.15 1stf n ASN 169 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1stf s TYR 170 N 0.00 1.74 -0.15 -2.53 1.13 -1.22 -1.32 117.35 115.00 1stf s TYR 170 Ca 0.00 -1.22 0.01 0.00 -1.41 0.00 0.00 57.07 54.45 1stf s TYR 170 Cb 0.00 -1.07 0.02 0.00 -1.10 0.00 0.00 41.96 39.81 1stf s TYR 170 CO 0.00 -0.30 -0.17 0.42 -2.51 0.00 0.00 175.55 173.00 1stf s ILE 171 N -3.42 1.74 -0.16 -3.49 1.01 -0.29 -1.03 121.20 115.56 1stf s ILE 171 Ca 0.32 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 1stf s ILE 171 Cb 0.05 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.93 1stf s ILE 171 CO 0.16 0.49 1.05 -0.22 0.00 0.00 0.00 174.94 176.41 1stf s LEU 172 N 1.26 4.19 -0.07 2.97 2.96 -0.36 -2.21 118.68 127.41 1stf s LEU 172 Ca 0.01 1.50 0.03 0.00 -0.22 0.00 0.00 54.13 55.46 1stf s LEU 172 Cb -0.14 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1stf s LEU 172 CO -0.08 -0.57 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.58 1stf s ILE 173 N 2.59 2.82 -0.23 6.68 -1.09 -0.71 -1.05 121.20 130.22 1stf s ILE 173 Ca 0.48 -0.79 -0.13 0.00 -2.23 0.00 0.00 60.65 57.97 1stf s ILE 173 Cb -0.18 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.55 1stf s ILE 173 CO 0.13 0.57 0.29 -0.75 -1.23 0.00 0.00 174.94 173.95 1stf s LYS 174 N -0.31 4.11 0.35 2.79 2.20 0.22 -1.69 119.74 127.40 1stf s LYS 174 Ca 0.02 -0.02 0.08 0.00 -0.36 0.00 0.00 55.97 55.69 1stf s LYS 174 Cb -0.13 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 1stf s LYS 174 CO 0.03 -0.03 0.25 1.21 -0.36 0.00 0.00 175.35 176.45 1stf s ASN 175 N 1.14 5.05 -0.47 1.43 2.47 -0.98 -2.37 114.94 121.21 1stf s ASN 175 Ca 0.14 -0.62 0.04 0.00 0.42 0.00 0.00 52.86 52.83 1stf s ASN 175 Cb -0.14 -0.84 0.43 0.00 -1.45 0.00 0.00 41.25 39.25 1stf s ASN 175 CO 0.07 -0.37 1.41 -1.54 -3.72 0.00 0.00 177.10 172.95 1stf n SER 176 N -1.32 5.66 -0.16 -4.21 3.41 -1.26 -4.52 113.62 111.22 1stf n SER 176 Ca -0.02 -3.76 0.02 0.00 -0.26 0.00 0.00 58.87 54.86 1stf n SER 176 Cb 0.61 -0.58 0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1stf n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1stf n TRP 177 N -0.65 0.12 0.00 7.33 8.01 -1.10 -1.69 117.44 129.45 1stf n TRP 177 Ca 0.47 -0.56 0.00 0.00 -1.31 0.00 0.00 57.50 56.10 1stf n TRP 177 Cb 0.73 -0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.97 1stf n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1stf n GLY 178 N -0.38 1.51 0.03 6.99 0.00 -0.43 -4.57 105.19 108.33 1stf n GLY 178 Ca 0.04 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.30 1stf n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1stf n THR 179 N 1.61 0.00 1.50 2.61 -2.24 -1.26 -3.41 114.28 113.09 1stf n THR 179 Ca 0.00 -0.01 0.06 0.00 -2.27 0.00 0.00 64.05 61.83 1stf n THR 179 Cb 0.00 0.02 0.27 0.00 -2.10 0.00 0.00 70.33 68.51 1stf n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1stf n GLY 180 N 1.47 -0.23 3.69 3.38 0.00 -1.26 -3.24 105.19 109.00 1stf n GLY 180 Ca 0.07 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1stf n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1stf s TRP 181 N -1.82 3.16 0.00 1.61 -0.00 -1.22 -4.96 118.94 115.71 1stf s TRP 181 Ca 0.21 0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.49 1stf s TRP 181 Cb 0.11 -1.76 0.00 0.00 -0.00 0.00 0.00 33.47 31.82 1stf s TRP 181 CO 0.16 0.48 0.00 0.41 -0.00 0.00 0.00 176.95 178.00 1stf n GLY 182 N 1.91 1.99 2.79 5.86 0.00 -1.12 -0.39 105.19 116.23 1stf n GLY 182 Ca -0.17 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1stf n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1stf n GLU 183 N 6.87 3.47 -3.07 1.61 1.02 -0.12 -4.48 120.64 125.95 1stf n GLU 183 Ca 0.00 -3.25 -0.21 0.00 -0.02 0.00 0.00 57.16 53.68 1stf n GLU 183 Cb 0.00 -3.00 0.04 0.00 -0.02 0.00 0.00 31.44 28.46 1stf n GLU 183 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1stf n ASN 184 N 4.32 -5.78 0.00 1.62 4.13 -1.23 -1.98 115.26 116.33 1stf n ASN 184 Ca 0.45 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 56.40 1stf n ASN 184 Cb 0.36 -4.56 0.00 0.00 -1.54 0.00 0.00 39.78 34.04 1stf n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1stf n GLY 185 N -1.55 0.31 3.81 7.41 0.00 0.48 -4.54 105.19 111.10 1stf n GLY 185 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1stf n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1stf s TYR 186 N -2.09 3.10 -0.01 1.61 1.51 -0.84 -2.32 117.35 118.31 1stf s TYR 186 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1stf s TYR 186 Cb 0.00 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1stf s TYR 186 CO 0.00 0.52 -0.00 -1.50 -1.11 0.00 0.00 175.55 173.46 1stf s ILE 187 N -2.02 0.10 -0.28 2.71 2.07 -0.68 -0.94 121.20 122.16 1stf s ILE 187 Ca 0.32 0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.48 1stf s ILE 187 Cb -0.08 -0.14 -0.05 0.00 0.13 0.00 0.00 42.46 42.32 1stf s ILE 187 CO 0.24 0.07 0.18 -0.13 -1.91 0.00 0.00 174.94 173.39 1stf s ARG 188 N 0.43 3.88 -0.07 3.50 0.52 -1.26 -1.74 118.95 124.21 1stf s ARG 188 Ca -0.04 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1stf s ARG 188 Cb -0.06 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 1stf s ARG 188 CO -0.01 -0.20 -0.12 0.42 0.02 0.00 0.00 175.30 175.41 1stf s ILE 189 N 1.74 3.23 0.35 1.52 1.01 -0.94 -0.81 121.20 127.31 1stf s ILE 189 Ca 0.07 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 59.79 1stf s ILE 189 Cb -0.16 -2.30 -0.11 0.00 0.01 0.00 0.00 42.46 39.90 1stf s ILE 189 CO 0.10 0.58 1.42 -0.75 0.00 0.00 0.00 174.94 176.29 1stf s LYS 190 N -0.54 4.21 0.28 2.79 2.20 0.37 -1.14 119.74 127.91 1stf s LYS 190 Ca 0.08 2.42 0.04 0.00 -0.36 0.00 0.00 55.97 58.14 1stf s LYS 190 Cb -0.12 -3.02 -0.06 0.00 -1.51 0.00 0.00 37.83 33.13 1stf s LYS 190 CO 0.02 -0.39 0.02 -0.98 -0.36 0.00 0.00 175.35 173.65 1stf s ARG 191 N -1.85 1.50 0.00 4.03 1.70 -0.43 -4.49 118.95 119.41 1stf s ARG 191 Ca 0.52 -1.80 0.00 0.00 -0.47 0.00 0.00 55.73 53.98 1stf s ARG 191 Cb -0.44 -0.77 0.00 0.00 -0.57 0.00 0.00 34.95 33.18 1stf s ARG 191 CO 0.58 -0.13 0.00 0.41 -1.08 0.00 0.00 175.30 175.08 1stf n GLY 192 N -0.56 0.77 0.00 3.88 0.00 -1.26 -4.73 105.19 103.30 1stf n GLY 192 Ca -0.03 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1stf n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1stf n THR 193 N -2.43 0.00 -0.23 2.61 -2.24 -1.26 -4.88 114.28 105.84 1stf n THR 193 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1stf n THR 193 Cb 0.00 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1stf n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1stf n GLY 194 N 1.48 2.15 3.68 3.38 0.00 -1.26 -5.00 105.19 109.63 1stf n GLY 194 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1stf n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1stf s ASN 195 N -3.54 7.11 0.18 1.61 2.47 -1.26 -4.93 114.94 116.58 1stf s ASN 195 Ca 0.00 1.70 0.21 0.00 0.42 0.00 0.00 52.86 55.19 1stf s ASN 195 Cb 0.00 -2.56 -0.02 0.00 -1.45 0.00 0.00 41.25 37.22 1stf s ASN 195 CO 0.00 -0.55 1.02 -1.28 -3.72 0.00 0.00 177.10 172.57 1stf h SER 196 N 7.38 0.00 0.84 -4.21 0.87 -1.94 -3.06 113.55 113.43 1stf h SER 196 Ca -0.32 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1stf h SER 196 Cb 1.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1stf h SER 196 CO 0.88 0.19 -0.06 1.88 -0.53 0.00 0.00 176.83 179.19 1stf h TYR 197 N 0.00 0.00 0.00 2.24 0.05 -1.91 -3.39 116.97 113.96 1stf h TYR 197 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1stf h TYR 197 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1stf h TYR 197 CO 0.00 0.06 0.00 0.41 -1.05 0.00 0.00 178.16 177.58 1stf n GLY 198 N -0.12 -1.71 3.69 3.88 0.00 -1.16 -1.22 105.19 108.55 1stf n GLY 198 Ca -0.00 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1stf n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1stf s VAL 199 N -1.80 4.30 -1.65 1.61 1.01 -1.26 -2.06 120.40 120.55 1stf s VAL 199 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1stf s VAL 199 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1stf s VAL 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.10 1stf n GLY 201 N -1.02 0.74 0.50 0.00 0.00 -0.88 0.28 105.19 104.81 1stf n GLY 201 Ca -0.16 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.14 1stf n GLY 201 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1stf h LEU 202 N 0.00 0.00 -3.16 0.99 5.85 -1.02 -0.72 115.31 117.25 1stf h LEU 202 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1stf h LEU 202 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1stf h LEU 202 CO 0.00 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.88 1stf n TYR 203 N -3.51 1.22 0.20 1.25 4.01 -0.35 -4.43 117.16 115.55 1stf n TYR 203 Ca 0.20 -0.66 -0.14 0.00 -0.16 0.00 0.00 57.90 57.14 1stf n TYR 203 Cb 1.27 -0.24 -0.08 0.00 -0.31 0.00 0.00 39.34 39.98 1stf n TYR 203 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1stf h THR 204 N 3.16 0.56 -1.96 -0.72 2.02 -1.23 0.49 112.91 115.22 1stf h THR 204 Ca 0.00 -0.50 -0.26 0.00 0.77 0.00 0.00 66.41 66.42 1stf h THR 204 Cb 1.36 0.78 -0.31 0.00 -1.74 0.00 0.00 68.15 68.24 1stf h THR 204 CO 0.21 0.08 -0.59 -0.55 0.37 0.00 0.00 175.52 175.05 1stf s SER 205 N -4.94 1.06 -0.07 4.18 0.15 -1.26 -4.67 113.70 108.15 1stf s SER 205 Ca -0.14 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1stf s SER 205 Cb 0.02 0.79 0.02 0.00 -1.71 0.00 0.00 66.02 65.14 1stf s SER 205 CO 0.53 -0.37 -0.05 -0.44 1.20 0.00 0.00 173.24 174.11 1stf s SER 206 N 2.45 1.45 0.08 5.45 0.01 -1.26 -2.98 113.70 118.90 1stf s SER 206 Ca 0.10 -0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.25 1stf s SER 206 Cb -0.13 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 1stf s SER 206 CO -0.30 -0.08 -0.19 -0.36 0.41 0.00 0.00 173.24 172.72 1stf s PHE 207 N 1.26 1.61 0.03 2.43 0.08 -0.63 0.42 117.98 123.18 1stf s PHE 207 Ca -0.05 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.59 1stf s PHE 207 Cb -0.14 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 1stf s PHE 207 CO -0.02 0.15 -0.05 1.52 -0.10 0.00 0.00 175.22 176.71 1stf s TYR 208 N -1.13 0.47 0.34 0.36 1.13 0.11 -1.26 117.35 117.37 1stf s TYR 208 Ca 0.04 -0.55 -0.27 0.00 -1.41 0.00 0.00 57.07 54.88 1stf s TYR 208 Cb -0.10 -0.30 -0.09 0.00 -1.10 0.00 0.00 41.96 40.37 1stf s TYR 208 CO 0.03 -0.15 1.11 -1.25 -2.51 0.00 0.00 175.55 172.79 1stf s PRO 209 N -1.69 4.39 -0.19 -3.49 0.04 -1.26 0.19 135.00 132.99 1stf s PRO 209 Ca -0.12 1.77 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 1stf s PRO 209 Cb -0.09 -2.92 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 1stf s PRO 209 CO -0.01 -0.01 0.11 0.08 0.04 0.00 0.00 177.00 177.22 1stf s VAL 210 N -1.33 5.27 -0.35 -0.36 1.01 0.30 -4.84 120.40 120.11 1stf s VAL 210 Ca 0.50 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.67 1stf s VAL 210 Cb -0.30 -3.39 0.17 0.00 0.00 0.00 0.00 36.38 32.87 1stf s VAL 210 CO 0.38 0.46 0.50 -0.75 0.00 0.00 0.00 175.10 175.69 1stf s LYS 211 N 0.22 0.62 0.00 2.72 2.47 -1.26 -0.20 119.74 124.30 1stf s LYS 211 Ca 0.08 -0.15 0.00 0.00 -1.56 0.00 0.00 55.97 54.34 1stf s LYS 211 Cb -0.11 -0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.08 1stf s LYS 211 CO -0.01 -1.12 0.00 0.09 0.16 0.00 0.00 175.35 174.47