#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcf s MET 2 N 0.00 0.20 -0.03 1.57 -2.45 -1.26 -5.06 119.30 112.27 1dcf s MET 2 Ca 0.00 0.38 0.14 0.00 -1.25 0.00 0.00 55.69 54.96 1dcf s MET 2 Cb 0.00 -0.82 -0.21 0.00 1.25 0.00 0.00 34.83 35.05 1dcf s MET 2 CO 0.00 -0.57 0.67 0.43 1.05 0.00 0.00 175.02 176.60 1dcf n SER 3 N 5.33 0.82 -4.09 1.11 7.64 -1.26 -4.76 113.62 118.42 1dcf n SER 3 Ca -0.05 0.38 -0.17 0.00 1.01 0.00 0.00 58.87 60.04 1dcf n SER 3 Cb 0.50 0.05 -0.13 0.00 -1.01 0.00 0.00 64.21 63.62 1dcf n SER 3 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dcf s ASN 4 N -5.98 1.24 -0.29 6.43 2.20 -1.26 -4.97 114.94 112.32 1dcf s ASN 4 Ca -0.05 -0.42 0.08 0.00 -0.94 0.00 0.00 52.86 51.54 1dcf s ASN 4 Cb 0.08 -0.06 0.46 0.00 -2.00 0.00 0.00 41.25 39.74 1dcf s ASN 4 CO 0.82 -0.03 1.18 0.49 -2.94 0.00 0.00 177.10 176.63 1dcf n PHE 5 N 1.96 2.63 -1.73 1.54 3.72 -0.11 -5.05 117.46 120.43 1dcf n PHE 5 Ca -0.18 -2.21 -0.62 0.00 -0.05 0.00 0.00 57.45 54.39 1dcf n PHE 5 Cb 0.55 -0.33 -0.08 0.00 -0.94 0.00 0.00 39.48 38.68 1dcf n PHE 5 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1dcf n THR 6 N -0.70 0.19 -0.29 4.37 -1.04 -1.16 -0.07 114.28 115.57 1dcf n THR 6 Ca 0.41 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1dcf n THR 6 Cb 0.96 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1dcf n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dcf n GLY 7 N 4.16 0.85 3.66 3.41 0.00 0.23 -4.96 105.19 112.53 1dcf n GLY 7 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1dcf n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dcf s LEU 8 N 0.00 4.38 -0.65 0.99 2.96 0.90 -4.64 118.68 122.62 1dcf s LEU 8 Ca 0.00 2.45 -0.26 0.00 -0.22 0.00 0.00 54.13 56.10 1dcf s LEU 8 Cb 0.00 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 43.20 1dcf s LEU 8 CO 0.00 -0.99 1.12 -0.54 -1.32 0.00 0.00 176.35 174.62 1dcf s LYS 9 N 4.22 3.28 0.17 1.98 -0.14 -1.26 -0.04 119.74 127.94 1dcf s LYS 9 Ca 0.81 -0.26 0.08 0.00 -1.36 0.00 0.00 55.97 55.24 1dcf s LYS 9 Cb -0.38 -4.12 -0.04 0.00 -1.68 0.00 0.00 37.83 31.60 1dcf s LYS 9 CO 0.35 -1.83 -0.17 0.14 -0.76 0.00 0.00 175.35 173.08 1dcf s VAL 10 N 4.82 1.75 0.00 3.17 -7.23 -0.63 0.91 120.40 123.19 1dcf s VAL 10 Ca 0.33 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.62 1dcf s VAL 10 Cb -0.11 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 1dcf s VAL 10 CO 0.17 -0.38 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.15 1dcf s LEU 11 N -2.76 2.08 -0.13 1.32 2.96 0.50 -1.70 118.68 120.94 1dcf s LEU 11 Ca 0.16 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1dcf s LEU 11 Cb -0.05 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.57 1dcf s LEU 11 CO 0.06 0.24 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.42 1dcf s VAL 12 N -0.60 2.07 -0.25 1.68 1.01 0.31 -0.46 120.40 124.15 1dcf s VAL 12 Ca 0.08 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1dcf s VAL 12 Cb -0.08 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1dcf s VAL 12 CO 0.00 0.55 -0.10 -0.32 0.00 0.00 0.00 175.10 175.23 1dcf s MET 13 N 0.70 2.50 -0.21 2.72 1.75 0.02 -0.60 119.30 126.17 1dcf s MET 13 Ca -0.10 -1.19 -0.12 0.00 -1.25 0.00 0.00 55.69 53.04 1dcf s MET 13 Cb -0.16 -2.90 0.07 0.00 2.84 0.00 0.00 34.83 34.67 1dcf s MET 13 CO 0.01 -0.49 0.52 0.34 -0.65 0.00 0.00 175.02 174.74 1dcf s ASP 14 N 1.20 -0.68 0.43 1.11 -1.08 -0.78 -1.62 116.67 115.24 1dcf s ASP 14 Ca -0.05 1.14 0.21 0.00 -0.52 0.00 0.00 52.55 53.33 1dcf s ASP 14 Cb -0.18 1.02 0.95 0.00 -1.46 0.00 0.00 42.92 43.24 1dcf s ASP 14 CO -0.06 -0.21 1.86 1.05 0.52 0.00 0.00 175.17 178.34 1dcf h GLU 15 N 7.09 0.00 -5.93 4.34 -0.00 -1.83 -3.37 114.58 114.88 1dcf h GLU 15 Ca -0.34 0.00 -0.57 0.00 -0.00 0.00 0.00 59.36 58.45 1dcf h GLU 15 Cb 1.20 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.88 1dcf h GLU 15 CO 0.24 0.28 0.20 1.21 -0.00 0.00 0.00 179.01 180.94 1dcf s ASN 16 N -6.43 6.92 0.13 3.06 3.04 -1.26 -4.97 114.94 115.43 1dcf s ASN 16 Ca -0.01 1.12 -0.16 0.00 0.04 0.00 0.00 52.86 53.85 1dcf s ASN 16 Cb 0.12 -2.42 -0.02 0.00 -1.54 0.00 0.00 41.25 37.40 1dcf s ASN 16 CO 0.66 -0.24 1.64 1.23 -3.04 0.00 0.00 177.10 177.34 1dcf h GLY 17 N 7.56 0.65 0.81 1.21 0.00 -1.98 0.11 103.07 111.43 1dcf h GLY 17 Ca -0.35 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 1dcf h GLY 17 CO 0.78 0.37 0.02 -2.08 0.00 0.00 0.00 176.54 175.64 1dcf h VAL 18 N 0.48 1.21 -0.38 4.60 2.07 -1.98 0.49 116.25 122.73 1dcf h VAL 18 Ca 0.12 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1dcf h VAL 18 Cb 0.28 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1dcf h VAL 18 CO -0.00 0.19 0.23 -1.28 0.02 0.00 0.00 177.57 176.72 1dcf h SER 19 N -0.02 0.46 -0.62 0.57 0.87 -1.97 0.31 113.55 113.15 1dcf h SER 19 Ca 0.04 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1dcf h SER 19 Cb 0.27 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 1dcf h SER 19 CO 0.00 0.39 0.36 -0.09 -0.53 0.00 0.00 176.83 176.96 1dcf h ARG 20 N 0.50 0.84 -0.17 2.24 2.43 -0.57 -0.85 114.38 118.80 1dcf h ARG 20 Ca 0.14 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1dcf h ARG 20 Cb 0.01 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1dcf h ARG 20 CO -0.03 0.61 0.09 1.98 -1.51 0.00 0.00 179.97 181.11 1dcf h MET 21 N 0.84 0.24 -0.13 0.20 4.05 0.50 -1.32 114.93 119.30 1dcf h MET 21 Ca 0.22 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1dcf h MET 21 Cb -0.01 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1dcf h MET 21 CO -0.04 0.26 0.07 0.28 0.23 0.00 0.00 176.91 177.72 1dcf h VAL 22 N 0.16 1.09 -0.60 -5.77 2.07 -0.18 -1.15 116.25 111.87 1dcf h VAL 22 Ca 0.06 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1dcf h VAL 22 Cb 0.10 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1dcf h VAL 22 CO -0.01 0.08 0.33 0.74 0.02 0.00 0.00 177.57 178.74 1dcf h THR 23 N 0.12 0.98 -0.70 2.57 2.02 -1.08 -1.63 112.91 115.19 1dcf h THR 23 Ca 0.05 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1dcf h THR 23 Cb 0.07 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1dcf h THR 23 CO -0.01 0.12 0.43 0.50 0.37 0.00 0.00 175.52 176.93 1dcf h LYS 24 N 0.63 0.95 -0.65 6.66 3.64 -0.96 -2.35 116.57 124.49 1dcf h LYS 24 Ca 0.27 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1dcf h LYS 24 Cb 0.14 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 1dcf h LYS 24 CO -0.16 0.67 0.39 0.78 -2.27 0.00 0.00 179.45 178.85 1dcf h GLY 25 N 0.96 0.94 0.92 5.01 0.00 -0.32 0.75 103.07 111.33 1dcf h GLY 25 Ca 0.25 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1dcf h GLY 25 CO -0.05 0.21 0.04 1.41 0.00 0.00 0.00 176.54 178.16 1dcf h LEU 26 N 0.74 0.60 -1.10 3.11 3.38 -1.15 -2.02 115.31 118.87 1dcf h LEU 26 Ca 0.27 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1dcf h LEU 26 Cb 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1dcf h LEU 26 CO -0.14 0.72 0.03 -0.07 0.09 0.00 0.00 178.44 179.08 1dcf h LEU 27 N 0.46 0.63 -1.00 1.67 3.38 -1.02 -2.19 115.31 117.23 1dcf h LEU 27 Ca 0.11 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1dcf h LEU 27 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1dcf h LEU 27 CO 0.01 0.68 -0.37 0.58 0.09 0.00 0.00 178.44 179.43 1dcf h VAL 28 N 0.64 1.29 0.00 1.22 2.07 -0.64 0.77 116.25 121.60 1dcf h VAL 28 Ca 0.13 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 1dcf h VAL 28 Cb 0.35 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1dcf h VAL 28 CO 0.01 0.43 -0.33 -0.74 0.02 0.00 0.00 177.57 176.96 1dcf h HIS 29 N 0.22 0.00 -0.00 1.57 -0.00 -0.76 -2.30 115.15 113.87 1dcf h HIS 29 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1dcf h HIS 29 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 1dcf h HIS 29 CO 0.01 0.33 -0.14 1.28 -0.00 0.00 0.00 177.93 179.41 1dcf n LEU 30 N -3.58 0.47 0.00 0.26 4.77 -0.94 -4.92 117.00 113.06 1dcf n LEU 30 Ca -0.01 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1dcf n LEU 30 Cb 0.46 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1dcf n LEU 30 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1dcf n GLY 31 N 1.32 0.97 3.86 -0.72 0.00 -0.86 -0.93 105.19 108.82 1dcf n GLY 31 Ca 0.13 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1dcf n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dcf s GLU 33 N -3.36 3.01 -0.22 0.00 2.02 0.94 -4.39 118.70 116.69 1dcf s GLU 33 Ca 0.52 -1.49 -0.12 0.00 0.02 0.00 0.00 54.97 53.91 1dcf s GLU 33 Cb -0.10 -4.25 -0.05 0.00 0.10 0.00 0.00 34.13 29.83 1dcf s GLU 33 CO 0.24 -1.32 0.21 0.08 0.02 0.00 0.00 175.26 174.49 1dcf s VAL 34 N 1.96 5.33 -0.05 2.63 1.01 -1.26 -1.61 120.40 128.41 1dcf s VAL 34 Ca 0.06 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1dcf s VAL 34 Cb -0.27 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1dcf s VAL 34 CO 0.05 0.34 -0.08 -0.89 0.00 0.00 0.00 175.10 174.52 1dcf s THR 35 N 0.98 3.57 0.13 3.92 2.01 -0.69 -5.02 115.64 120.55 1dcf s THR 35 Ca 0.10 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.60 1dcf s THR 35 Cb -0.13 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 1dcf s THR 35 CO 0.04 0.56 -0.18 0.42 -0.69 0.00 0.00 174.62 174.78 1dcf s THR 36 N -0.83 1.66 0.05 -0.82 -4.23 -1.26 -0.53 115.64 109.68 1dcf s THR 36 Ca 0.13 -1.74 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 1dcf s THR 36 Cb -0.11 -1.66 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 1dcf s THR 36 CO 0.02 -0.26 0.14 0.68 -0.54 0.00 0.00 174.62 174.66 1dcf s VAL 37 N -1.77 0.13 -0.09 2.29 -7.23 0.23 -4.93 120.40 109.03 1dcf s VAL 37 Ca 0.11 -1.11 0.14 0.00 -1.81 0.00 0.00 61.98 59.30 1dcf s VAL 37 Cb -0.07 -1.06 0.21 0.00 0.56 0.00 0.00 36.38 36.02 1dcf s VAL 37 CO 0.05 -0.61 1.10 -1.54 -0.31 0.00 0.00 175.10 173.78 1dcf n SER 38 N 0.49 1.79 -3.63 4.85 3.41 -1.26 -1.86 113.62 117.42 1dcf n SER 38 Ca -0.18 -2.76 -0.11 0.00 -0.26 0.00 0.00 58.87 55.56 1dcf n SER 38 Cb 0.60 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1dcf n SER 38 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1dcf s SER 39 N -2.32 -0.26 -0.00 4.04 1.04 -1.26 -4.22 113.70 110.71 1dcf s SER 39 Ca 0.23 -0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.16 1dcf s SER 39 Cb 0.20 0.47 -0.19 0.00 0.10 0.00 0.00 66.02 66.60 1dcf s SER 39 CO 0.02 -0.83 1.35 0.78 0.98 0.00 0.00 173.24 175.54 1dcf h ASN 40 N 2.46 -0.01 -0.95 7.02 2.35 -1.99 -1.12 115.58 123.34 1dcf h ASN 40 Ca -0.33 -0.39 0.14 0.00 -0.55 0.00 0.00 56.30 55.16 1dcf h ASN 40 Cb 1.25 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.53 1dcf h ASN 40 CO 0.46 0.38 0.57 -0.33 -1.65 0.00 0.00 177.43 176.86 1dcf h GLU 41 N -0.41 0.82 -0.52 0.81 3.07 -2.00 0.32 114.58 116.68 1dcf h GLU 41 Ca -0.00 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.71 1dcf h GLU 41 Cb 0.40 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1dcf h GLU 41 CO 0.00 0.54 -0.08 1.49 -1.40 0.00 0.00 179.01 179.57 1dcf h GLU 42 N 0.84 0.97 -0.94 2.33 4.81 -1.94 -2.98 114.58 117.66 1dcf h GLU 42 Ca 0.50 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1dcf h GLU 42 Cb 0.60 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 1dcf h GLU 42 CO -0.31 1.02 0.55 0.00 -0.73 0.00 0.00 179.01 179.54 1dcf h LEU 44 N 1.30 0.02 0.03 0.00 3.38 -1.05 -0.48 115.31 118.51 1dcf h LEU 44 Ca 0.34 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.01 1dcf h LEU 44 Cb -0.03 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1dcf h LEU 44 CO -0.06 0.31 -1.61 0.03 0.09 0.00 0.00 178.44 177.20 1dcf h ARG 45 N 0.02 0.06 0.20 1.13 3.08 -1.38 -3.38 114.38 114.10 1dcf h ARG 45 Ca 0.00 -0.10 -0.32 0.00 0.07 0.00 0.00 59.98 59.62 1dcf h ARG 45 Cb 0.52 0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.63 1dcf h ARG 45 CO 0.04 0.73 -1.50 0.28 -1.07 0.00 0.00 179.97 178.45 1dcf h VAL 46 N 0.02 1.24 -1.97 2.04 2.07 -1.24 -3.45 116.25 114.95 1dcf h VAL 46 Ca -0.25 -2.75 -0.59 0.00 0.82 0.00 0.00 66.70 63.92 1dcf h VAL 46 Cb 1.98 2.93 0.01 0.00 -1.52 0.00 0.00 31.29 34.68 1dcf h VAL 46 CO 0.10 0.84 1.30 0.55 0.02 0.00 0.00 177.57 180.37 1dcf n VAL 47 N -3.61 0.51 -4.44 2.57 3.14 -0.20 -4.96 118.33 111.34 1dcf n VAL 47 Ca -0.17 -0.24 -0.21 0.00 -2.96 0.00 0.00 64.34 60.76 1dcf n VAL 47 Cb 1.08 -2.16 -0.10 0.00 -1.06 0.00 0.00 33.84 31.59 1dcf n VAL 47 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1dcf s SER 48 N 5.88 2.21 0.66 6.55 1.04 -1.26 -4.99 113.70 123.79 1dcf s SER 48 Ca 0.97 -1.43 0.34 0.00 0.48 0.00 0.00 55.95 56.31 1dcf s SER 48 Cb -0.54 0.06 1.84 0.00 0.10 0.00 0.00 66.02 67.47 1dcf s SER 48 CO 0.44 -0.68 2.05 1.12 0.98 0.00 0.00 173.24 177.15 1dcf h HIS 49 N 2.11 0.00 -0.63 5.02 2.07 -1.93 0.12 115.15 121.92 1dcf h HIS 49 Ca -0.39 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.19 1dcf h HIS 49 Cb 1.25 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.17 1dcf h HIS 49 CO 0.70 0.00 0.32 0.93 -3.07 0.00 0.00 177.93 176.82 1dcf h GLU 50 N 0.00 0.58 -6.37 5.12 4.39 -1.94 -3.40 114.58 112.96 1dcf h GLU 50 Ca 0.02 -0.03 -0.57 0.00 0.34 0.00 0.00 59.36 59.11 1dcf h GLU 50 Cb 0.50 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1dcf h GLU 50 CO -0.00 0.38 1.12 -1.01 -1.16 0.00 0.00 179.01 178.35 1dcf s HIS 51 N -6.10 2.21 -0.27 4.33 3.76 0.43 -4.62 115.29 115.02 1dcf s HIS 51 Ca -0.13 0.65 0.18 0.00 -0.15 0.00 0.00 55.06 55.62 1dcf s HIS 51 Cb 0.16 -4.11 0.17 0.00 1.11 0.00 0.00 32.58 29.90 1dcf s HIS 51 CO 0.75 -2.46 1.48 0.87 -0.85 0.00 0.00 174.74 174.53 1dcf h LYS 52 N 11.04 0.00 -3.20 1.40 1.79 0.31 -3.39 116.57 124.52 1dcf h LYS 52 Ca -0.31 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.00 1dcf h LYS 52 Cb 1.13 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.53 1dcf h LYS 52 CO 1.04 0.28 -0.45 0.08 -1.08 0.00 0.00 179.45 179.33 1dcf s VAL 53 N -3.07 0.01 -0.19 0.50 1.01 -1.18 -1.82 120.40 115.66 1dcf s VAL 53 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1dcf s VAL 53 Cb 0.07 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 36.14 1dcf s VAL 53 CO 0.72 -0.03 -0.14 -0.69 0.00 0.00 0.00 175.10 174.96 1dcf s VAL 54 N -0.03 1.82 -0.24 2.92 1.01 0.60 -0.37 120.40 126.10 1dcf s VAL 54 Ca -0.01 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 1dcf s VAL 54 Cb -0.02 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1dcf s VAL 54 CO 0.01 0.29 0.36 -0.36 0.00 0.00 0.00 175.10 175.40 1dcf s PHE 55 N 1.34 3.30 0.04 5.22 0.40 0.39 -0.28 117.98 128.39 1dcf s PHE 55 Ca 0.00 0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.88 1dcf s PHE 55 Cb -0.15 -2.52 -0.02 0.00 0.51 0.00 0.00 43.02 40.83 1dcf s PHE 55 CO -0.09 -0.11 -0.19 0.00 0.70 0.00 0.00 175.22 175.52 1dcf s MET 56 N 1.67 1.30 0.04 0.44 0.23 0.86 -0.80 119.30 123.04 1dcf s MET 56 Ca 0.16 -0.89 -0.26 0.00 -1.03 0.00 0.00 55.69 53.67 1dcf s MET 56 Cb -0.15 -1.39 -0.05 0.00 -1.53 0.00 0.00 34.83 31.71 1dcf s MET 56 CO 0.09 0.35 0.81 0.34 -2.03 0.00 0.00 175.02 174.58 1dcf s ASP 57 N -1.13 7.25 -0.19 -1.18 2.15 -0.64 0.00 116.67 122.93 1dcf s ASP 57 Ca 0.06 1.50 0.15 0.00 0.43 0.00 0.00 52.55 54.69 1dcf s ASP 57 Cb -0.08 -2.49 0.44 0.00 -0.30 0.00 0.00 42.92 40.48 1dcf s ASP 57 CO 0.02 -0.04 1.19 1.33 -0.17 0.00 0.00 175.17 177.49 1dcf n VAL 58 N 3.02 1.72 1.57 1.11 0.24 -0.44 -4.82 118.33 120.72 1dcf n VAL 58 Ca -0.01 -2.98 0.15 0.00 -2.04 0.00 0.00 64.34 59.46 1dcf n VAL 58 Cb 0.50 -0.02 0.71 0.00 -1.47 0.00 0.00 33.84 33.57 1dcf n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dcf s MET 60 N -2.32 2.77 0.68 0.00 -1.94 -1.26 -4.96 119.30 112.26 1dcf s MET 60 Ca 0.35 1.51 -0.16 0.00 -1.71 0.00 0.00 55.69 55.68 1dcf s MET 60 Cb 0.21 -1.94 0.01 0.00 2.01 0.00 0.00 34.83 35.12 1dcf s MET 60 CO 0.43 -1.29 1.20 -1.25 -0.01 0.00 0.00 175.02 174.10 1dcf s PRO 61 N -3.90 2.50 4.84 2.03 0.04 -1.26 -4.75 135.00 134.50 1dcf s PRO 61 Ca 0.70 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1dcf s PRO 61 Cb -0.23 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1dcf s PRO 61 CO 0.39 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1dcf n GLY 62 N 0.32 1.66 0.52 0.56 0.00 -1.26 -3.86 105.19 103.13 1dcf n GLY 62 Ca 0.13 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1dcf n GLY 62 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dcf n VAL 63 N 0.00 2.12 -0.30 1.61 0.24 -1.26 -4.73 118.33 116.01 1dcf n VAL 63 Ca 0.00 -2.15 0.03 0.00 -2.04 0.00 0.00 64.34 60.18 1dcf n VAL 63 Cb 0.00 -0.25 0.17 0.00 -1.47 0.00 0.00 33.84 32.29 1dcf n VAL 63 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1dcf h GLU 64 N 0.90 0.78 -0.00 7.34 5.08 -1.87 -1.19 114.58 125.62 1dcf h GLU 64 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1dcf h GLU 64 Cb 1.24 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1dcf h GLU 64 CO 0.12 0.52 -0.03 0.09 -1.00 0.00 0.00 179.01 178.71 1dcf n ASN 65 N -4.73 0.14 0.03 1.42 5.03 -1.26 -3.48 115.26 112.41 1dcf n ASN 65 Ca 0.14 -0.48 0.02 0.00 0.87 0.00 0.00 54.58 55.13 1dcf n ASN 65 Cb 0.29 -0.16 -0.08 0.00 -1.02 0.00 0.00 39.78 38.81 1dcf n ASN 65 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1dcf n TYR 66 N -1.11 0.90 -0.32 3.10 4.02 -0.46 -4.20 117.16 119.09 1dcf n TYR 66 Ca 0.17 0.29 0.12 0.00 -0.01 0.00 0.00 57.90 58.47 1dcf n TYR 66 Cb 0.22 -1.04 0.30 0.00 -0.02 0.00 0.00 39.34 38.80 1dcf n TYR 66 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1dcf h GLN 67 N 0.00 0.55 -0.75 -0.72 1.08 -1.56 -0.42 115.11 113.28 1dcf h GLN 67 Ca -0.15 -0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.16 1dcf h GLN 67 Cb 1.50 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 28.76 1dcf h GLN 67 CO 0.04 0.36 0.50 0.97 -0.95 0.00 0.00 178.83 179.75 1dcf h ILE 68 N 0.56 0.82 -0.31 2.54 6.09 -1.80 0.13 117.51 125.54 1dcf h ILE 68 Ca 0.55 -0.16 -0.10 0.00 -1.37 0.00 0.00 64.86 63.78 1dcf h ILE 68 Cb 0.94 0.32 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 1dcf h ILE 68 CO -0.44 0.08 -0.23 0.00 -3.07 0.00 0.00 178.15 174.49 1dcf h ALA 69 N 1.64 1.03 -0.12 0.18 0.00 -1.33 0.16 119.26 120.81 1dcf h ALA 69 Ca 0.37 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1dcf h ALA 69 Cb 0.78 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1dcf h ALA 69 CO -0.12 0.58 -0.04 -0.07 0.00 0.00 0.00 179.25 179.60 1dcf h LEU 70 N 0.52 0.25 -1.77 0.00 3.38 -0.79 -1.55 115.31 115.35 1dcf h LEU 70 Ca 0.08 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.75 1dcf h LEU 70 Cb 0.68 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1dcf h LEU 70 CO 0.05 0.58 0.33 0.03 0.09 0.00 0.00 178.44 179.52 1dcf h ARG 71 N -0.08 0.27 -0.02 1.13 3.08 -0.81 -0.57 114.38 117.38 1dcf h ARG 71 Ca 0.03 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 1dcf h ARG 71 Cb 0.48 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1dcf h ARG 71 CO 0.01 0.18 -0.71 0.82 -1.07 0.00 0.00 179.97 179.20 1dcf h ILE 72 N 0.27 1.47 -0.18 2.04 2.04 -0.37 -2.74 117.51 120.04 1dcf h ILE 72 Ca 0.22 -2.32 -0.19 0.00 1.00 0.00 0.00 64.86 63.57 1dcf h ILE 72 Cb 0.51 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1dcf h ILE 72 CO -0.05 0.67 -0.65 0.45 0.00 0.00 0.00 178.15 178.58 1dcf h HIS 73 N 0.08 0.88 -0.00 1.37 3.86 -0.12 -3.13 115.15 118.08 1dcf h HIS 73 Ca -0.02 -0.35 0.02 0.00 -1.16 0.00 0.00 60.37 58.86 1dcf h HIS 73 Cb 1.26 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 1dcf h HIS 73 CO 0.01 1.14 -0.10 0.93 0.86 0.00 0.00 177.93 180.78 1dcf h GLU 74 N 0.50 -0.16 -0.14 2.45 4.39 -1.18 -2.86 114.58 117.58 1dcf h GLU 74 Ca -0.02 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1dcf h GLU 74 Cb 1.24 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.88 1dcf h GLU 74 CO 0.13 -0.10 -0.17 -0.22 -1.16 0.00 0.00 179.01 177.49 1dcf h LYS 75 N -0.16 -0.20 0.00 2.33 3.64 -1.50 -2.35 116.57 118.33 1dcf h LYS 75 Ca 0.04 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1dcf h LYS 75 Cb 0.21 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1dcf h LYS 75 CO -0.10 -0.13 0.00 1.19 -2.27 0.00 0.00 179.45 178.14 1dcf n PHE 76 N -5.31 0.00 1.04 1.91 3.01 -1.19 -2.35 117.46 114.57 1dcf n PHE 76 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1dcf n PHE 76 Cb 0.23 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1dcf n PHE 76 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1dcf n THR 77 N -1.08 0.00 -0.71 4.37 -1.04 -0.89 -4.64 114.28 110.29 1dcf n THR 77 Ca 0.19 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.88 1dcf n THR 77 Cb 0.14 -0.35 0.16 0.00 -1.82 0.00 0.00 70.33 68.45 1dcf n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dcf n GLN 79 N -0.05 -0.97 -0.27 -2.82 1.13 -0.99 -5.07 117.38 108.34 1dcf n GLN 79 Ca 0.00 -0.25 0.00 0.00 -1.94 0.00 0.00 57.00 54.81 1dcf n GLN 79 Cb 0.17 -1.89 0.04 0.00 0.11 0.00 0.00 30.24 28.67 1dcf n GLN 79 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1dcf n ARG 80 N -2.41 -0.15 -2.22 -1.09 1.74 -1.26 -4.73 116.66 106.54 1dcf n ARG 80 Ca 0.05 1.11 -0.35 0.00 -0.77 0.00 0.00 57.85 57.88 1dcf n ARG 80 Cb 0.56 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1dcf n ARG 80 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1dcf s HIS 81 N -5.72 2.63 0.39 -1.55 3.76 -1.26 -4.99 115.29 108.55 1dcf s HIS 81 Ca -0.10 1.54 -0.26 0.00 -0.15 0.00 0.00 55.06 56.09 1dcf s HIS 81 Cb 0.16 -3.33 -0.11 0.00 1.11 0.00 0.00 32.58 30.41 1dcf s HIS 81 CO 0.52 -1.68 1.23 1.04 -0.85 0.00 0.00 174.74 175.00 1dcf n GLN 82 N -1.29 1.89 -2.46 1.40 1.13 -1.26 -4.86 117.38 111.93 1dcf n GLN 82 Ca 0.12 0.67 -0.39 0.00 -1.94 0.00 0.00 57.00 55.46 1dcf n GLN 82 Cb 0.50 -2.30 -0.04 0.00 0.11 0.00 0.00 30.24 28.51 1dcf n GLN 82 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 1dcf s ARG 83 N -2.06 4.40 0.81 -1.09 1.70 -1.26 -4.76 118.95 116.69 1dcf s ARG 83 Ca 0.60 1.73 -0.11 0.00 -0.47 0.00 0.00 55.73 57.47 1dcf s ARG 83 Cb -0.54 -2.91 0.08 0.00 -0.57 0.00 0.00 34.95 31.01 1dcf s ARG 83 CO 0.59 0.02 1.09 -1.25 -1.08 0.00 0.00 175.30 174.67 1dcf s PRO 84 N -1.90 1.97 0.26 3.89 0.04 -1.26 -4.98 135.00 133.01 1dcf s PRO 84 Ca 0.51 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1dcf s PRO 84 Cb -0.29 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1dcf s PRO 84 CO 0.37 -1.82 1.05 -0.51 0.04 0.00 0.00 177.00 176.13 1dcf s LEU 85 N -6.01 4.58 -0.20 -3.56 1.43 -0.75 -4.86 118.68 109.31 1dcf s LEU 85 Ca 0.62 2.16 -0.06 0.00 -1.03 0.00 0.00 54.13 55.82 1dcf s LEU 85 Cb -0.17 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1dcf s LEU 85 CO 0.56 -0.06 0.02 -0.76 0.23 0.00 0.00 176.35 176.35 1dcf s LEU 86 N -1.30 3.41 -0.09 1.79 1.43 -1.26 -0.29 118.68 122.37 1dcf s LEU 86 Ca 0.44 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 1dcf s LEU 86 Cb -0.30 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 1dcf s LEU 86 CO 0.38 0.09 -0.24 -0.69 0.23 0.00 0.00 176.35 176.12 1dcf s VAL 87 N 0.85 2.03 0.01 -1.59 1.01 0.62 -0.46 120.40 122.87 1dcf s VAL 87 Ca 0.02 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 1dcf s VAL 87 Cb -0.14 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1dcf s VAL 87 CO 0.02 0.56 0.33 0.00 0.00 0.00 0.00 175.10 176.00 1dcf s ALA 88 N 0.20 3.78 -0.28 5.51 0.00 -0.56 -0.09 121.76 130.31 1dcf s ALA 88 Ca -0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1dcf s ALA 88 Cb -0.17 -2.19 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1dcf s ALA 88 CO 0.07 0.58 0.01 -0.51 0.00 0.00 0.00 175.76 175.92 1dcf s LEU 89 N -1.55 3.68 0.20 0.00 1.43 0.10 0.77 118.68 123.31 1dcf s LEU 89 Ca 0.27 -0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1dcf s LEU 89 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1dcf s LEU 89 CO 0.14 -0.20 0.13 -0.94 0.23 0.00 0.00 176.35 175.72 1dcf s SER 90 N 1.37 0.17 0.00 2.29 1.04 -0.05 -1.33 113.70 117.19 1dcf s SER 90 Ca -0.01 -1.39 0.29 0.00 0.48 0.00 0.00 55.95 55.32 1dcf s SER 90 Cb -0.18 0.38 1.24 0.00 0.10 0.00 0.00 66.02 67.56 1dcf s SER 90 CO -0.01 -0.84 1.85 0.61 0.98 0.00 0.00 173.24 175.83 1dcf n GLY 91 N -0.28 -0.45 3.54 7.32 0.00 -1.26 0.12 105.19 114.19 1dcf n GLY 91 Ca 0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1dcf n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dcf s ASN 92 N -2.13 -0.12 -0.00 1.61 4.22 -1.26 -4.74 114.94 112.51 1dcf s ASN 92 Ca 0.37 -0.77 0.01 0.00 -2.14 0.00 0.00 52.86 50.33 1dcf s ASN 92 Cb 0.21 0.56 0.01 0.00 1.28 0.00 0.00 41.25 43.31 1dcf s ASN 92 CO 0.39 -1.08 0.66 0.35 -2.04 0.00 0.00 177.10 175.38 1dcf n THR 93 N -0.34 0.22 -0.35 0.54 -2.24 -1.26 -4.85 114.28 106.00 1dcf n THR 93 Ca -0.05 -0.23 -0.28 0.00 -2.27 0.00 0.00 64.05 61.22 1dcf n THR 93 Cb 0.62 0.82 0.26 0.00 -2.10 0.00 0.00 70.33 69.93 1dcf n THR 93 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1dcf n ASP 94 N -0.12 -3.45 -0.30 3.42 5.68 -1.26 -4.33 116.55 116.19 1dcf n ASP 94 Ca 0.00 -0.62 0.11 0.00 -0.50 0.00 0.00 54.79 53.79 1dcf n ASP 94 Cb 0.49 -1.01 0.28 0.00 -1.14 0.00 0.00 41.12 39.74 1dcf n ASP 94 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1dcf h LYS 95 N -3.24 0.43 -0.31 0.11 3.64 -1.99 -2.00 116.57 113.22 1dcf h LYS 95 Ca -0.43 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1dcf h LYS 95 Cb 1.24 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1dcf h LYS 95 CO 0.29 0.28 -0.19 1.03 -2.27 0.00 0.00 179.45 178.59 1dcf h SER 96 N 0.44 -0.69 0.24 4.20 0.87 -2.00 0.69 113.55 117.31 1dcf h SER 96 Ca 0.53 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 61.20 1dcf h SER 96 Cb 0.95 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 1dcf h SER 96 CO -0.49 -0.08 -0.35 0.74 -0.53 0.00 0.00 176.83 176.12 1dcf h THR 97 N -0.01 0.27 -0.57 2.23 2.02 -1.67 -2.81 112.91 112.38 1dcf h THR 97 Ca 0.05 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.34 1dcf h THR 97 Cb 0.14 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 66.72 1dcf h THR 97 CO -0.29 0.00 -0.06 0.11 0.37 0.00 0.00 175.52 175.65 1dcf h LYS 98 N -0.66 0.06 -0.23 6.66 6.56 -0.92 -0.66 116.57 127.38 1dcf h LYS 98 Ca 0.00 -0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.65 1dcf h LYS 98 Cb 0.63 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.22 1dcf h LYS 98 CO -0.13 0.04 -0.17 0.93 -2.06 0.00 0.00 179.45 178.06 1dcf h GLU 99 N 0.07 -0.16 -0.32 3.15 4.39 -0.77 -2.27 114.58 118.67 1dcf h GLU 99 Ca 0.28 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.02 1dcf h GLU 99 Cb 0.45 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1dcf h GLU 99 CO -0.52 -0.11 0.14 0.87 -1.16 0.00 0.00 179.01 178.23 1dcf h LYS 100 N -0.16 0.29 -0.85 2.33 1.57 -1.01 -2.35 116.57 116.40 1dcf h LYS 100 Ca 0.13 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1dcf h LYS 100 Cb 0.37 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 1dcf h LYS 100 CO -0.33 0.19 0.51 0.00 -0.57 0.00 0.00 179.45 179.25 1dcf h MET 102 N 0.92 -0.67 0.00 0.00 2.86 -1.04 0.38 114.93 117.37 1dcf h MET 102 Ca 0.38 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 58.06 1dcf h MET 102 Cb 0.23 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1dcf h MET 102 CO -0.19 -0.37 -0.05 0.77 1.06 0.00 0.00 176.91 178.12 1dcf h SER 103 N -0.91 0.00 -0.53 1.22 0.02 -1.34 -2.42 113.55 109.60 1dcf h SER 103 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1dcf h SER 103 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1dcf h SER 103 CO 0.12 0.05 0.00 0.49 -1.14 0.00 0.00 176.83 176.35 1dcf n PHE 104 N -3.56 0.70 -0.85 3.45 3.01 -0.13 -4.99 117.46 115.09 1dcf n PHE 104 Ca -0.02 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.01 1dcf n PHE 104 Cb 0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1dcf n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dcf n GLY 105 N 1.25 0.67 3.74 1.37 0.00 0.04 -4.15 105.19 108.10 1dcf n GLY 105 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1dcf n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dcf s LEU 106 N 0.00 4.44 0.17 0.99 2.01 0.11 -4.71 118.68 121.69 1dcf s LEU 106 Ca 0.00 2.28 0.20 0.00 0.01 0.00 0.00 54.13 56.62 1dcf s LEU 106 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 46.19 42.57 1dcf s LEU 106 CO 0.00 -0.42 1.04 0.44 1.01 0.00 0.00 176.35 178.43 1dcf h ASP 107 N 5.26 0.00 -5.20 2.29 3.32 -1.06 -3.40 116.42 117.63 1dcf h ASP 107 Ca -0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 1dcf h ASP 107 Cb 1.21 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.68 1dcf h ASP 107 CO 0.75 0.27 -0.07 -0.83 -1.72 0.00 0.00 179.24 177.64 1dcf s GLY 108 N -4.53 0.42 -0.09 2.75 0.00 -0.97 -5.02 107.32 99.87 1dcf s GLY 108 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.90 1dcf s GLY 108 CO 0.78 -0.54 0.21 0.54 0.00 0.00 0.00 173.10 174.09 1dcf s VAL 109 N -4.00 -0.03 -0.11 1.40 0.11 -1.26 -1.50 120.40 115.01 1dcf s VAL 109 Ca 0.20 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1dcf s VAL 109 Cb -0.01 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1dcf s VAL 109 CO 0.08 0.04 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.10 1dcf s LEU 110 N 0.86 3.31 0.04 2.54 1.43 0.23 -4.92 118.68 122.18 1dcf s LEU 110 Ca -0.06 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.79 1dcf s LEU 110 Cb -0.08 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 1dcf s LEU 110 CO -0.05 0.27 0.64 -1.48 0.23 0.00 0.00 176.35 175.96 1dcf s LEU 111 N -0.27 4.46 0.12 1.79 0.05 -1.26 -0.87 118.68 122.70 1dcf s LEU 111 Ca 0.05 1.28 0.02 0.00 0.05 0.00 0.00 54.13 55.52 1dcf s LEU 111 Cb -0.13 -3.01 -0.04 0.00 -2.05 0.00 0.00 46.19 40.97 1dcf s LEU 111 CO 0.02 0.13 0.24 -0.54 -0.55 0.00 0.00 176.35 175.65 1dcf s LYS 112 N -0.44 3.36 0.70 1.48 1.02 0.33 -3.86 119.74 122.33 1dcf s LYS 112 Ca 0.32 -0.58 -0.15 0.00 0.02 0.00 0.00 55.97 55.59 1dcf s LYS 112 Cb -0.19 -2.95 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1dcf s LYS 112 CO 0.19 0.55 1.14 -1.25 -0.92 0.00 0.00 175.35 175.06 1dcf s PRO 113 N -2.96 2.49 0.37 -1.68 0.04 -1.26 -4.73 135.00 127.26 1dcf s PRO 113 Ca 0.34 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1dcf s PRO 113 Cb -0.12 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1dcf s PRO 113 CO 0.28 -1.52 0.62 0.14 0.04 0.00 0.00 177.00 176.56 1dcf s VAL 114 N -2.26 5.02 0.05 -0.36 -7.23 -1.25 -5.08 120.40 109.29 1dcf s VAL 114 Ca 0.69 -0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.70 1dcf s VAL 114 Cb -0.23 -3.83 -0.02 0.00 0.56 0.00 0.00 36.38 32.86 1dcf s VAL 114 CO 0.44 -0.58 0.07 -0.94 -0.31 0.00 0.00 175.10 173.78 1dcf s SER 115 N -3.81 0.26 0.33 4.85 1.04 -1.26 -5.02 113.70 110.09 1dcf s SER 115 Ca 0.43 -0.69 0.12 0.00 0.48 0.00 0.00 55.95 56.30 1dcf s SER 115 Cb -0.10 0.23 0.98 0.00 0.10 0.00 0.00 66.02 67.24 1dcf s SER 115 CO 0.37 -0.56 1.69 -0.07 0.98 0.00 0.00 173.24 175.65 1dcf h LEU 116 N 3.42 0.56 0.29 2.42 3.38 -1.98 -1.19 115.31 122.19 1dcf h LEU 116 Ca -0.33 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1dcf h LEU 116 Cb 1.18 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1dcf h LEU 116 CO 0.55 -0.04 -0.33 0.44 0.09 0.00 0.00 178.44 179.15 1dcf h ASP 117 N 0.42 -0.93 0.62 -0.43 3.32 -2.00 0.16 116.42 117.58 1dcf h ASP 117 Ca 0.69 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.80 1dcf h ASP 117 Cb 1.46 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 41.32 1dcf h ASP 117 CO -0.55 -0.43 -0.07 -0.55 -1.72 0.00 0.00 179.24 175.92 1dcf h ASN 118 N -0.63 0.00 -0.05 6.45 7.08 -1.77 -2.77 115.58 123.89 1dcf h ASN 118 Ca -0.04 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.15 1dcf h ASN 118 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.80 1dcf h ASN 118 CO -0.07 0.07 -0.11 0.40 -2.08 0.00 0.00 177.43 175.65 1dcf h ILE 119 N 0.00 1.44 0.37 6.14 2.04 -0.85 -3.00 117.51 123.65 1dcf h ILE 119 Ca -0.00 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.40 1dcf h ILE 119 Cb 0.40 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1dcf h ILE 119 CO 0.01 0.40 -0.36 0.03 0.00 0.00 0.00 178.15 178.23 1dcf h ARG 120 N -0.37 -0.73 -0.67 2.37 3.08 -0.47 -0.90 114.38 116.71 1dcf h ARG 120 Ca -0.00 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.23 1dcf h ARG 120 Cb 0.70 0.17 -0.13 0.00 0.08 0.00 0.00 29.97 30.79 1dcf h ARG 120 CO 0.02 -0.48 -0.21 0.22 -1.07 0.00 0.00 179.97 178.45 1dcf h ASP 121 N -0.75 -0.75 0.37 7.04 3.58 -1.60 0.60 116.42 124.91 1dcf h ASP 121 Ca -0.03 0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1dcf h ASP 121 Cb 0.67 0.46 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1dcf h ASP 121 CO -0.06 -0.24 -0.18 0.58 -2.88 0.00 0.00 179.24 176.46 1dcf h VAL 122 N -0.04 0.61 -0.82 2.25 2.07 -1.37 0.12 116.25 119.08 1dcf h VAL 122 Ca 0.31 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.47 1dcf h VAL 122 Cb 0.51 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1dcf h VAL 122 CO -0.70 0.08 0.53 -0.07 0.02 0.00 0.00 177.57 177.44 1dcf h LEU 123 N -0.77 0.68 0.23 2.57 3.38 -0.68 0.21 115.31 120.94 1dcf h LEU 123 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1dcf h LEU 123 Cb 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1dcf h LEU 123 CO 0.08 0.40 -0.11 0.28 0.09 0.00 0.00 178.44 179.18 1dcf h SER 124 N 0.75 -0.26 0.22 -0.43 0.02 0.40 0.18 113.55 114.43 1dcf h SER 124 Ca 0.38 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1dcf h SER 124 Cb 0.47 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1dcf h SER 124 CO -0.15 -0.02 -0.19 0.44 -1.14 0.00 0.00 176.83 175.77 1dcf h ASP 125 N -0.51 -0.50 -0.36 3.07 3.45 -0.23 0.64 116.42 121.98 1dcf h ASP 125 Ca -0.03 0.04 0.05 0.00 0.43 0.00 0.00 57.03 57.52 1dcf h ASP 125 Cb 0.38 0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 39.28 1dcf h ASP 125 CO 0.05 -0.29 0.10 -0.07 -1.57 0.00 0.00 179.24 177.46 1dcf h LEU 126 N -0.43 0.08 -0.12 1.55 3.38 -0.60 -3.10 115.31 116.08 1dcf h LEU 126 Ca -0.01 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1dcf h LEU 126 Cb 0.39 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1dcf h LEU 126 CO -0.03 0.08 -0.84 -0.07 0.09 0.00 0.00 178.44 177.67 1dcf h LEU 127 N 0.24 0.00-10.00 1.67 3.38 -0.44 -3.47 115.31 106.69 1dcf h LEU 127 Ca 0.17 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.68 1dcf h LEU 127 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1dcf h LEU 127 CO -0.19 0.84 0.35 -1.61 0.09 0.00 0.00 178.44 177.92 1dcf s GLU 128 N -2.88 4.31 0.18 1.13 2.02 0.22 -4.99 118.70 118.69 1dcf s GLU 128 Ca 0.01 1.23 -0.33 0.00 0.02 0.00 0.00 54.97 55.90 1dcf s GLU 128 Cb 0.10 -2.39 -0.13 0.00 0.10 0.00 0.00 34.13 31.81 1dcf s GLU 128 CO 0.80 0.03 1.67 -2.30 0.02 0.00 0.00 175.26 175.48 1dcf n PRO 129 N -0.25 2.53 -4.39 0.39 -0.02 -1.26 -4.90 135.00 127.11 1dcf n PRO 129 Ca 0.05 0.91 -0.19 0.00 -2.02 0.00 0.00 63.50 62.26 1dcf n PRO 129 Cb 0.52 -2.73 -0.15 0.00 -0.02 0.00 0.00 33.50 31.13 1dcf n PRO 129 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1dcf s ARG 130 N 1.15 0.78 -0.04 -0.52 3.52 -1.26 -5.14 118.95 117.44 1dcf s ARG 130 Ca 0.77 -0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 55.98 1dcf s ARG 130 Cb -0.57 -0.75 0.03 0.00 -1.56 0.00 0.00 34.95 32.09 1dcf s ARG 130 CO 0.35 0.20 0.01 0.08 -0.81 0.00 0.00 175.30 175.13 1dcf s VAL 131 N -0.31 0.19 -0.65 7.11 1.01 -1.26 -5.09 120.40 121.40 1dcf s VAL 131 Ca 0.03 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 1dcf s VAL 131 Cb -0.04 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.09 1dcf s VAL 131 CO -0.00 0.18 0.96 -0.76 0.00 0.00 0.00 175.10 175.47 1dcf s LEU 132 N 1.37 4.38 0.84 3.92 1.43 -1.26 -5.02 118.68 124.34 1dcf s LEU 132 Ca -0.05 -0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 52.00 1dcf s LEU 132 Cb -0.13 -2.45 0.14 0.00 0.03 0.00 0.00 46.19 43.79 1dcf s LEU 132 CO -0.02 -1.42 1.17 -0.72 0.23 0.00 0.00 176.35 175.59 1dcf s TYR 133 N 4.02 2.00 0.00 0.29 -0.00 -1.26 -5.39 117.35 117.01 1dcf s TYR 133 Ca 0.22 0.25 0.00 0.00 -0.00 0.00 0.00 57.07 57.54 1dcf s TYR 133 Cb -0.17 -3.61 0.00 0.00 -0.00 0.00 0.00 41.96 38.18 1dcf s TYR 133 CO 0.11 -2.09 0.00 0.39 -0.00 0.00 0.00 175.55 173.95