#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ocf n ASP 3 N 0.00 0.00 -3.79 4.04 5.68 -1.26 -3.63 116.55 117.59 2ocf n ASP 3 Ca 0.00 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.17 2ocf n ASP 3 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 2ocf n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2ocf s VAL 4 N 0.00 0.08 0.41 2.12 1.01 -1.26 -4.79 120.40 117.97 2ocf s VAL 4 Ca 0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 2ocf s VAL 4 Cb 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 36.38 35.49 2ocf s VAL 4 CO 0.00 -0.37 0.84 -2.65 0.00 0.00 0.00 175.10 172.93 2ocf n PRO 5 N 0.91 1.04 -4.09 2.72 -0.02 -1.26 -4.49 135.00 129.81 2ocf n PRO 5 Ca -0.20 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.53 2ocf n PRO 5 Cb 0.58 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 2ocf n PRO 5 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2ocf s THR 6 N -1.32 0.00 -1.27 3.45 -1.32 0.05 -4.72 115.64 110.51 2ocf s THR 6 Ca 0.63 -1.63 -0.01 0.00 -1.21 0.00 0.00 61.69 59.47 2ocf s THR 6 Cb -0.59 -2.43 -0.00 0.00 -1.51 0.00 0.00 72.50 67.96 2ocf s THR 6 CO 0.57 0.00 0.78 1.17 -2.21 0.00 0.00 174.62 174.93 2ocf n LYS 7 N -0.43 -5.20 -2.45 7.08 4.81 -1.26 0.95 118.16 121.67 2ocf n LYS 7 Ca 0.00 0.68 -0.41 0.00 -0.87 0.00 0.00 58.31 57.71 2ocf n LYS 7 Cb 0.63 -5.34 -0.03 0.00 0.02 0.00 0.00 35.03 30.30 2ocf n LYS 7 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2ocf s LEU 8 N -6.56 4.43 0.04 3.14 1.98 -1.26 -3.72 118.68 116.73 2ocf s LEU 8 Ca 0.02 2.09 -0.27 0.00 -2.89 0.00 0.00 54.13 53.07 2ocf s LEU 8 Cb -0.00 -3.59 0.09 0.00 0.66 0.00 0.00 46.19 43.34 2ocf s LEU 8 CO 0.79 -0.36 0.85 -1.83 -1.89 0.00 0.00 176.35 173.92 2ocf s GLU 9 N 0.25 0.95 -0.29 1.98 -1.05 -0.04 -4.96 118.70 115.54 2ocf s GLU 9 Ca 0.54 -0.38 -0.23 0.00 -0.15 0.00 0.00 54.97 54.74 2ocf s GLU 9 Cb -0.30 0.42 -0.00 0.00 -0.44 0.00 0.00 34.13 33.81 2ocf s GLU 9 CO 0.33 -0.42 0.79 0.08 0.95 0.00 0.00 175.26 176.99 2ocf s VAL 10 N -3.25 4.81 -0.12 1.83 1.01 -1.26 -1.01 120.40 122.41 2ocf s VAL 10 Ca 0.05 1.25 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 2ocf s VAL 10 Cb -0.01 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2ocf s VAL 10 CO -0.08 -0.21 0.13 0.58 0.00 0.00 0.00 175.10 175.52 2ocf h VAL 11 N 5.56 0.37 -3.47 2.92 2.07 -1.28 -3.49 116.25 118.94 2ocf h VAL 11 Ca -0.24 -1.30 -0.39 0.00 0.82 0.00 0.00 66.70 65.59 2ocf h VAL 11 Cb 1.10 0.72 -0.14 0.00 -1.52 0.00 0.00 31.29 31.44 2ocf h VAL 11 CO 0.88 0.13 -0.61 0.00 0.02 0.00 0.00 177.57 177.98 2ocf s ALA 12 N -2.50 1.93 -0.27 1.67 0.00 -1.16 -5.01 121.76 116.41 2ocf s ALA 12 Ca -0.06 -1.93 -0.20 0.00 0.00 0.00 0.00 51.96 49.77 2ocf s ALA 12 Cb -0.00 0.91 0.07 0.00 0.00 0.00 0.00 23.12 24.10 2ocf s ALA 12 CO 0.18 -0.41 0.68 0.00 0.00 0.00 0.00 175.76 176.22 2ocf s ALA 13 N -3.60 -1.77 0.44 0.00 0.00 -1.26 -1.97 121.76 113.60 2ocf s ALA 13 Ca 0.37 2.14 0.07 0.00 0.00 0.00 0.00 51.96 54.55 2ocf s ALA 13 Cb 0.08 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2ocf s ALA 13 CO 0.14 -0.35 0.32 0.95 0.00 0.00 0.00 175.76 176.83 2ocf s THR 14 N 0.93 2.37 0.48 0.00 -4.23 -0.24 -4.98 115.64 109.97 2ocf s THR 14 Ca -0.04 -1.48 0.36 0.00 -1.18 0.00 0.00 61.69 59.35 2ocf s THR 14 Cb -0.05 -2.85 0.56 0.00 1.34 0.00 0.00 72.50 71.51 2ocf s THR 14 CO -0.08 0.00 1.63 -0.65 -0.54 0.00 0.00 174.62 174.98 2ocf h PRO 15 N 1.10 0.06 0.00 3.99 0.11 -1.98 -3.18 132.00 132.10 2ocf h PRO 15 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2ocf h PRO 15 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2ocf h PRO 15 CO 0.61 0.04 -0.53 0.25 -0.21 0.00 0.00 178.00 178.16 2ocf n THR 16 N -4.43 0.00 -4.31 -1.15 -2.24 -1.26 -3.43 114.28 97.46 2ocf n THR 16 Ca 0.38 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.66 2ocf n THR 16 Cb 1.55 0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 70.42 2ocf n THR 16 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2ocf s SER 17 N -1.62 2.60 -0.01 3.42 0.01 -1.20 -1.36 113.70 115.53 2ocf s SER 17 Ca 0.00 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.53 2ocf s SER 17 Cb 0.01 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.08 2ocf s SER 17 CO 0.07 0.01 -0.14 -0.76 0.41 0.00 0.00 173.24 172.83 2ocf s LEU 18 N -2.29 2.02 -0.15 2.44 1.43 0.03 -1.08 118.68 121.08 2ocf s LEU 18 Ca 0.11 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2ocf s LEU 18 Cb -0.08 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 2ocf s LEU 18 CO 0.05 0.17 -0.13 -0.22 0.23 0.00 0.00 176.35 176.45 2ocf s LEU 19 N -0.32 2.62 0.23 1.79 2.96 -0.83 -0.39 118.68 124.73 2ocf s LEU 19 Ca 0.05 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 2ocf s LEU 19 Cb -0.06 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2ocf s LEU 19 CO -0.01 0.11 -0.17 0.27 -1.32 0.00 0.00 176.35 175.23 2ocf s ILE 20 N 0.68 2.02 0.06 6.68 -4.36 -0.24 -0.74 121.20 125.30 2ocf s ILE 20 Ca -0.07 -2.24 -0.06 0.00 -0.26 0.00 0.00 60.65 58.03 2ocf s ILE 20 Cb -0.15 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 2ocf s ILE 20 CO 0.02 -0.48 0.10 -0.94 0.24 0.00 0.00 174.94 173.88 2ocf s SER 21 N -3.29 0.23 0.08 4.36 1.04 -0.18 -1.94 113.70 114.01 2ocf s SER 21 Ca 0.24 -0.69 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 2ocf s SER 21 Cb -0.03 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 2ocf s SER 21 CO 0.10 -0.61 0.15 -1.66 0.98 0.00 0.00 173.24 172.19 2ocf s TRP 22 N -3.39 0.23 -0.34 5.02 -2.14 -1.07 -0.86 118.94 116.38 2ocf s TRP 22 Ca 0.02 -0.68 -0.26 0.00 2.66 0.00 0.00 56.10 57.84 2ocf s TRP 22 Cb 0.03 -0.12 0.01 0.00 -3.10 0.00 0.00 33.47 30.29 2ocf s TRP 22 CO -0.08 -0.51 0.92 -0.51 -2.66 0.00 0.00 176.95 174.10 2ocf s ASP 23 N -2.87 6.73 0.93 -2.66 -0.00 0.27 -4.83 116.67 114.24 2ocf s ASP 23 Ca 0.05 0.70 -0.10 0.00 -0.00 0.00 0.00 52.55 53.20 2ocf s ASP 23 Cb 0.05 -2.47 0.16 0.00 -0.00 0.00 0.00 42.92 40.67 2ocf s ASP 23 CO -0.11 -0.80 1.14 0.00 -0.00 0.00 0.00 175.17 175.41 2ocf n ALA 24 N 6.64 -0.93 -2.09 5.23 0.00 -1.26 -0.77 120.51 127.33 2ocf n ALA 24 Ca 0.07 -0.59 -0.28 0.00 0.00 0.00 0.00 53.44 52.64 2ocf n ALA 24 Cb 0.48 -2.19 0.02 0.00 0.00 0.00 0.00 19.45 17.76 2ocf n ALA 24 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ocf s PRO 25 N -4.62 3.19 -1.40 0.00 0.04 -1.26 -4.72 135.00 126.23 2ocf s PRO 25 Ca 0.67 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 2ocf s PRO 25 Cb -0.23 -2.25 0.08 0.00 0.04 0.00 0.00 34.50 32.14 2ocf s PRO 25 CO 0.58 -0.57 2.11 0.00 0.04 0.00 0.00 177.00 179.16 2ocf n ALA 26 N -2.56 5.48 -3.61 8.56 0.00 -1.24 -4.85 120.51 122.29 2ocf n ALA 26 Ca 0.04 -4.03 -0.09 0.00 0.00 0.00 0.00 53.44 49.36 2ocf n ALA 26 Cb 0.56 -3.35 -0.06 0.00 0.00 0.00 0.00 19.45 16.60 2ocf n ALA 26 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ocf s VAL 27 N 2.25 0.00 -0.43 0.00 1.01 -1.26 -4.94 120.40 117.02 2ocf s VAL 27 Ca 0.44 0.00 -0.44 0.00 0.00 0.00 0.00 61.98 61.99 2ocf s VAL 27 Cb 0.12 -1.00 -0.18 0.00 0.00 0.00 0.00 36.38 35.32 2ocf s VAL 27 CO -0.06 0.00 1.78 0.41 0.00 0.00 0.00 175.10 177.24 2ocf n THR 28 N 1.56 0.10 -3.92 3.92 -1.04 -1.26 -4.93 114.28 108.71 2ocf n THR 28 Ca -0.11 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.52 2ocf n THR 28 Cb 0.57 -0.78 -0.14 0.00 -1.82 0.00 0.00 70.33 68.16 2ocf n THR 28 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2ocf s VAL 29 N 4.03 3.21 0.11 12.58 1.01 -1.26 -4.90 120.40 135.18 2ocf s VAL 29 Ca 1.06 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 62.17 2ocf s VAL 29 Cb -1.34 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 2ocf s VAL 29 CO 0.72 0.37 1.67 0.03 0.00 0.00 0.00 175.10 177.90 2ocf h ARG 30 N 8.09 -0.27 -2.36 2.72 2.47 -1.56 -3.36 114.38 120.11 2ocf h ARG 30 Ca -0.40 0.02 0.18 0.00 -1.26 0.00 0.00 59.98 58.52 2ocf h ARG 30 Cb 1.15 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.47 2ocf h ARG 30 CO 0.60 -0.18 0.56 1.52 0.56 0.00 0.00 179.97 183.03 2ocf s TYR 31 N -6.13 -0.02 0.24 3.04 1.13 -1.15 -3.32 117.35 111.14 2ocf s TYR 31 Ca -0.15 -0.31 0.08 0.00 -1.41 0.00 0.00 57.07 55.28 2ocf s TYR 31 Cb 0.08 0.66 -0.04 0.00 -1.10 0.00 0.00 41.96 41.56 2ocf s TYR 31 CO 0.66 -0.83 0.07 0.71 -2.51 0.00 0.00 175.55 173.65 2ocf s TYR 32 N -2.67 2.88 -0.06 -3.49 1.51 0.64 -0.37 117.35 115.80 2ocf s TYR 32 Ca 0.17 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.13 2ocf s TYR 32 Cb -0.01 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.52 2ocf s TYR 32 CO 0.03 0.57 -0.25 1.03 -1.11 0.00 0.00 175.55 175.82 2ocf s ARG 33 N -3.59 2.55 -0.14 -0.62 1.81 0.15 -1.45 118.95 117.66 2ocf s ARG 33 Ca 0.31 -0.91 -0.03 0.00 -1.72 0.00 0.00 55.73 53.39 2ocf s ARG 33 Cb -0.07 -2.16 -0.03 0.00 -0.45 0.00 0.00 34.95 32.24 2ocf s ARG 33 CO 0.21 0.38 -0.05 0.42 -0.68 0.00 0.00 175.30 175.58 2ocf s ILE 34 N -0.16 3.75 0.01 1.52 -1.09 -0.15 0.10 121.20 125.19 2ocf s ILE 34 Ca -0.04 -0.42 0.07 0.00 -2.23 0.00 0.00 60.65 58.04 2ocf s ILE 34 Cb -0.14 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.10 2ocf s ILE 34 CO 0.04 0.52 -0.21 0.42 -1.23 0.00 0.00 174.94 174.47 2ocf s THR 35 N 0.17 1.70 0.03 2.92 -4.23 0.10 -1.32 115.64 115.00 2ocf s THR 35 Ca -0.03 -1.06 -0.03 0.00 -1.18 0.00 0.00 61.69 59.40 2ocf s THR 35 Cb -0.14 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 2ocf s THR 35 CO 0.03 0.35 0.02 -0.72 -0.54 0.00 0.00 174.62 173.76 2ocf s TYR 36 N -0.65 0.25 0.02 3.99 -0.85 -0.58 -0.76 117.35 118.77 2ocf s TYR 36 Ca 0.08 -0.55 -0.27 0.00 -0.52 0.00 0.00 57.07 55.81 2ocf s TYR 36 Cb -0.09 -0.19 0.09 0.00 0.38 0.00 0.00 41.96 42.16 2ocf s TYR 36 CO 0.01 -0.27 0.76 0.20 -1.52 0.00 0.00 175.55 174.72 2ocf s GLY 37 N -1.82 -0.51 0.19 5.49 0.00 -0.82 -1.32 107.32 108.52 2ocf s GLY 37 Ca -0.10 1.04 -0.30 0.00 0.00 0.00 0.00 44.72 45.36 2ocf s GLY 37 CO -0.03 0.50 1.37 1.85 0.00 0.00 0.00 173.10 176.80 2ocf s GLU 38 N -2.65 4.34 0.25 2.90 2.12 -1.26 0.66 118.70 125.06 2ocf s GLU 38 Ca -0.01 2.13 -0.31 0.00 0.36 0.00 0.00 54.97 57.15 2ocf s GLU 38 Cb -0.01 -3.19 -0.11 0.00 0.26 0.00 0.00 34.13 31.09 2ocf s GLU 38 CO -0.05 -0.35 1.58 0.99 -0.54 0.00 0.00 175.26 176.89 2ocf s THR 39 N 0.38 2.28 -0.44 -1.70 2.01 0.40 -2.33 115.64 116.24 2ocf s THR 39 Ca 0.60 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.82 2ocf s THR 39 Cb -0.38 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 68.99 2ocf s THR 39 CO 0.37 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 2ocf n GLY 40 N 2.73 -0.02 0.08 4.40 0.00 -1.26 -4.75 105.19 106.38 2ocf n GLY 40 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 2ocf n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ocf h GLY 41 N 0.00 0.09 0.00 -0.02 0.00 -1.84 -3.48 103.07 97.82 2ocf h GLY 41 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2ocf h GLY 41 CO 0.13 0.18 0.00 -2.01 0.00 0.00 0.00 176.54 174.84 2ocf n ASN 42 N -3.46 0.00 -3.71 0.19 4.05 -1.26 -5.04 115.26 106.03 2ocf n ASN 42 Ca -0.02 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.71 2ocf n ASN 42 Cb 0.92 0.00 0.29 0.00 1.23 0.00 0.00 39.78 42.22 2ocf n ASN 42 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2ocf n SER 43 N 0.00 -3.34 -4.75 1.20 7.64 -1.26 -4.98 113.62 108.12 2ocf n SER 43 Ca 0.00 -0.63 -0.37 0.00 1.01 0.00 0.00 58.87 58.88 2ocf n SER 43 Cb 0.00 -1.10 0.03 0.00 -1.01 0.00 0.00 64.21 62.13 2ocf n SER 43 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2ocf s PRO 44 N -4.82 3.18 0.18 1.43 0.02 -1.26 -5.01 135.00 128.73 2ocf s PRO 44 Ca 0.68 1.98 0.02 0.00 0.02 0.00 0.00 61.00 63.70 2ocf s PRO 44 Cb -0.17 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 2ocf s PRO 44 CO 0.61 -1.08 0.33 0.14 -0.33 0.00 0.00 177.00 176.67 2ocf s VAL 45 N -1.46 5.28 0.46 3.83 -7.23 -1.26 -4.92 120.40 115.10 2ocf s VAL 45 Ca 0.73 -0.65 -0.03 0.00 -1.81 0.00 0.00 61.98 60.22 2ocf s VAL 45 Cb -0.34 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 32.81 2ocf s VAL 45 CO 0.39 -0.17 0.72 -1.10 -0.31 0.00 0.00 175.10 174.64 2ocf s GLN 46 N -3.42 3.31 -0.17 4.82 1.11 -0.44 -4.93 119.66 119.94 2ocf s GLN 46 Ca 0.36 -0.12 -0.19 0.00 0.01 0.00 0.00 55.36 55.41 2ocf s GLN 46 Cb -0.11 -2.47 0.05 0.00 -1.01 0.00 0.00 33.01 29.48 2ocf s GLN 46 CO 0.29 -0.22 0.53 -2.00 0.01 0.00 0.00 175.29 173.89 2ocf s GLU 47 N -4.64 0.67 0.23 2.91 2.12 -1.26 -1.52 118.70 117.20 2ocf s GLU 47 Ca 0.47 0.61 -0.15 0.00 0.36 0.00 0.00 54.97 56.25 2ocf s GLU 47 Cb -0.10 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.62 2ocf s GLU 47 CO 0.41 -0.11 0.51 -0.59 -0.54 0.00 0.00 175.26 174.94 2ocf s PHE 48 N -0.01 0.13 -0.04 5.30 -0.12 -0.44 -4.98 117.98 117.82 2ocf s PHE 48 Ca -0.02 -0.50 0.02 0.00 -0.05 0.00 0.00 56.93 56.38 2ocf s PHE 48 Cb -0.03 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.63 2ocf s PHE 48 CO 0.02 -0.97 -0.07 0.99 -0.05 0.00 0.00 175.22 175.13 2ocf s THR 49 N -3.95 3.64 -0.06 -4.49 2.01 -1.26 -0.97 115.64 110.56 2ocf s THR 49 Ca 0.16 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.57 2ocf s THR 49 Cb -0.01 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.99 2ocf s THR 49 CO 0.04 0.52 -0.12 0.54 -0.69 0.00 0.00 174.62 174.91 2ocf s VAL 50 N -0.88 1.10 0.32 3.82 0.11 -0.53 -4.98 120.40 119.36 2ocf s VAL 50 Ca 0.14 -0.48 -0.27 0.00 -2.93 0.00 0.00 61.98 58.45 2ocf s VAL 50 Cb -0.11 -0.99 -0.13 0.00 -1.53 0.00 0.00 36.38 33.61 2ocf s VAL 50 CO 0.04 0.34 0.93 -2.65 -3.33 0.00 0.00 175.10 170.43 2ocf n PRO 51 N 3.66 1.20 0.12 1.54 -0.02 -1.26 -0.26 135.00 139.97 2ocf n PRO 51 Ca -0.22 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 2ocf n PRO 51 Cb 0.52 -1.80 0.47 0.00 -0.02 0.00 0.00 33.50 32.68 2ocf n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ocf n GLY 52 N 1.31 -1.27 0.18 -1.23 0.00 -1.21 -1.26 105.19 101.72 2ocf n GLY 52 Ca 0.10 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2ocf n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ocf h SER 53 N 0.00 0.00 -4.07 1.61 4.64 -1.88 -3.44 113.55 110.42 2ocf h SER 53 Ca 0.00 -0.01 -0.46 0.00 -0.47 0.00 0.00 61.79 60.85 2ocf h SER 53 Cb 0.37 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.54 2ocf h SER 53 CO 0.00 0.00 0.29 -0.54 -0.87 0.00 0.00 176.83 175.72 2ocf s LYS 54 N -3.19 2.21 0.00 4.77 1.02 -0.39 -5.01 119.74 119.16 2ocf s LYS 54 Ca 0.08 -0.08 0.01 0.00 0.02 0.00 0.00 55.97 55.99 2ocf s LYS 54 Cb 0.07 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.29 2ocf s LYS 54 CO 0.66 -1.30 0.97 -1.13 -0.92 0.00 0.00 175.35 173.62 2ocf n SER 55 N -3.03 -0.89 -3.73 2.83 3.41 -1.26 -4.97 113.62 105.98 2ocf n SER 55 Ca 0.08 -1.93 -0.10 0.00 -0.26 0.00 0.00 58.87 56.66 2ocf n SER 55 Cb 0.60 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.77 2ocf n SER 55 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2ocf s THR 56 N 0.00 0.08 -0.14 6.66 -4.23 -1.26 -2.58 115.64 114.16 2ocf s THR 56 Ca 0.01 -0.82 -0.28 0.00 -1.18 0.00 0.00 61.69 59.42 2ocf s THR 56 Cb 0.01 -1.35 0.07 0.00 1.34 0.00 0.00 72.50 72.57 2ocf s THR 56 CO -0.00 -0.34 0.68 0.00 -0.54 0.00 0.00 174.62 174.41 2ocf s ALA 57 N -3.85 -1.72 0.15 3.99 0.00 -0.82 -5.00 121.76 114.51 2ocf s ALA 57 Ca 0.06 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.59 2ocf s ALA 57 Cb 0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 2ocf s ALA 57 CO -0.09 -0.35 0.34 0.95 0.00 0.00 0.00 175.76 176.61 2ocf s THR 58 N -0.49 5.24 -0.08 0.00 -4.23 -1.26 -1.08 115.64 113.74 2ocf s THR 58 Ca -0.06 -0.26 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 2ocf s THR 58 Cb -0.02 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.15 2ocf s THR 58 CO 0.06 -0.03 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.33 2ocf s ILE 59 N -1.71 1.40 0.32 2.99 1.01 0.47 -4.97 121.20 120.71 2ocf s ILE 59 Ca 0.38 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.44 2ocf s ILE 59 Cb -0.12 -1.26 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 2ocf s ILE 59 CO 0.27 0.42 0.07 -0.94 0.00 0.00 0.00 174.94 174.76 2ocf s SER 60 N 0.66 2.12 -0.69 3.58 1.04 -1.26 -0.79 113.70 118.35 2ocf s SER 60 Ca -0.14 -1.41 -0.02 0.00 0.48 0.00 0.00 55.95 54.86 2ocf s SER 60 Cb -0.16 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2ocf s SER 60 CO 0.04 -0.67 0.29 0.61 0.98 0.00 0.00 173.24 174.49 2ocf n GLY 61 N -0.65 0.15 3.88 7.32 0.00 -0.97 -4.97 105.19 109.95 2ocf n GLY 61 Ca -0.02 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2ocf n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ocf s LEU 62 N -3.29 4.06 -0.24 0.99 1.43 -0.47 -5.04 118.68 116.12 2ocf s LEU 62 Ca 0.14 0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 53.92 2ocf s LEU 62 Cb -0.06 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.39 2ocf s LEU 62 CO 0.18 -0.19 1.08 -0.54 0.23 0.00 0.00 176.35 177.11 2ocf s LYS 63 N -3.23 4.22 0.38 1.70 1.02 -1.26 -4.52 119.74 118.05 2ocf s LYS 63 Ca 0.48 1.35 -0.25 0.00 0.02 0.00 0.00 55.97 57.57 2ocf s LYS 63 Cb -0.11 -3.68 -0.12 0.00 -0.52 0.00 0.00 37.83 33.41 2ocf s LYS 63 CO 0.25 -0.69 0.95 -2.30 -0.92 0.00 0.00 175.35 172.64 2ocf n PRO 64 N 6.46 1.26 -0.85 -1.68 -0.02 -1.22 -2.19 135.00 136.75 2ocf n PRO 64 Ca 0.12 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2ocf n PRO 64 Cb 0.46 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2ocf n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ocf n GLY 65 N 1.27 0.48 3.93 -1.23 0.00 -1.04 -4.96 105.19 103.64 2ocf n GLY 65 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2ocf n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ocf s VAL 66 N -2.36 5.05 -0.29 1.61 1.01 -0.93 -4.59 120.40 119.89 2ocf s VAL 66 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 2ocf s VAL 66 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2ocf s VAL 66 CO 0.00 -0.58 0.18 -0.62 0.00 0.00 0.00 175.10 174.08 2ocf s ASP 67 N -3.88 5.87 0.13 3.32 2.15 -1.26 0.11 116.67 123.11 2ocf s ASP 67 Ca 0.42 -0.17 0.04 0.00 0.43 0.00 0.00 52.55 53.28 2ocf s ASP 67 Cb -0.10 -2.09 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 2ocf s ASP 67 CO 0.37 -0.10 0.13 -0.31 -0.17 0.00 0.00 175.17 175.09 2ocf s TYR 68 N 1.72 3.19 -0.19 -5.34 2.02 0.35 0.15 117.35 119.25 2ocf s TYR 68 Ca 0.07 0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 56.74 2ocf s TYR 68 Cb -0.16 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 2ocf s TYR 68 CO 0.09 0.52 -0.01 0.99 -1.57 0.00 0.00 175.55 175.57 2ocf s THR 69 N -1.63 3.91 -0.05 -0.71 2.01 0.21 -0.83 115.64 118.54 2ocf s THR 69 Ca 0.31 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.02 2ocf s THR 69 Cb -0.11 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 2ocf s THR 69 CO 0.23 0.45 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.80 2ocf s ILE 70 N 0.84 2.74 -0.03 1.82 1.01 0.10 -1.95 121.20 125.74 2ocf s ILE 70 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2ocf s ILE 70 Cb -0.14 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.30 2ocf s ILE 70 CO 0.02 0.58 0.06 -0.89 0.00 0.00 0.00 174.94 174.71 2ocf s THR 71 N -0.53 -0.03 -0.18 2.92 2.01 0.06 -0.74 115.64 119.15 2ocf s THR 71 Ca 0.07 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 2ocf s THR 71 Cb -0.11 -0.11 0.00 0.00 0.01 0.00 0.00 72.50 72.29 2ocf s THR 71 CO 0.01 0.05 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.18 2ocf s VAL 72 N 0.65 2.81 -0.18 3.82 1.01 -1.17 -0.72 120.40 126.61 2ocf s VAL 72 Ca -0.05 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2ocf s VAL 72 Cb -0.07 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2ocf s VAL 72 CO -0.02 0.49 0.00 -0.31 0.00 0.00 0.00 175.10 175.26 2ocf s TYR 73 N 1.14 3.09 -0.38 5.22 2.02 0.29 -4.38 117.35 124.34 2ocf s TYR 73 Ca 0.01 -0.26 -0.19 0.00 -0.37 0.00 0.00 57.07 56.26 2ocf s TYR 73 Cb -0.14 -2.04 0.01 0.00 -0.40 0.00 0.00 41.96 39.38 2ocf s TYR 73 CO -0.04 -0.07 0.54 0.00 -1.57 0.00 0.00 175.55 174.41 2ocf s ALA 74 N 0.63 3.44 -0.36 3.71 0.00 -1.26 0.30 121.76 128.20 2ocf s ALA 74 Ca -0.00 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 2ocf s ALA 74 Cb -0.14 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2ocf s ALA 74 CO 0.02 -1.41 0.65 0.08 0.00 0.00 0.00 175.76 175.10 2ocf s VAL 75 N 2.48 4.87 0.00 0.00 1.01 0.51 -4.93 120.40 124.33 2ocf s VAL 75 Ca 0.19 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2ocf s VAL 75 Cb -0.15 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2ocf s VAL 75 CO 0.15 -0.35 0.00 0.41 0.00 0.00 0.00 175.10 175.31 2ocf n THR 76 N 5.63 0.00 -4.24 3.92 -1.04 -1.26 -1.51 114.28 115.77 2ocf n THR 76 Ca -0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 2ocf n THR 76 Cb 0.48 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.89 2ocf n THR 76 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2ocf s GLY 77 N 0.00 1.32 0.15 3.41 0.00 -1.26 -4.72 107.32 106.22 2ocf s GLY 77 Ca 0.00 -1.64 -0.22 0.00 0.00 0.00 0.00 44.72 42.85 2ocf s GLY 77 CO 0.00 -1.51 1.62 -2.00 0.00 0.00 0.00 173.10 171.21 2ocf h LEU 78 N 2.64 -0.82 0.60 0.66 6.46 -2.01 -0.39 115.31 122.47 2ocf h LEU 78 Ca -0.37 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 2ocf h LEU 78 Cb 1.22 0.39 -0.01 0.00 -0.73 0.00 0.00 40.66 41.53 2ocf h LEU 78 CO 0.61 -0.28 -0.39 0.08 -0.62 0.00 0.00 178.44 177.84 2ocf h ARG 79 N -0.24 -0.91 -0.25 1.25 0.11 -1.99 -0.51 114.38 111.84 2ocf h ARG 79 Ca 0.15 0.06 0.06 0.00 0.10 0.00 0.00 59.98 60.35 2ocf h ARG 79 Cb 0.47 0.21 -0.07 0.00 1.11 0.00 0.00 29.97 31.69 2ocf h ARG 79 CO -0.42 -0.61 -0.23 -0.07 0.10 0.00 0.00 179.97 178.74 2ocf h LEU 80 N -0.94 -0.75 -0.87 0.08 -0.00 -1.96 0.55 115.31 111.41 2ocf h LEU 80 Ca -0.07 0.14 0.13 0.00 -0.00 0.00 0.00 57.88 58.07 2ocf h LEU 80 Cb 0.77 0.36 -0.09 0.00 -0.00 0.00 0.00 40.66 41.70 2ocf h LEU 80 CO 0.06 -0.27 0.48 0.24 -0.00 0.00 0.00 178.44 178.96 2ocf h MET 81 N -0.24 0.72 0.86 1.13 2.86 -0.83 1.29 114.93 120.73 2ocf h MET 81 Ca 0.14 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 2ocf h MET 81 Cb 0.45 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.96 2ocf h MET 81 CO -0.39 0.48 -0.41 -0.07 1.06 0.00 0.00 176.91 177.57 2ocf h LEU 82 N 0.74 -0.98 -1.14 1.22 3.38 -0.28 -3.06 115.31 115.19 2ocf h LEU 82 Ca 0.45 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.67 2ocf h LEU 82 Cb 0.54 0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 2ocf h LEU 82 CO -0.31 -0.63 0.62 0.00 0.09 0.00 0.00 178.44 178.21 2ocf h ALA 83 N -1.30 1.87 -2.04 1.53 0.00 0.21 -3.44 119.26 116.09 2ocf h ALA 83 Ca -0.12 0.07 -0.46 0.00 0.00 0.00 0.00 54.91 54.41 2ocf h ALA 83 Cb 0.89 -0.04 0.22 0.00 0.00 0.00 0.00 17.79 18.86 2ocf h ALA 83 CO 0.19 -0.25 -0.28 0.41 0.00 0.00 0.00 179.25 179.33 2ocf n GLY 84 N -1.38 -1.98 3.93 0.00 0.00 0.43 -5.02 105.19 101.17 2ocf n GLY 84 Ca 0.24 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 2ocf n GLY 84 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ocf s SER 85 N -2.27 5.27 0.21 1.61 0.15 -1.26 -5.00 113.70 112.41 2ocf s SER 85 Ca 0.65 0.57 -0.32 0.00 0.70 0.00 0.00 55.95 57.55 2ocf s SER 85 Cb -0.22 -1.42 -0.14 0.00 -1.71 0.00 0.00 66.02 62.53 2ocf s SER 85 CO 0.65 -1.28 1.38 1.17 1.20 0.00 0.00 173.24 176.36 2ocf n LYS 86 N -2.70 1.84 -2.11 5.44 4.81 -1.26 -4.94 118.16 119.23 2ocf n LYS 86 Ca 0.06 0.66 -0.35 0.00 -0.87 0.00 0.00 58.31 57.80 2ocf n LYS 86 Cb 0.59 -2.30 0.02 0.00 0.02 0.00 0.00 35.03 33.36 2ocf n LYS 86 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2ocf s PRO 87 N -0.18 3.15 0.02 1.64 0.04 -1.26 -4.98 135.00 133.43 2ocf s PRO 87 Ca 0.71 1.67 -0.26 0.00 0.04 0.00 0.00 61.00 63.17 2ocf s PRO 87 Cb -0.71 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 2ocf s PRO 87 CO 0.48 -1.03 0.79 -1.50 0.04 0.00 0.00 177.00 175.79 2ocf s ILE 88 N -1.76 4.79 0.15 0.56 2.07 -1.26 -4.97 121.20 120.77 2ocf s ILE 88 Ca 0.74 1.68 0.04 0.00 -1.41 0.00 0.00 60.65 61.69 2ocf s ILE 88 Cb -0.26 -4.14 -0.04 0.00 0.13 0.00 0.00 42.46 38.15 2ocf s ILE 88 CO 0.31 0.31 -0.08 -0.94 -1.91 0.00 0.00 174.94 172.63 2ocf s SER 89 N 0.24 1.66 0.16 4.50 1.04 -1.26 -3.04 113.70 116.99 2ocf s SER 89 Ca 0.41 -1.04 -0.08 0.00 0.48 0.00 0.00 55.95 55.72 2ocf s SER 89 Cb -0.20 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2ocf s SER 89 CO 0.23 -0.38 0.25 0.27 0.98 0.00 0.00 173.24 174.59 2ocf s ILE 90 N -3.40 0.07 -0.08 -1.02 -4.36 0.09 -4.98 121.20 107.51 2ocf s ILE 90 Ca 0.17 -1.47 0.03 0.00 -0.26 0.00 0.00 60.65 59.12 2ocf s ILE 90 Cb 0.03 -1.87 -0.02 0.00 1.25 0.00 0.00 42.46 41.85 2ocf s ILE 90 CO 0.00 -0.32 -0.18 0.20 0.24 0.00 0.00 174.94 174.89 2ocf s ASN 91 N -2.98 3.68 -0.13 4.36 -0.87 -1.26 0.00 114.94 117.74 2ocf s ASN 91 Ca 0.18 -0.36 -0.07 0.00 -1.57 0.00 0.00 52.86 51.04 2ocf s ASN 91 Cb 0.04 -1.12 0.05 0.00 -0.02 0.00 0.00 41.25 40.19 2ocf s ASN 91 CO 0.00 0.25 0.32 -0.47 -2.57 0.00 0.00 177.10 174.63 2ocf s TYR 92 N -0.15 -0.44 -0.19 2.20 6.14 -0.01 -4.97 117.35 119.95 2ocf s TYR 92 Ca -0.02 0.98 -0.11 0.00 0.64 0.00 0.00 57.07 58.57 2ocf s TYR 92 Cb -0.14 0.14 -0.05 0.00 0.42 0.00 0.00 41.96 42.33 2ocf s TYR 92 CO 0.04 -0.27 0.17 0.50 0.64 0.00 0.00 175.55 176.63 2ocf s ARG 93 N 1.19 4.16 0.00 4.97 3.52 -1.26 -0.50 118.95 131.03 2ocf s ARG 93 Ca -0.08 -0.14 0.24 0.00 -0.13 0.00 0.00 55.73 55.61 2ocf s ARG 93 Cb -0.09 -3.41 0.21 0.00 -1.56 0.00 0.00 34.95 30.10 2ocf s ARG 93 CO -0.09 0.32 1.27 -2.37 -0.81 0.00 0.00 175.30 173.61