#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gks h GLY 2 N 0.00 1.77 0.51 0.44 0.00 -1.95 0.13 103.07 103.97 1gks h GLY 2 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1gks h GLY 2 CO 0.00 -0.39 -0.28 0.83 0.00 0.00 0.00 176.54 176.70 1gks h GLU 3 N 0.32 -0.70 -0.74 4.80 3.07 -1.93 -0.46 114.58 118.94 1gks h GLU 3 Ca 0.72 0.05 0.15 0.00 -0.50 0.00 0.00 59.36 59.77 1gks h GLU 3 Cb 1.76 0.16 -0.14 0.00 -0.84 0.00 0.00 28.75 29.68 1gks h GLU 3 CO -0.51 -0.47 -0.21 0.77 -1.40 0.00 0.00 179.01 177.19 1gks h SER 4 N -0.73 -0.78 0.70 1.42 0.02 -1.26 0.15 113.55 113.07 1gks h SER 4 Ca -0.07 0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1gks h SER 4 Cb 0.57 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1gks h SER 4 CO 0.09 -0.26 -0.49 0.40 -1.14 0.00 0.00 176.83 175.44 1gks h ILE 5 N -0.02 0.00 -0.41 3.27 2.04 -0.99 0.18 117.51 121.57 1gks h ILE 5 Ca 0.35 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.25 1gks h ILE 5 Cb 0.55 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1gks h ILE 5 CO -0.77 0.00 0.16 0.22 0.00 0.00 0.00 178.15 177.76 1gks h TYR 6 N -1.13 0.28 -0.10 1.37 5.03 -0.43 -0.16 116.97 121.83 1gks h TYR 6 Ca -0.09 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.19 1gks h TYR 6 Cb 0.92 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 39.14 1gks h TYR 6 CO -0.15 0.12 -0.14 0.82 -1.32 0.00 0.00 178.16 177.49 1gks h ILE 7 N 0.33 1.38 0.00 1.81 1.08 -0.62 -2.34 117.51 119.14 1gks h ILE 7 Ca 0.19 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.30 1gks h ILE 7 Cb 0.16 2.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1gks h ILE 7 CO -0.18 0.39 0.00 -0.46 -0.69 0.00 0.00 178.15 177.20 1gks n ASN 8 N -4.60 0.00 0.09 1.72 2.04 0.26 -4.60 115.26 110.17 1gks n ASN 8 Ca -0.07 -0.03 -0.04 0.00 -0.44 0.00 0.00 54.58 54.00 1gks n ASN 8 Cb 0.36 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.56 1gks n ASN 8 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1gks h GLY 9 N 0.00 0.00 -1.74 4.83 0.00 0.14 -3.46 103.07 102.84 1gks h GLY 9 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1gks h GLY 9 CO 0.00 0.00 0.38 -0.51 0.00 0.00 0.00 176.54 176.41 1gks s THR 10 N -2.84 4.07 -0.25 4.70 -4.23 -0.16 -4.97 115.64 111.96 1gks s THR 10 Ca 0.02 0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 61.50 1gks s THR 10 Cb 0.10 -3.51 0.12 0.00 1.34 0.00 0.00 72.50 70.54 1gks s THR 10 CO 0.80 -0.57 0.26 0.00 -0.54 0.00 0.00 174.62 174.57 1gks s ALA 11 N -2.50 -0.37 0.55 3.99 0.00 -1.26 -2.74 121.76 119.43 1gks s ALA 11 Ca 0.62 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 52.34 1gks s ALA 11 Cb -0.14 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 1gks s ALA 11 CO 0.34 -1.47 1.27 -2.30 0.00 0.00 0.00 175.76 173.61 1gks n PRO 12 N 5.31 1.52 -2.01 0.00 -0.02 -1.26 -4.79 135.00 133.75 1gks n PRO 12 Ca -0.04 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1gks n PRO 12 Cb 0.48 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1gks n PRO 12 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gks s THR 13 N -1.32 3.53 0.15 3.45 -4.23 -1.11 -4.92 115.64 111.18 1gks s THR 13 Ca 0.72 0.70 -0.18 0.00 -1.18 0.00 0.00 61.69 61.75 1gks s THR 13 Cb -0.43 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 69.99 1gks s THR 13 CO 0.49 -0.05 1.69 0.00 -0.54 0.00 0.00 174.62 176.21 1gks h SER 15 N 0.03 -1.57 -1.24 0.00 4.64 -1.67 0.38 113.55 114.12 1gks h SER 15 Ca 0.15 0.30 0.36 0.00 -0.47 0.00 0.00 61.79 62.13 1gks h SER 15 Cb 0.22 0.78 -0.09 0.00 -0.31 0.00 0.00 62.40 63.00 1gks h SER 15 CO -0.30 -0.28 0.84 0.28 -0.87 0.00 0.00 176.83 176.50 1gks h SER 16 N -0.04 0.22 0.00 4.97 0.02 -1.81 0.21 113.55 117.12 1gks h SER 16 Ca 0.28 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 61.16 1gks h SER 16 Cb 0.55 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1gks h SER 16 CO -0.92 -0.02 -1.31 0.00 -1.14 0.00 0.00 176.83 173.44 1gks h HIS 18 N -1.00 0.89 -0.41 0.00 3.86 -0.77 0.35 115.15 118.07 1gks h HIS 18 Ca -0.20 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 58.78 1gks h HIS 18 Cb 1.09 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 1gks h HIS 18 CO -0.26 0.94 0.18 0.22 0.86 0.00 0.00 177.93 179.86 1gks h ASP 19 N 0.67 0.55 0.36 2.45 3.58 -0.78 -3.11 116.42 120.15 1gks h ASP 19 Ca 0.09 -0.15 -0.25 0.00 0.42 0.00 0.00 57.03 57.14 1gks h ASP 19 Cb 0.75 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.67 1gks h ASP 19 CO 0.06 0.55 -1.05 0.03 -2.88 0.00 0.00 179.24 175.96 1gks h ARG 20 N 0.51 0.42 -0.35 0.28 3.08 -1.65 -3.46 114.38 113.20 1gks h ARG 20 Ca 0.14 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1gks h ARG 20 Cb 0.16 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1gks h ARG 20 CO -0.01 1.17 0.00 0.41 -1.07 0.00 0.00 179.97 180.47 1gks n GLY 21 N 1.12 1.03 3.66 0.04 0.00 0.10 -5.02 105.19 106.13 1gks n GLY 21 Ca -0.08 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 1gks n GLY 21 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gks n VAL 22 N -1.16 0.11 -2.67 1.61 0.31 0.02 -0.76 118.33 115.79 1gks n VAL 22 Ca 0.00 -0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.15 1gks n VAL 22 Cb 0.20 -1.48 -0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1gks n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gks n ALA 23 N 3.18 -0.85 -1.85 3.52 0.00 -1.26 -0.66 120.51 122.58 1gks n ALA 23 Ca 0.16 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 1gks n ALA 23 Cb 0.28 -1.89 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 1gks n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gks n GLY 24 N -0.92 0.39 3.68 0.00 0.00 0.06 -4.98 105.19 103.42 1gks n GLY 24 Ca -0.11 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 1gks n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gks n ALA 25 N -0.51 1.40 -1.74 4.61 0.00 0.16 -4.84 120.51 119.60 1gks n ALA 25 Ca -0.11 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.31 1gks n ALA 25 Cb 0.49 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 1gks n ALA 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gks s PRO 26 N -0.30 3.38 0.94 0.00 0.04 -1.26 -4.52 135.00 133.29 1gks s PRO 26 Ca 0.68 1.97 -0.13 0.00 0.04 0.00 0.00 61.00 63.56 1gks s PRO 26 Cb -0.62 -4.28 0.21 0.00 0.04 0.00 0.00 34.50 29.85 1gks s PRO 26 CO 0.48 -1.81 1.29 -1.21 0.04 0.00 0.00 177.00 175.79 1gks s GLU 27 N 5.77 0.60 0.80 4.56 8.01 -1.26 -4.89 118.70 132.29 1gks s GLU 27 Ca 0.92 -0.68 -0.11 0.00 0.01 0.00 0.00 54.97 55.11 1gks s GLU 27 Cb -0.32 -1.93 0.08 0.00 -4.31 0.00 0.00 34.13 27.65 1gks s GLU 27 CO 0.35 -2.38 1.11 -0.51 0.01 0.00 0.00 175.26 173.84 1gks s LEU 28 N -5.80 3.01 -1.03 1.80 2.01 -1.26 -3.89 118.68 113.52 1gks s LEU 28 Ca 0.75 1.94 -0.06 0.00 0.01 0.00 0.00 54.13 56.78 1gks s LEU 28 Cb -0.03 -4.54 0.01 0.00 0.01 0.00 0.00 46.19 41.65 1gks s LEU 28 CO 0.52 -2.29 0.10 -0.46 1.01 0.00 0.00 176.35 175.23 1gks n ASN 29 N -3.62 -0.10 -2.96 2.29 6.94 -1.23 -4.88 115.26 111.70 1gks n ASN 29 Ca 0.10 -0.90 -0.18 0.00 -0.02 0.00 0.00 54.58 53.58 1gks n ASN 29 Cb 0.53 -1.11 -0.01 0.00 -2.36 0.00 0.00 39.78 36.82 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gks n ALA 30 N -3.58 2.99 -0.33 -2.53 0.00 -1.25 -4.98 120.51 110.83 1gks n ALA 30 Ca -0.20 -3.58 0.15 0.00 0.00 0.00 0.00 53.44 49.81 1gks n ALA 30 Cb 0.47 -0.88 0.30 0.00 0.00 0.00 0.00 19.45 19.35 1gks n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1gks h PRO 31 N 2.97 0.04 -0.95 0.00 0.11 -1.89 0.87 132.00 133.13 1gks h PRO 31 Ca 0.07 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.39 1gks h PRO 31 Cb 0.95 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 31.94 1gks h PRO 31 CO 0.57 0.02 0.52 0.93 -0.21 0.00 0.00 178.00 179.83 1gks h GLU 32 N 0.04 0.53 0.00 1.05 5.08 -1.99 0.25 114.58 119.54 1gks h GLU 32 Ca 0.60 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1gks h GLU 32 Cb 1.26 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1gks h GLU 32 CO -0.86 0.35 0.00 -0.44 -1.00 0.00 0.00 179.01 177.06 1gks h ASP 33 N 0.55 0.00 0.00 1.42 5.19 -1.22 -3.23 116.42 119.13 1gks h ASP 33 Ca 0.59 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.85 1gks h ASP 33 Cb 1.08 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 1gks h ASP 33 CO -0.47 0.00 -1.84 0.79 -3.12 0.00 0.00 179.24 174.60 1gks n TRP 34 N -2.51 0.00 -0.29 4.55 7.02 0.41 -4.74 117.44 121.89 1gks n TRP 34 Ca 0.03 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.53 1gks n TRP 34 Cb 0.32 -0.54 0.08 0.00 -2.42 0.00 0.00 31.31 28.75 1gks n TRP 34 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gks n ALA 35 N -2.32 0.08 0.38 6.99 0.00 0.59 -0.28 120.51 125.95 1gks n ALA 35 Ca -0.15 0.82 0.12 0.00 0.00 0.00 0.00 53.44 54.23 1gks n ALA 35 Cb 0.73 -0.45 0.20 0.00 0.00 0.00 0.00 19.45 19.93 1gks n ALA 35 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gks h ASP 36 N 0.00 0.00 -4.11 0.00 5.19 -1.85 -3.47 116.42 112.17 1gks h ASP 36 Ca 0.33 -0.05 -0.46 0.00 -0.62 0.00 0.00 57.03 56.24 1gks h ASP 36 Cb 0.53 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1gks h ASP 36 CO -0.79 0.02 0.36 -0.13 -3.12 0.00 0.00 179.24 175.59 1gks s ARG 37 N -3.20 3.99 -0.24 3.56 0.52 0.61 -4.96 118.95 119.24 1gks s ARG 37 Ca 0.06 1.12 -0.35 0.00 -0.52 0.00 0.00 55.73 56.04 1gks s ARG 37 Cb 0.10 -2.14 -0.12 0.00 0.52 0.00 0.00 34.95 33.31 1gks s ARG 37 CO 0.69 -0.24 2.01 -2.30 0.02 0.00 0.00 175.30 175.47 1gks n PRO 38 N -1.10 1.53 0.11 3.54 -0.02 -1.26 -4.84 135.00 132.97 1gks n PRO 38 Ca 0.07 0.51 0.03 0.00 -2.02 0.00 0.00 63.50 62.09 1gks n PRO 38 Cb 0.54 -2.52 0.42 0.00 -0.02 0.00 0.00 33.50 31.91 1gks n PRO 38 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1gks h SER 39 N 10.58 0.25 -1.48 2.55 0.02 -1.92 -3.43 113.55 120.11 1gks h SER 39 Ca -0.39 -0.04 -0.54 0.00 -0.84 0.00 0.00 61.79 59.98 1gks h SER 39 Cb 1.30 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1gks h SER 39 CO 0.98 0.34 1.57 -1.20 -1.14 0.00 0.00 176.83 177.38 1gks n SER 40 N -4.33 2.40 -0.29 3.07 7.64 -1.26 -4.86 113.62 115.98 1gks n SER 40 Ca -0.00 -0.06 0.09 0.00 1.01 0.00 0.00 58.87 59.91 1gks n SER 40 Cb 0.22 -1.46 0.25 0.00 -1.01 0.00 0.00 64.21 62.21 1gks n SER 40 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1gks h VAL 41 N 7.45 0.59 -0.67 0.44 2.07 -1.99 0.13 116.25 124.28 1gks h VAL 41 Ca -0.28 -0.16 0.18 0.00 0.82 0.00 0.00 66.70 67.26 1gks h VAL 41 Cb 1.27 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1gks h VAL 41 CO 1.09 0.09 0.47 -2.24 0.02 0.00 0.00 177.57 177.00 1gks h ASP 42 N 0.48 0.08 0.00 0.57 2.03 -1.96 0.96 116.42 118.58 1gks h ASP 42 Ca 0.49 0.01 -0.07 0.00 -0.73 0.00 0.00 57.03 56.73 1gks h ASP 42 Cb 0.83 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.31 1gks h ASP 42 CO -0.45 0.04 -0.44 -0.33 -1.03 0.00 0.00 179.24 177.03 1gks h GLU 43 N 0.08 0.00 -1.00 4.15 5.08 -1.14 -3.37 114.58 118.38 1gks h GLU 43 Ca 0.32 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.89 1gks h GLU 43 Cb 1.16 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.30 1gks h GLU 43 CO -0.03 0.81 0.60 -0.07 -1.00 0.00 0.00 179.01 179.32 1gks h LEU 44 N -1.00 0.73 -1.07 1.33 3.38 -0.61 0.13 115.31 118.20 1gks h LEU 44 Ca -0.11 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1gks h LEU 44 Cb 0.94 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1gks h LEU 44 CO -0.07 0.21 0.62 -0.37 0.09 0.00 0.00 178.44 178.92 1gks h VAL 45 N 0.69 1.10 -0.23 1.22 -1.51 -1.01 0.81 116.25 117.32 1gks h VAL 45 Ca 0.60 -0.39 -0.04 0.00 -1.23 0.00 0.00 66.70 65.65 1gks h VAL 45 Cb 1.02 -0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 1gks h VAL 45 CO -0.42 0.21 0.00 -0.33 -1.23 0.00 0.00 177.57 175.80 1gks h GLU 46 N 1.13 0.40 -0.64 5.19 4.39 -0.92 0.20 114.58 124.34 1gks h GLU 46 Ca 0.41 -0.13 0.11 0.00 0.34 0.00 0.00 59.36 60.09 1gks h GLU 46 Cb 0.15 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.68 1gks h GLU 46 CO -0.15 0.59 0.21 0.77 -1.16 0.00 0.00 179.01 179.27 1gks h SER 47 N 0.17 0.17 -0.07 1.42 0.02 -0.92 0.10 113.55 114.44 1gks h SER 47 Ca 0.06 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1gks h SER 47 Cb 0.40 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1gks h SER 47 CO 0.01 0.09 -0.02 0.74 -1.14 0.00 0.00 176.83 176.51 1gks h THR 48 N 0.37 1.31 -0.82 -2.27 2.02 -0.50 0.19 112.91 113.20 1gks h THR 48 Ca 0.33 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1gks h THR 48 Cb 0.46 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.66 1gks h THR 48 CO -0.36 0.27 0.44 -0.07 0.37 0.00 0.00 175.52 176.17 1gks h LEU 49 N -0.22 1.04 -0.36 2.58 3.38 -0.20 -1.68 115.31 119.84 1gks h LEU 49 Ca 0.02 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 1gks h LEU 49 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1gks h LEU 49 CO 0.01 0.85 -0.82 0.00 0.09 0.00 0.00 178.44 178.56 1gks h ALA 50 N 1.23 0.59 0.00 1.53 0.00 -0.79 0.72 119.26 122.55 1gks h ALA 50 Ca 0.29 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1gks h ALA 50 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1gks h ALA 50 CO -0.04 0.89 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1gks n GLY 51 N 0.76 0.42 3.27 0.00 0.00 0.67 -4.03 105.19 106.29 1gks n GLY 51 Ca -0.03 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.19 1gks n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gks s LYS 52 N -2.24 0.56 5.34 1.61 2.20 0.03 -4.78 119.74 122.46 1gks s LYS 52 Ca 0.00 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 1gks s LYS 52 Cb 0.00 0.62 0.00 0.00 -1.51 0.00 0.00 37.83 36.94 1gks s LYS 52 CO 0.00 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 1gks n GLY 53 N 5.43 1.72 0.22 5.54 0.00 -1.26 -0.45 105.19 116.38 1gks n GLY 53 Ca -0.04 0.41 -0.06 0.00 0.00 0.00 0.00 46.02 46.32 1gks n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gks h ALA 54 N -0.85 0.88 -2.23 4.61 0.00 -1.97 -3.43 119.26 116.26 1gks h ALA 54 Ca 0.00 -0.45 -0.55 0.00 0.00 0.00 0.00 54.91 53.91 1gks h ALA 54 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gks h ALA 54 CO 0.00 0.65 1.17 1.41 0.00 0.00 0.00 179.25 182.47 1gks s MET 55 N -4.17 4.02 0.66 0.00 0.00 0.40 -4.97 119.30 115.23 1gks s MET 55 Ca -0.07 2.20 -0.14 0.00 0.00 0.00 0.00 55.69 57.69 1gks s MET 55 Cb 0.12 -4.08 -0.00 0.00 0.00 0.00 0.00 34.83 30.87 1gks s MET 55 CO 0.81 -1.06 1.08 -1.25 0.00 0.00 0.00 175.02 174.61 1gks s PRO 56 N 4.46 2.92 -0.13 4.11 0.04 -1.26 -0.79 135.00 144.36 1gks s PRO 56 Ca 0.79 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1gks s PRO 56 Cb -0.34 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1gks s PRO 56 CO 0.33 -1.13 1.85 0.00 0.04 0.00 0.00 177.00 178.10 1gks s ALA 57 N -2.57 3.28 -1.20 8.56 0.00 -1.26 -4.19 121.76 124.38 1gks s ALA 57 Ca 0.63 0.84 0.27 0.00 0.00 0.00 0.00 51.96 53.70 1gks s ALA 57 Cb -0.17 -3.89 1.24 0.00 0.00 0.00 0.00 23.12 20.30 1gks s ALA 57 CO 0.44 -1.96 1.88 0.66 0.00 0.00 0.00 175.76 176.78 1gks n TYR 58 N 8.74 0.00 -1.49 0.00 4.01 0.12 -4.74 117.16 123.80 1gks n TYR 58 Ca 0.21 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.83 1gks n TYR 58 Cb 0.44 -0.40 -0.10 0.00 -0.31 0.00 0.00 39.34 38.97 1gks n TYR 58 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1gks n ASP 59 N -1.40 0.81 0.00 7.72 2.03 -0.46 -0.15 116.55 125.10 1gks n ASP 59 Ca 0.09 -1.94 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1gks n ASP 59 Cb 0.26 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 1gks n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gks n GLY 60 N 6.06 2.68 0.14 0.27 0.00 -1.26 -4.96 105.19 108.12 1gks n GLY 60 Ca 0.39 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1gks n GLY 60 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gks h ARG 61 N 0.00 0.39 -3.31 1.61 3.08 -0.84 -3.45 114.38 111.86 1gks h ARG 61 Ca 0.00 -0.66 -0.26 0.00 0.07 0.00 0.00 59.98 59.13 1gks h ARG 61 Cb 0.00 0.25 -0.33 0.00 0.08 0.00 0.00 29.97 29.97 1gks h ARG 61 CO 0.00 1.29 -0.63 0.00 -1.07 0.00 0.00 179.97 179.56 1gks s ALA 62 N -2.59 -0.17 0.40 0.04 0.00 -0.46 -4.69 121.76 114.29 1gks s ALA 62 Ca -0.13 0.58 -0.16 0.00 0.00 0.00 0.00 51.96 52.25 1gks s ALA 62 Cb 0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 23.12 22.66 1gks s ALA 62 CO 0.87 -0.17 0.84 0.34 0.00 0.00 0.00 175.76 177.65 1gks s ASP 63 N 1.21 6.75 0.14 0.00 2.15 -1.26 -4.45 116.67 121.20 1gks s ASP 63 Ca -0.08 1.41 -0.04 0.00 0.43 0.00 0.00 52.55 54.27 1gks s ASP 63 Cb -0.12 -2.43 0.23 0.00 -0.30 0.00 0.00 42.92 40.30 1gks s ASP 63 CO -0.05 -0.35 0.78 -1.14 -0.17 0.00 0.00 175.17 174.24 1gks n ARG 64 N -0.81 -0.04 -0.04 4.34 0.63 -1.26 0.44 116.66 119.91 1gks n ARG 64 Ca 0.05 0.78 -0.04 0.00 -0.92 0.00 0.00 57.85 57.71 1gks n ARG 64 Cb 0.54 -1.16 0.18 0.00 0.45 0.00 0.00 32.46 32.46 1gks n ARG 64 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1gks h GLU 65 N 0.00 0.63 0.70 -0.14 3.07 -1.99 0.17 114.58 117.01 1gks h GLU 65 Ca 0.24 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1gks h GLU 65 Cb 0.36 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1gks h GLU 65 CO -0.51 0.76 -0.34 -0.44 -1.40 0.00 0.00 179.01 177.08 1gks h ASP 66 N 0.57 -0.79 -0.43 1.42 3.32 -0.38 -3.28 116.42 116.85 1gks h ASP 66 Ca 0.09 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.21 1gks h ASP 66 Cb 0.60 0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.26 1gks h ASP 66 CO 0.04 -0.44 -0.48 -0.07 -1.72 0.00 0.00 179.24 176.58 1gks h LEU 67 N -1.18 -1.60 -0.82 1.55 3.38 -0.89 -2.25 115.31 113.51 1gks h LEU 67 Ca -0.10 0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1gks h LEU 67 Cb 0.74 0.68 -0.12 0.00 0.09 0.00 0.00 40.66 42.06 1gks h LEU 67 CO 0.16 -0.38 -0.39 0.52 0.09 0.00 0.00 178.44 178.44 1gks n VAL 68 N -5.40 -0.48 -0.28 1.22 0.31 0.57 -0.08 118.33 114.20 1gks n VAL 68 Ca -0.01 1.94 -0.05 0.00 -0.01 0.00 0.00 64.34 66.21 1gks n VAL 68 Cb 0.35 -2.49 0.06 0.00 -0.91 0.00 0.00 33.84 30.85 1gks n VAL 68 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1gks h LYS 69 N 0.00 1.01 -0.09 5.55 1.57 -1.47 0.12 116.57 123.27 1gks h LYS 69 Ca 0.22 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1gks h LYS 69 Cb 0.42 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1gks h LYS 69 CO -0.79 0.67 -0.01 0.00 -0.57 0.00 0.00 179.45 178.75 1gks h ALA 70 N 1.27 0.12 -0.15 3.86 0.00 -0.31 -0.22 119.26 123.83 1gks h ALA 70 Ca 0.28 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1gks h ALA 70 Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1gks h ALA 70 CO -0.06 -0.18 -0.05 0.82 0.00 0.00 0.00 179.25 179.78 1gks h ILE 71 N -0.14 0.82 -0.05 0.00 2.04 -0.49 1.00 117.51 120.70 1gks h ILE 71 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1gks h ILE 71 Cb 0.38 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1gks h ILE 71 CO 0.01 0.00 -0.14 -0.33 0.00 0.00 0.00 178.15 177.68 1gks h GLU 72 N -0.02 -0.21 0.15 2.37 5.08 -0.71 0.08 114.58 121.32 1gks h GLU 72 Ca 0.08 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1gks h GLU 72 Cb 0.14 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1gks h GLU 72 CO -0.16 -0.14 -0.35 -0.92 -1.00 0.00 0.00 179.01 176.43 1gks h TYR 73 N -0.22 -0.97 -0.46 4.33 3.20 -0.53 0.13 116.97 122.45 1gks h TYR 73 Ca 0.06 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1gks h TYR 73 Cb 0.31 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1gks h TYR 73 CO -0.22 -0.46 0.28 0.00 -1.64 0.00 0.00 178.16 176.11 1gks h MET 74 N -0.60 0.63 -0.78 1.82 -0.00 -0.66 -1.66 114.93 113.67 1gks h MET 74 Ca 0.02 -0.06 0.08 0.00 -0.00 0.00 0.00 59.70 59.74 1gks h MET 74 Cb 0.62 -0.13 -0.05 0.00 -0.00 0.00 0.00 31.60 32.04 1gks h MET 74 CO -0.19 0.46 0.51 -0.07 -0.00 0.00 0.00 176.91 177.63 1gks h LEU 75 N 0.61 0.71 0.00 -0.10 3.38 -0.67 -1.61 115.31 117.63 1gks h LEU 75 Ca 0.17 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1gks h LEU 75 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1gks h LEU 75 CO -0.03 0.44 0.00 -1.20 0.09 0.00 0.00 178.44 177.74 1gks n SER 76 N -4.49 0.00 -0.06 -0.43 7.64 0.43 -1.17 113.62 115.54 1gks n SER 76 Ca 0.12 0.27 0.12 0.00 1.01 0.00 0.00 58.87 60.39 1gks n SER 76 Cb 0.26 -0.33 0.27 0.00 -1.01 0.00 0.00 64.21 63.40 1gks n SER 76 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1gks n THR 77 N -1.33 0.00 1.83 0.44 -2.24 -0.61 -5.06 114.28 107.33 1gks n THR 77 Ca 0.02 -0.03 0.15 0.00 -2.27 0.00 0.00 64.05 61.92 1gks n THR 77 Cb 0.04 0.31 0.81 0.00 -2.10 0.00 0.00 70.33 69.39 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68