#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 1.34 0.97 6.12 0.00 -1.96 -1.37 103.07 108.18 1gks h GLY 2 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1gks h GLY 2 CO 0.00 -0.08 -0.35 0.83 0.00 0.00 0.00 176.54 176.94 1gks h GLU 3 N 0.56 -0.92 -0.76 4.80 5.08 -1.92 0.05 114.58 121.47 1gks h GLU 3 Ca 0.46 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 59.03 1gks h GLU 3 Cb 0.69 0.21 -0.14 0.00 0.50 0.00 0.00 28.75 30.01 1gks h GLU 3 CO -0.39 -0.61 -0.21 0.77 -1.00 0.00 0.00 179.01 177.57 1gks h SER 4 N -0.96 -0.76 0.94 1.42 0.02 -1.71 0.22 113.55 112.73 1gks h SER 4 Ca -0.09 0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1gks h SER 4 Cb 0.74 0.49 0.01 0.00 0.14 0.00 0.00 62.40 63.78 1gks h SER 4 CO 0.14 -0.26 -0.45 0.40 -1.14 0.00 0.00 176.83 175.52 1gks h ILE 5 N -0.01 0.00 -0.41 3.27 2.04 -1.19 0.13 117.51 121.35 1gks h ILE 5 Ca 0.36 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 66.26 1gks h ILE 5 Cb 0.56 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1gks h ILE 5 CO -0.78 0.00 0.07 0.22 0.00 0.00 0.00 178.15 177.66 1gks h TYR 6 N -1.29 0.11 -0.00 1.37 5.03 -0.41 0.49 116.97 122.27 1gks h TYR 6 Ca -0.13 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.21 1gks h TYR 6 Cb 0.97 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.26 1gks h TYR 6 CO 0.01 -0.00 -0.00 0.82 -1.32 0.00 0.00 178.16 177.67 1gks h ILE 7 N 0.19 1.41 -0.02 1.81 1.08 -0.59 -1.95 117.51 119.45 1gks h ILE 7 Ca 0.20 -1.21 -0.15 0.00 -0.39 0.00 0.00 64.86 63.30 1gks h ILE 7 Cb 0.25 2.23 -0.17 0.00 -3.07 0.00 0.00 36.82 36.06 1gks h ILE 7 CO -0.27 0.31 -0.38 -0.46 -0.69 0.00 0.00 178.15 176.67 1gks n ASN 8 N -4.84 -0.90 -2.49 1.72 2.04 0.35 -4.60 115.26 106.55 1gks n ASN 8 Ca -0.09 -2.07 -0.01 0.00 -0.44 0.00 0.00 54.58 51.97 1gks n ASN 8 Cb 0.26 0.35 0.04 0.00 -2.53 0.00 0.00 39.78 37.91 1gks n ASN 8 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1gks n GLY 9 N -0.51 1.97 3.08 4.83 0.00 0.15 -4.88 105.19 109.83 1gks n GLY 9 Ca -0.21 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 1gks n GLY 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gks s THR 10 N -3.09 0.38 -0.19 2.61 -4.23 -1.10 -4.66 115.64 105.36 1gks s THR 10 Ca 0.30 -1.52 -0.05 0.00 -1.18 0.00 0.00 61.69 59.25 1gks s THR 10 Cb 0.34 -1.13 0.07 0.00 1.34 0.00 0.00 72.50 73.12 1gks s THR 10 CO -0.06 -0.75 0.11 0.00 -0.54 0.00 0.00 174.62 173.38 1gks s ALA 11 N -2.85 0.39 0.80 3.99 0.00 -1.26 -2.65 121.76 120.17 1gks s ALA 11 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 1gks s ALA 11 Cb 0.00 -1.10 0.04 0.00 0.00 0.00 0.00 23.12 22.07 1gks s ALA 11 CO -0.05 -1.23 0.94 -2.30 0.00 0.00 0.00 175.76 173.12 1gks n PRO 12 N 5.28 0.18 -2.07 0.00 -0.02 -1.26 -4.74 135.00 132.36 1gks n PRO 12 Ca -0.07 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 1gks n PRO 12 Cb 0.48 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.09 3.09 0.11 3.45 -4.23 -1.09 -4.93 115.64 109.97 1gks s THR 13 Ca 0.70 0.74 -0.21 0.00 -1.18 0.00 0.00 61.69 61.74 1gks s THR 13 Cb -0.30 -3.47 -0.08 0.00 1.34 0.00 0.00 72.50 69.99 1gks s THR 13 CO 0.54 0.04 1.74 0.00 -0.54 0.00 0.00 174.62 176.40 1gks h SER 15 N 0.07 -1.55 -1.17 0.00 4.64 -1.60 -0.21 113.55 113.72 1gks h SER 15 Ca 0.06 0.30 0.35 0.00 -0.47 0.00 0.00 61.79 62.03 1gks h SER 15 Cb 0.06 0.77 -0.11 0.00 -0.31 0.00 0.00 62.40 62.80 1gks h SER 15 CO -0.09 -0.29 0.75 0.77 -0.87 0.00 0.00 176.83 177.11 1gks h SER 16 N -0.04 0.35 0.00 4.97 4.64 -1.86 0.23 113.55 121.83 1gks h SER 16 Ca 0.28 0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.65 1gks h SER 16 Cb 0.56 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1gks h SER 16 CO -0.92 -0.07 -0.96 0.00 -0.87 0.00 0.00 176.83 174.02 1gks h HIS 18 N -1.00 0.72 -0.19 0.00 3.86 -0.89 0.32 115.15 117.97 1gks h HIS 18 Ca -0.11 -0.15 -0.10 0.00 -1.16 0.00 0.00 60.37 58.85 1gks h HIS 18 Cb 0.87 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 1gks h HIS 18 CO -0.24 0.79 -0.34 0.22 0.86 0.00 0.00 177.93 179.22 1gks h ASP 19 N 0.58 0.40 1.03 2.45 3.58 -0.75 -2.77 116.42 120.93 1gks h ASP 19 Ca 0.09 -0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.22 1gks h ASP 19 Cb 0.65 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1gks h ASP 19 CO 0.05 0.71 -1.03 0.03 -2.88 0.00 0.00 179.24 176.12 1gks h ARG 20 N 0.33 0.00 -1.38 0.28 2.47 -1.61 -3.48 114.38 110.99 1gks h ARG 20 Ca 0.04 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.64 1gks h ARG 20 Cb 0.75 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.08 1gks h ARG 20 CO 0.06 0.53 -0.17 0.41 0.56 0.00 0.00 179.97 181.36 1gks n GLY 21 N 1.34 0.25 3.75 0.04 0.00 0.10 -4.98 105.19 105.70 1gks n GLY 21 Ca -0.04 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1gks n GLY 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1gks n VAL 22 N -3.75 1.89 -2.38 1.61 3.14 -0.60 -1.21 118.33 117.03 1gks n VAL 22 Ca -0.05 -0.47 -0.12 0.00 -2.96 0.00 0.00 64.34 60.73 1gks n VAL 22 Cb 0.54 -1.86 -0.01 0.00 -1.06 0.00 0.00 33.84 31.45 1gks n VAL 22 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1gks n ALA 23 N 0.58 -0.74 -1.65 1.55 0.00 -1.26 -0.66 120.51 118.34 1gks n ALA 23 Ca 0.03 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1gks n ALA 23 Cb 0.38 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.78 0.57 3.70 0.00 0.00 -0.35 -4.97 105.19 103.38 1gks n GLY 24 Ca -0.15 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 0.01 1.80 -1.70 4.61 0.00 0.17 -4.86 120.51 120.54 1gks n ALA 25 Ca -0.09 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 1gks n ALA 25 Cb 0.41 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 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 -0.38 4.14 0.74 0.00 0.04 -1.26 -4.45 135.00 133.83 1gks s PRO 26 Ca 0.67 2.59 -0.02 0.00 0.04 0.00 0.00 61.00 64.27 1gks s PRO 26 Cb -0.58 -3.94 0.13 0.00 0.04 0.00 0.00 34.50 30.15 1gks s PRO 26 CO 0.48 -0.91 1.02 -1.21 0.04 0.00 0.00 177.00 176.42 1gks s GLU 27 N 3.79 1.63 0.59 4.56 2.02 -1.26 -4.85 118.70 125.17 1gks s GLU 27 Ca 0.85 -1.00 -0.14 0.00 0.02 0.00 0.00 54.97 54.70 1gks s GLU 27 Cb -0.44 -2.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 1gks s GLU 27 CO 0.39 -1.51 1.02 -0.51 0.02 0.00 0.00 175.26 174.68 1gks s LEU 28 N -5.20 3.42 -1.33 1.80 2.01 -1.26 -3.95 118.68 114.17 1gks s LEU 28 Ca 0.66 1.59 -0.09 0.00 0.01 0.00 0.00 54.13 56.31 1gks s LEU 28 Cb -0.06 -4.50 0.06 0.00 0.01 0.00 0.00 46.19 41.70 1gks s LEU 28 CO 0.45 -0.92 0.51 0.59 1.01 0.00 0.00 176.35 177.99 1gks n ASN 29 N -2.21 -4.09 -3.24 2.29 3.02 -1.24 -4.91 115.26 104.88 1gks n ASN 29 Ca 0.07 -0.37 -0.25 0.00 -0.03 0.00 0.00 54.58 54.00 1gks n ASN 29 Cb 0.54 -3.36 -0.06 0.00 -0.61 0.00 0.00 39.78 36.28 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gks n ALA 30 N -3.53 3.30 -0.32 5.41 0.00 -1.25 -4.99 120.51 119.14 1gks n ALA 30 Ca -0.03 -4.09 0.03 0.00 0.00 0.00 0.00 53.44 49.34 1gks n ALA 30 Cb 0.55 -0.85 0.10 0.00 0.00 0.00 0.00 19.45 19.25 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 3.79 -0.01 -0.96 0.00 0.11 -1.91 0.13 132.00 133.15 1gks h PRO 31 Ca 0.13 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.47 1gks h PRO 31 Cb 0.76 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.80 1gks h PRO 31 CO 0.66 -0.01 0.63 1.05 -0.21 0.00 0.00 178.00 180.12 1gks h GLU 32 N -0.01 0.38 0.00 1.05 9.09 -1.99 0.17 114.58 123.27 1gks h GLU 32 Ca 0.40 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.75 1gks h GLU 32 Cb 0.64 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.64 1gks h GLU 32 CO -0.91 0.25 -0.21 -0.44 0.05 0.00 0.00 179.01 177.76 1gks h ASP 33 N 0.39 0.00 0.00 3.06 5.19 -1.11 -3.25 116.42 120.70 1gks h ASP 33 Ca 0.51 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.57 1gks h ASP 33 Cb 1.32 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.76 1gks h ASP 33 CO -0.21 0.21 -2.33 0.79 -3.12 0.00 0.00 179.24 174.58 1gks n TRP 34 N -3.96 0.00 -0.32 4.55 7.02 0.35 -4.57 117.44 120.52 1gks n TRP 34 Ca -0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.50 1gks n TRP 34 Cb 0.29 -0.92 0.10 0.00 -2.42 0.00 0.00 31.31 28.36 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 -2.97 0.13 0.18 6.99 0.00 0.26 -0.32 120.51 124.78 1gks n ALA 35 Ca -0.37 0.93 0.07 0.00 0.00 0.00 0.00 53.44 54.07 1gks n ALA 35 Cb 1.02 -0.53 0.13 0.00 0.00 0.00 0.00 19.45 20.08 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 -3.89 0.00 5.19 -1.83 -3.46 116.42 112.44 1gks h ASP 36 Ca 0.39 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 56.33 1gks h ASP 36 Cb 0.60 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 1gks h ASP 36 CO -0.88 0.30 0.35 -0.13 -3.12 0.00 0.00 179.24 175.76 1gks s ARG 37 N -3.13 4.56 -0.69 3.56 0.52 0.56 -4.94 118.95 119.39 1gks s ARG 37 Ca 0.05 1.36 -0.26 0.00 -0.52 0.00 0.00 55.73 56.35 1gks s ARG 37 Cb 0.07 -2.80 -0.12 0.00 0.52 0.00 0.00 34.95 32.62 1gks s ARG 37 CO 0.71 0.25 2.42 -2.30 0.02 0.00 0.00 175.30 176.40 1gks n PRO 38 N 0.55 0.71 0.32 3.54 -0.02 -1.26 -4.78 135.00 134.06 1gks n PRO 38 Ca 0.02 -0.53 0.19 0.00 -2.02 0.00 0.00 63.50 61.16 1gks n PRO 38 Cb 0.50 -3.54 1.03 0.00 -0.02 0.00 0.00 33.50 31.47 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 15.15 0.00 -0.78 2.55 0.02 -1.91 -3.38 113.55 125.19 1gks h SER 39 Ca -0.09 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.24 1gks h SER 39 Cb 1.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 1gks h SER 39 CO 1.07 0.00 1.49 -1.20 -1.14 0.00 0.00 176.83 177.06 1gks n SER 40 N -3.17 1.60 -0.31 3.07 7.64 -1.26 -4.84 113.62 116.35 1gks n SER 40 Ca -0.02 0.29 0.13 0.00 1.01 0.00 0.00 58.87 60.28 1gks n SER 40 Cb 0.20 -1.18 0.30 0.00 -1.01 0.00 0.00 64.21 62.52 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 7.32 0.54 -0.40 0.44 2.07 -1.99 0.22 116.25 124.45 1gks h VAL 41 Ca -0.20 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1gks h VAL 41 Cb 1.33 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1gks h VAL 41 CO 1.11 0.09 0.28 -2.24 0.02 0.00 0.00 177.57 176.83 1gks h ASP 42 N 0.48 0.13 0.00 0.57 2.03 -1.94 0.91 116.42 118.60 1gks h ASP 42 Ca 0.55 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.78 1gks h ASP 42 Cb 1.00 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.47 1gks h ASP 42 CO -0.48 0.08 -0.49 -0.33 -1.03 0.00 0.00 179.24 176.99 1gks h GLU 43 N 0.14 0.00 -0.76 4.15 5.08 -0.96 -3.34 114.58 118.89 1gks h GLU 43 Ca 0.19 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.72 1gks h GLU 43 Cb 0.56 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 1gks h GLU 43 CO -0.02 0.65 0.18 -0.07 -1.00 0.00 0.00 179.01 178.75 1gks h LEU 44 N -1.00 0.00 -1.18 1.33 3.38 -0.79 1.00 115.31 118.05 1gks h LEU 44 Ca -0.11 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1gks h LEU 44 Cb 0.83 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1gks h LEU 44 CO -0.07 -0.06 0.15 1.62 0.09 0.00 0.00 178.44 180.18 1gks h VAL 45 N 0.26 1.20 -0.25 1.22 3.04 -1.01 0.14 116.25 120.84 1gks h VAL 45 Ca 0.44 -0.68 -0.06 0.00 -1.01 0.00 0.00 66.70 65.38 1gks h VAL 45 Cb 0.76 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 1gks h VAL 45 CO -0.54 0.26 -0.09 -0.33 -1.01 0.00 0.00 177.57 175.86 1gks h GLU 46 N 0.71 0.50 -0.72 4.17 5.08 -0.98 0.15 114.58 123.49 1gks h GLU 46 Ca 0.17 -0.21 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1gks h GLU 46 Cb 0.22 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1gks h GLU 46 CO -0.01 0.74 0.34 0.77 -1.00 0.00 0.00 179.01 179.86 1gks h SER 47 N 0.24 0.42 0.05 1.42 0.02 -0.68 0.12 113.55 115.14 1gks h SER 47 Ca 0.06 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1gks h SER 47 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1gks h SER 47 CO 0.03 0.23 -0.02 0.74 -1.14 0.00 0.00 176.83 176.66 1gks h THR 48 N 0.57 1.11 -0.55 -2.27 2.02 -0.33 0.21 112.91 113.67 1gks h THR 48 Ca 0.36 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1gks h THR 48 Cb 0.43 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1gks h THR 48 CO -0.30 0.13 0.32 -0.07 0.37 0.00 0.00 175.52 175.98 1gks h LEU 49 N -0.29 0.52 -0.50 2.58 3.38 -0.25 -2.73 115.31 118.00 1gks h LEU 49 Ca -0.01 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1gks h LEU 49 Cb 0.26 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1gks h LEU 49 CO 0.01 0.36 -0.64 0.00 0.09 0.00 0.00 178.44 178.27 1gks h ALA 50 N 1.25 0.69 0.00 1.53 0.00 -0.94 0.27 119.26 122.07 1gks h ALA 50 Ca 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1gks h ALA 50 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1gks h ALA 50 CO -0.11 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1gks n GLY 51 N 0.38 2.24 3.50 0.00 0.00 0.74 -4.00 105.19 108.04 1gks n GLY 51 Ca -0.03 -1.92 -0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.88 0.57 7.22 1.61 2.20 -0.08 -4.75 119.74 123.63 1gks s LYS 52 Ca 0.00 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 1gks s LYS 52 Cb 0.00 0.77 0.00 0.00 -1.51 0.00 0.00 37.83 37.09 1gks s LYS 52 CO 0.00 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1gks n GLY 53 N 5.44 3.61 0.21 5.54 0.00 -1.26 -0.40 105.19 118.33 1gks n GLY 53 Ca -0.09 0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.96 0.91 -2.29 4.61 0.00 -1.98 -3.45 119.26 116.10 1gks h ALA 54 Ca 0.00 -0.18 -0.55 0.00 0.00 0.00 0.00 54.91 54.18 1gks h ALA 54 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1gks h ALA 54 CO 0.00 0.25 1.02 1.41 0.00 0.00 0.00 179.25 181.93 1gks s MET 55 N -3.31 4.20 0.73 0.00 0.00 0.47 -4.99 119.30 116.40 1gks s MET 55 Ca 0.04 2.13 -0.11 0.00 0.00 0.00 0.00 55.69 57.74 1gks s MET 55 Cb 0.08 -3.85 0.03 0.00 0.00 0.00 0.00 34.83 31.08 1gks s MET 55 CO 0.67 -0.78 1.07 -1.25 0.00 0.00 0.00 175.02 174.73 1gks s PRO 56 N 3.55 2.67 0.29 4.11 0.04 -1.26 -0.90 135.00 143.50 1gks s PRO 56 Ca 0.70 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1gks s PRO 56 Cb -0.33 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 1gks s PRO 56 CO 0.28 -1.27 1.42 0.00 0.04 0.00 0.00 177.00 177.47 1gks s ALA 57 N -3.07 3.59 -0.58 8.56 0.00 -1.26 -4.17 121.76 124.84 1gks s ALA 57 Ca 0.59 1.35 0.20 0.00 0.00 0.00 0.00 51.96 54.10 1gks s ALA 57 Cb -0.14 -3.55 -0.26 0.00 0.00 0.00 0.00 23.12 19.17 1gks s ALA 57 CO 0.55 -0.76 0.70 0.66 0.00 0.00 0.00 175.76 176.90 1gks n TYR 58 N 1.73 0.00 -1.49 0.00 4.01 0.89 -4.88 117.16 117.42 1gks n TYR 58 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 1gks n TYR 58 Cb 0.40 -0.19 -0.09 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.78 1.44 0.00 7.72 2.03 -0.70 -0.13 116.55 125.13 1gks n ASP 59 Ca 0.01 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1gks n ASP 59 Cb 0.41 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 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 6.39 2.48 0.15 0.27 0.00 -1.26 -4.89 105.19 108.33 1gks n GLY 60 Ca 0.50 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 0.52 -4.17 1.61 3.08 -0.87 -3.44 114.38 111.11 1gks h ARG 61 Ca 0.00 -0.80 -0.40 0.00 0.07 0.00 0.00 59.98 58.85 1gks h ARG 61 Cb 0.00 0.29 -0.32 0.00 0.08 0.00 0.00 29.97 30.01 1gks h ARG 61 CO 0.00 1.37 -0.77 0.00 -1.07 0.00 0.00 179.97 179.50 1gks s ALA 62 N -2.71 0.65 0.31 0.04 0.00 -0.52 -4.73 121.76 114.80 1gks s ALA 62 Ca -0.10 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.49 1gks s ALA 62 Cb 0.04 -0.34 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 1gks s ALA 62 CO 0.92 0.04 0.88 0.34 0.00 0.00 0.00 175.76 177.94 1gks s ASP 63 N 0.58 7.23 0.10 0.00 2.15 -1.26 -4.45 116.67 121.03 1gks s ASP 63 Ca -0.08 1.71 -0.06 0.00 0.43 0.00 0.00 52.55 54.55 1gks s ASP 63 Cb -0.11 -2.53 0.14 0.00 -0.30 0.00 0.00 42.92 40.11 1gks s ASP 63 CO 0.00 -0.07 0.64 -1.14 -0.17 0.00 0.00 175.17 174.44 1gks n ARG 64 N 0.49 -0.07 -0.29 4.34 0.63 -1.26 0.46 116.66 120.96 1gks n ARG 64 Ca 0.01 0.64 -0.05 0.00 -0.92 0.00 0.00 57.85 57.53 1gks n ARG 64 Cb 0.51 -0.95 0.07 0.00 0.45 0.00 0.00 32.46 32.53 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 1.15 0.85 -0.14 4.39 -1.99 0.13 114.58 118.97 1gks h GLU 65 Ca 0.17 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1gks h GLU 65 Cb 0.27 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1gks h GLU 65 CO -0.42 0.90 -0.41 -0.44 -1.16 0.00 0.00 179.01 177.48 1gks h ASP 66 N 1.13 -0.97 -0.51 1.42 3.32 -0.36 -3.11 116.42 117.35 1gks h ASP 66 Ca 0.27 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.43 1gks h ASP 66 Cb 0.13 0.25 -0.10 0.00 0.22 0.00 0.00 39.33 39.83 1gks h ASP 66 CO -0.03 -0.66 -0.41 -0.07 -1.72 0.00 0.00 179.24 176.35 1gks h LEU 67 N -1.21 -1.38 -0.89 1.55 3.38 -0.98 -1.91 115.31 113.87 1gks h LEU 67 Ca -0.12 0.23 0.14 0.00 0.09 0.00 0.00 57.88 58.22 1gks h LEU 67 Cb 0.88 0.63 -0.15 0.00 0.09 0.00 0.00 40.66 42.12 1gks h LEU 67 CO 0.19 -0.34 -0.39 0.58 0.09 0.00 0.00 178.44 178.57 1gks h VAL 68 N -0.25 0.04 -0.79 1.22 2.07 -0.77 0.18 116.25 117.96 1gks h VAL 68 Ca 0.17 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1gks h VAL 68 Cb 0.57 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 1gks h VAL 68 CO -0.64 0.00 0.48 0.11 0.02 0.00 0.00 177.57 177.54 1gks h LYS 69 N -0.05 0.85 -0.30 1.57 1.57 -1.28 0.16 116.57 119.09 1gks h LYS 69 Ca 0.31 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1gks h LYS 69 Cb 0.58 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1gks h LYS 69 CO -0.91 0.56 -0.01 0.00 -0.57 0.00 0.00 179.45 178.52 1gks h ALA 70 N 1.38 0.41 -0.41 3.86 0.00 -0.58 -1.48 119.26 122.44 1gks h ALA 70 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1gks h ALA 70 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1gks h ALA 70 CO -0.17 0.17 0.23 0.82 0.00 0.00 0.00 179.25 180.29 1gks h ILE 71 N 0.33 1.15 -0.17 0.00 2.04 -0.11 0.12 117.51 120.87 1gks h ILE 71 Ca 0.08 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1gks h ILE 71 Cb 0.46 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1gks h ILE 71 CO 0.02 0.16 -0.11 -0.33 0.00 0.00 0.00 178.15 177.89 1gks h GLU 72 N 0.54 -0.10 -0.04 2.37 4.39 -0.64 0.27 114.58 121.36 1gks h GLU 72 Ca 0.15 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1gks h GLU 72 Cb 0.05 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1gks h GLU 72 CO -0.02 -0.07 -0.15 -0.92 -1.16 0.00 0.00 179.01 176.69 1gks h TYR 73 N -0.10 -0.37 -0.30 4.33 3.20 -0.72 0.12 116.97 123.13 1gks h TYR 73 Ca 0.10 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.05 1gks h TYR 73 Cb 0.25 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.61 1gks h TYR 73 CO -0.25 -0.21 -0.31 0.52 -1.64 0.00 0.00 178.16 176.27 1gks h MET 74 N -0.22 -0.28 -0.71 1.82 2.86 -0.21 -0.28 114.93 117.91 1gks h MET 74 Ca 0.06 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1gks h MET 74 Cb 0.31 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1gks h MET 74 CO -0.17 -0.19 0.47 -0.07 1.06 0.00 0.00 176.91 178.01 1gks h LEU 75 N -0.29 0.77 -3.53 1.22 3.38 -0.68 -3.05 115.31 113.13 1gks h LEU 75 Ca 0.14 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1gks h LEU 75 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1gks h LEU 75 CO -0.46 0.54 -0.04 -1.20 0.09 0.00 0.00 178.44 177.37 1gks n SER 76 N -4.45 3.84 0.00 -0.43 7.64 0.40 -2.31 113.62 118.31 1gks n SER 76 Ca 0.09 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1gks n SER 76 Cb 0.10 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 1.89 0.00 1.20 0.44 -2.24 -1.15 -4.99 114.28 109.43 1gks n THR 77 Ca 0.08 -0.10 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1gks n THR 77 Cb 0.44 1.18 0.27 0.00 -2.10 0.00 0.00 70.33 70.11 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68