#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 1.83 1.01 0.44 0.00 -1.94 0.72 103.07 105.13 1gks h GLY 2 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1gks h GLY 2 CO 0.00 -0.23 -0.47 0.83 0.00 0.00 0.00 176.54 176.67 1gks h GLU 3 N 0.56 -1.26 -0.52 4.80 3.07 -1.91 0.15 114.58 119.47 1gks h GLU 3 Ca 0.64 0.09 0.11 0.00 -0.50 0.00 0.00 59.36 59.69 1gks h GLU 3 Cb 1.27 0.29 -0.10 0.00 -0.84 0.00 0.00 28.75 29.36 1gks h GLU 3 CO -0.45 -0.84 -0.14 0.77 -1.40 0.00 0.00 179.01 176.94 1gks h SER 4 N -1.31 -0.53 0.87 1.42 0.02 -1.51 0.11 113.55 112.62 1gks h SER 4 Ca -0.13 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1gks h SER 4 Cb 1.00 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1gks h SER 4 CO 0.22 -0.18 -0.49 0.40 -1.14 0.00 0.00 176.83 175.64 1gks h ILE 5 N -0.01 0.02 -0.23 3.27 2.04 -0.84 0.18 117.51 121.94 1gks h ILE 5 Ca 0.25 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.13 1gks h ILE 5 Cb 0.40 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1gks h ILE 5 CO -0.55 0.00 0.07 0.22 0.00 0.00 0.00 178.15 177.90 1gks h TYR 6 N -1.25 0.13 -0.14 1.37 5.03 -0.66 0.86 116.97 122.31 1gks h TYR 6 Ca -0.12 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.14 1gks h TYR 6 Cb 0.99 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.24 1gks h TYR 6 CO -0.07 0.06 -0.15 0.82 -1.32 0.00 0.00 178.16 177.51 1gks h ILE 7 N 0.18 1.35 -0.01 1.81 2.04 -0.76 -2.31 117.51 119.81 1gks h ILE 7 Ca 0.10 -1.31 -0.17 0.00 1.00 0.00 0.00 64.86 64.48 1gks h ILE 7 Cb 0.07 1.88 -0.15 0.00 -0.74 0.00 0.00 36.82 37.88 1gks h ILE 7 CO -0.10 0.38 -0.28 -0.46 0.00 0.00 0.00 178.15 177.69 1gks n ASN 8 N -4.56 -1.38 -2.72 1.72 2.04 0.51 -4.62 115.26 106.25 1gks n ASN 8 Ca -0.06 -2.20 -0.00 0.00 -0.44 0.00 0.00 54.58 51.88 1gks n ASN 8 Cb 0.36 0.64 0.07 0.00 -2.53 0.00 0.00 39.78 38.32 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 -1.40 1.81 3.07 4.83 0.00 0.27 -4.85 105.19 108.92 1gks n GLY 9 Ca -0.19 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.60 0.28 -0.19 2.61 -4.23 -1.06 -4.62 115.64 105.83 1gks s THR 10 Ca 0.22 -1.56 -0.05 0.00 -1.18 0.00 0.00 61.69 59.13 1gks s THR 10 Cb 0.35 -1.17 0.07 0.00 1.34 0.00 0.00 72.50 73.09 1gks s THR 10 CO -0.07 -0.82 0.11 0.00 -0.54 0.00 0.00 174.62 173.30 1gks s ALA 11 N -3.11 0.39 0.77 3.99 0.00 -1.26 -2.59 121.76 119.94 1gks s ALA 11 Ca 0.01 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 1gks s ALA 11 Cb 0.02 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 22.05 1gks s ALA 11 CO -0.06 -1.26 1.01 -2.30 0.00 0.00 0.00 175.76 173.14 1gks n PRO 12 N 5.28 0.34 -2.02 0.00 -0.02 -1.26 -4.71 135.00 132.61 1gks n PRO 12 Ca -0.07 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1gks n PRO 12 Cb 0.48 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.96 3.49 0.16 3.45 -4.23 -1.07 -4.92 115.64 110.57 1gks s THR 13 Ca 0.72 0.72 -0.17 0.00 -1.18 0.00 0.00 61.69 61.78 1gks s THR 13 Cb -0.32 -3.46 0.08 0.00 1.34 0.00 0.00 72.50 70.14 1gks s THR 13 CO 0.52 -0.04 1.68 0.00 -0.54 0.00 0.00 174.62 176.23 1gks h SER 15 N 0.03 -0.93 -1.15 0.00 4.64 -1.67 0.15 113.55 114.62 1gks h SER 15 Ca 0.19 0.25 0.32 0.00 -0.47 0.00 0.00 61.79 62.08 1gks h SER 15 Cb 0.28 0.56 -0.08 0.00 -0.31 0.00 0.00 62.40 62.84 1gks h SER 15 CO -0.37 -0.28 0.77 0.28 -0.87 0.00 0.00 176.83 176.36 1gks h SER 16 N -0.03 0.27 0.00 4.97 0.02 -1.76 0.20 113.55 117.22 1gks h SER 16 Ca 0.36 0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 61.21 1gks h SER 16 Cb 0.60 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1gks h SER 16 CO -0.84 0.01 -1.40 0.00 -1.14 0.00 0.00 176.83 173.46 1gks h HIS 18 N -1.00 0.82 -0.42 0.00 3.86 -0.84 0.35 115.15 117.92 1gks h HIS 18 Ca -0.26 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 58.75 1gks h HIS 18 Cb 1.13 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 1gks h HIS 18 CO -0.22 0.81 0.02 0.22 0.86 0.00 0.00 177.93 179.61 1gks h ASP 19 N 0.69 0.72 0.61 2.45 1.82 -0.80 -2.80 116.42 119.11 1gks h ASP 19 Ca 0.12 -0.30 -0.13 0.00 -0.39 0.00 0.00 57.03 56.33 1gks h ASP 19 Cb 0.55 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 1gks h ASP 19 CO 0.03 0.84 -0.63 0.03 -1.61 0.00 0.00 179.24 177.90 1gks h ARG 20 N 0.58 0.02 -1.04 0.28 2.47 -1.62 -3.48 114.38 111.58 1gks h ARG 20 Ca 0.12 -0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.73 1gks h ARG 20 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1gks h ARG 20 CO 0.02 0.64 -0.14 0.41 0.56 0.00 0.00 179.97 181.46 1gks n GLY 21 N 0.28 0.26 3.77 0.04 0.00 0.11 -4.99 105.19 104.65 1gks n GLY 21 Ca -0.01 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1gks n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gks s VAL 22 N -2.43 2.22 -1.08 1.61 0.11 -0.61 -1.82 120.40 118.39 1gks s VAL 22 Ca 0.03 0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1gks s VAL 22 Cb -0.01 -3.11 0.01 0.00 -1.53 0.00 0.00 36.38 31.73 1gks s VAL 22 CO 0.04 0.02 0.06 0.00 -3.33 0.00 0.00 175.10 171.90 1gks n ALA 23 N -0.20 -0.81 -2.02 1.54 0.00 -1.26 -0.60 120.51 117.16 1gks n ALA 23 Ca 0.05 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 1gks n ALA 23 Cb 0.43 -1.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.86 0.22 3.73 0.00 0.00 -0.75 -4.83 105.19 102.70 1gks n GLY 24 Ca -0.13 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1gks n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gks s ALA 25 N -2.57 3.87 -0.16 4.61 0.00 0.23 -4.86 121.76 122.88 1gks s ALA 25 Ca 0.00 1.58 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 1gks s ALA 25 Cb 0.00 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 1gks s ALA 25 CO 0.00 -0.95 2.13 -1.25 0.00 0.00 0.00 175.76 175.69 1gks s PRO 26 N 0.56 3.39 0.99 0.00 0.04 -1.26 -4.47 135.00 134.24 1gks s PRO 26 Ca 0.71 2.13 -0.15 0.00 0.04 0.00 0.00 61.00 63.72 1gks s PRO 26 Cb -0.49 -4.31 0.19 0.00 0.04 0.00 0.00 34.50 29.93 1gks s PRO 26 CO 0.38 -1.81 1.22 -1.21 0.04 0.00 0.00 177.00 175.61 1gks s GLU 27 N 5.85 0.46 0.10 4.56 8.01 -1.26 -4.89 118.70 131.53 1gks s GLU 27 Ca 0.96 -0.12 -0.19 0.00 0.01 0.00 0.00 54.97 55.63 1gks s GLU 27 Cb -0.35 -1.80 -0.07 0.00 -4.31 0.00 0.00 34.13 27.61 1gks s GLU 27 CO 0.36 -2.58 0.60 -0.51 0.01 0.00 0.00 175.26 173.14 1gks s LEU 28 N -6.13 4.51 -0.91 1.80 1.02 -1.26 -3.77 118.68 113.93 1gks s LEU 28 Ca 0.70 1.29 -0.03 0.00 0.02 0.00 0.00 54.13 56.11 1gks s LEU 28 Cb -0.08 -3.02 0.00 0.00 0.02 0.00 0.00 46.19 43.11 1gks s LEU 28 CO 0.53 0.24 0.38 0.59 0.02 0.00 0.00 176.35 178.11 1gks n ASN 29 N 1.55 -4.27 -2.99 2.29 3.02 -1.22 -4.99 115.26 108.65 1gks n ASN 29 Ca -0.09 -0.18 -0.21 0.00 -0.03 0.00 0.00 54.58 54.07 1gks n ASN 29 Cb 0.51 -3.14 -0.03 0.00 -0.61 0.00 0.00 39.78 36.51 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 -2.89 3.39 -0.33 5.41 0.00 -1.25 -4.99 120.51 119.86 1gks n ALA 30 Ca -0.06 -3.94 0.12 0.00 0.00 0.00 0.00 53.44 49.56 1gks n ALA 30 Cb 0.57 -0.82 0.25 0.00 0.00 0.00 0.00 19.45 19.44 1gks n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1gks n PRO 31 N -0.01 -0.08 -0.34 0.00 -0.02 -1.26 -0.70 135.00 132.59 1gks n PRO 31 Ca 0.27 1.42 0.18 0.00 -2.02 0.00 0.00 63.50 63.35 1gks n PRO 31 Cb 0.57 -2.23 0.39 0.00 -0.02 0.00 0.00 33.50 32.22 1gks n PRO 31 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1gks h GLU 32 N 0.00 0.48 0.00 -0.52 3.07 -1.99 0.23 114.58 115.84 1gks h GLU 32 Ca 0.55 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.28 1gks h GLU 32 Cb 1.08 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 1gks h GLU 32 CO -0.90 0.32 -0.47 0.22 -1.40 0.00 0.00 179.01 176.78 1gks h ASP 33 N 0.49 0.00 0.66 1.42 1.82 -1.31 -3.25 116.42 116.25 1gks h ASP 33 Ca 0.65 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 57.19 1gks h ASP 33 Cb 1.30 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.29 1gks h ASP 33 CO -0.52 0.47 -1.42 0.79 -1.61 0.00 0.00 179.24 176.94 1gks n TRP 34 N -3.36 0.79 -0.27 0.28 7.02 0.37 -4.51 117.44 117.76 1gks n TRP 34 Ca 0.01 0.25 0.12 0.00 -1.02 0.00 0.00 57.50 56.86 1gks n TRP 34 Cb 0.64 -0.97 0.24 0.00 -2.42 0.00 0.00 31.31 28.80 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 -2.33 0.41 0.95 6.99 0.00 0.51 -0.45 120.51 126.59 1gks n ALA 35 Ca -0.07 0.84 0.11 0.00 0.00 0.00 0.00 53.44 54.31 1gks n ALA 35 Cb 0.73 -0.62 0.03 0.00 0.00 0.00 0.00 19.45 19.59 1gks n ALA 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1gks n ASP 36 N -5.10 2.25 -4.81 0.00 9.92 -1.26 -4.97 116.55 112.58 1gks n ASP 36 Ca 0.19 -1.63 -0.36 0.00 -0.53 0.00 0.00 54.79 52.47 1gks n ASP 36 Cb 0.62 0.33 -0.06 0.00 -0.64 0.00 0.00 41.12 41.37 1gks n ASP 36 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1gks s ARG 37 N -2.22 4.30 -0.23 -1.24 0.52 0.40 -4.98 118.95 115.50 1gks s ARG 37 Ca 0.20 0.98 -0.37 0.00 -0.52 0.00 0.00 55.73 56.02 1gks s ARG 37 Cb 0.18 -2.73 -0.14 0.00 0.52 0.00 0.00 34.95 32.78 1gks s ARG 37 CO 0.46 0.29 1.86 -2.30 0.02 0.00 0.00 175.30 175.63 1gks n PRO 38 N 0.40 1.49 0.09 3.54 -0.02 -1.26 -4.84 135.00 134.39 1gks n PRO 38 Ca 0.00 0.53 0.03 0.00 -2.02 0.00 0.00 63.50 62.05 1gks n PRO 38 Cb 0.51 -2.34 0.43 0.00 -0.02 0.00 0.00 33.50 32.08 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 8.64 0.31 -1.49 2.55 0.02 -1.93 -3.42 113.55 118.22 1gks h SER 39 Ca -0.44 -0.04 -0.53 0.00 -0.84 0.00 0.00 61.79 59.95 1gks h SER 39 Cb 1.30 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1gks h SER 39 CO 0.97 0.34 1.59 -1.20 -1.14 0.00 0.00 176.83 177.38 1gks n SER 40 N -4.38 2.36 -0.36 3.07 7.64 -1.26 -4.86 113.62 115.83 1gks n SER 40 Ca 0.00 -0.15 0.10 0.00 1.01 0.00 0.00 58.87 59.83 1gks n SER 40 Cb 0.17 -1.48 0.27 0.00 -1.01 0.00 0.00 64.21 62.17 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 7.51 0.82 -0.30 0.44 2.07 -1.99 0.13 116.25 124.94 1gks h VAL 41 Ca -0.27 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.03 1gks h VAL 41 Cb 1.27 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1gks h VAL 41 CO 1.11 0.16 0.31 -2.24 0.02 0.00 0.00 177.57 176.94 1gks h ASP 42 N 0.89 0.00 0.00 0.57 2.03 -1.96 0.16 116.42 118.11 1gks h ASP 42 Ca 0.53 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.68 1gks h ASP 42 Cb 0.67 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.15 1gks h ASP 42 CO -0.32 0.00 -0.98 -0.33 -1.03 0.00 0.00 179.24 176.58 1gks h GLU 43 N 0.00 0.00 -0.96 4.15 5.08 -1.16 -3.38 114.58 118.31 1gks h GLU 43 Ca 0.14 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.70 1gks h GLU 43 Cb 0.77 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.91 1gks h GLU 43 CO -0.00 0.66 0.54 -0.07 -1.00 0.00 0.00 179.01 179.14 1gks h LEU 44 N -1.00 0.64 -1.71 1.33 3.38 -0.74 0.13 115.31 117.34 1gks h LEU 44 Ca -0.23 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1gks h LEU 44 Cb 1.02 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1gks h LEU 44 CO -0.14 0.18 0.02 1.62 0.09 0.00 0.00 178.44 180.21 1gks h VAL 45 N 0.64 1.08 0.07 1.22 3.04 -0.90 0.09 116.25 121.49 1gks h VAL 45 Ca 0.57 -0.30 -0.00 0.00 -1.01 0.00 0.00 66.70 65.96 1gks h VAL 45 Cb 0.96 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1gks h VAL 45 CO -0.43 0.10 -0.04 -0.33 -1.01 0.00 0.00 177.57 175.87 1gks h GLU 46 N 0.20 -0.10 -0.76 4.17 4.39 -0.92 0.18 114.58 121.74 1gks h GLU 46 Ca 0.05 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.91 1gks h GLU 46 Cb 0.11 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.67 1gks h GLU 46 CO -0.00 0.20 0.25 0.77 -1.16 0.00 0.00 179.01 179.06 1gks h SER 47 N -0.39 0.15 0.18 1.42 0.02 -1.23 1.00 113.55 114.69 1gks h SER 47 Ca -0.01 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1gks h SER 47 Cb 0.34 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1gks h SER 47 CO 0.02 0.02 -0.09 0.74 -1.14 0.00 0.00 176.83 176.38 1gks h THR 48 N 0.35 0.91 -0.72 -2.27 2.02 -0.74 0.29 112.91 112.75 1gks h THR 48 Ca 0.43 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1gks h THR 48 Cb 0.71 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1gks h THR 48 CO -0.47 0.11 0.34 -0.07 0.37 0.00 0.00 175.52 175.79 1gks h LEU 49 N -0.47 0.95 0.09 2.58 3.38 0.13 -2.30 115.31 119.68 1gks h LEU 49 Ca -0.02 -0.14 -0.27 0.00 0.09 0.00 0.00 57.88 57.54 1gks h LEU 49 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1gks h LEU 49 CO 0.04 0.82 -1.29 0.00 0.09 0.00 0.00 178.44 178.10 1gks h ALA 50 N 1.16 0.22 0.00 1.53 0.00 -0.87 0.17 119.26 121.48 1gks h ALA 50 Ca 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1gks h ALA 50 Cb 0.13 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1gks h ALA 50 CO -0.03 1.10 0.00 0.41 0.00 0.00 0.00 179.25 180.73 1gks n GLY 51 N 1.53 2.63 3.44 0.00 0.00 0.10 -4.07 105.19 108.82 1gks n GLY 51 Ca -0.09 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.84 0.61 6.68 1.61 2.47 -1.19 -4.76 119.74 121.31 1gks s LYS 52 Ca 0.00 0.83 0.00 0.00 -1.56 0.00 0.00 55.97 55.24 1gks s LYS 52 Cb 0.00 0.23 0.00 0.00 -1.46 0.00 0.00 37.83 36.60 1gks s LYS 52 CO 0.00 -0.10 0.00 0.41 0.16 0.00 0.00 175.35 175.82 1gks n GLY 53 N 3.24 3.00 0.82 5.54 0.00 -1.26 -0.38 105.19 116.15 1gks n GLY 53 Ca -0.16 0.28 0.11 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 n ALA 54 N 11.54 2.56 -1.97 4.61 0.00 -1.26 -4.99 120.51 131.00 1gks n ALA 54 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 1gks n ALA 54 Cb 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1gks n ALA 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1gks s MET 55 N -1.84 4.22 0.65 0.00 0.00 0.48 -4.99 119.30 117.83 1gks s MET 55 Ca 0.24 2.29 -0.15 0.00 0.00 0.00 0.00 55.69 58.07 1gks s MET 55 Cb 0.18 -3.43 -0.00 0.00 0.00 0.00 0.00 34.83 31.57 1gks s MET 55 CO 0.29 -0.66 1.11 -1.25 0.00 0.00 0.00 175.02 174.51 1gks s PRO 56 N 2.03 2.84 0.00 4.11 0.04 -1.26 -3.18 135.00 139.59 1gks s PRO 56 Ca 0.71 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1gks s PRO 56 Cb -0.40 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 1gks s PRO 56 CO 0.31 -1.22 1.70 0.00 0.04 0.00 0.00 177.00 177.84 1gks s ALA 57 N -2.31 3.63 -0.99 8.56 0.00 -1.26 -4.33 121.76 125.06 1gks s ALA 57 Ca 0.67 1.09 0.27 0.00 0.00 0.00 0.00 51.96 53.99 1gks s ALA 57 Cb -0.21 -3.75 0.92 0.00 0.00 0.00 0.00 23.12 20.09 1gks s ALA 57 CO 0.41 -1.33 1.71 0.66 0.00 0.00 0.00 175.76 177.21 1gks n TYR 58 N 6.70 0.03 -1.47 0.00 4.01 0.46 -4.72 117.16 122.17 1gks n TYR 58 Ca 0.17 0.01 -0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1gks n TYR 58 Cb 0.42 -0.41 -0.10 0.00 -0.31 0.00 0.00 39.34 38.94 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 -1.52 0.53 0.00 7.72 2.03 -0.35 -0.21 116.55 124.75 1gks n ASP 59 Ca 0.06 -1.69 0.00 0.00 0.52 0.00 0.00 54.79 53.68 1gks n ASP 59 Cb 0.34 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 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 6.01 0.77 0.21 0.27 0.00 -1.26 -4.95 105.19 106.24 1gks n GLY 60 Ca 0.41 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 0.67 -4.82 1.61 -0.00 -0.88 -3.44 114.38 107.52 1gks h ARG 61 Ca 0.00 -0.27 -0.34 0.00 -0.50 0.00 0.00 59.98 58.87 1gks h ARG 61 Cb 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 29.97 29.70 1gks h ARG 61 CO 0.00 0.85 -0.76 0.00 0.00 0.00 0.00 179.97 180.06 1gks s ALA 62 N -4.74 0.78 0.23 0.04 0.00 -0.89 -4.65 121.76 112.53 1gks s ALA 62 Ca -0.13 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 50.85 1gks s ALA 62 Cb 0.09 -0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.07 1gks s ALA 62 CO 0.80 0.08 0.83 0.34 0.00 0.00 0.00 175.76 177.82 1gks s ASP 63 N -1.27 7.34 0.23 0.00 -1.08 -1.26 -4.63 116.67 116.00 1gks s ASP 63 Ca -0.04 1.69 0.05 0.00 -0.52 0.00 0.00 52.55 53.73 1gks s ASP 63 Cb -0.08 -2.52 0.66 0.00 -1.46 0.00 0.00 42.92 39.52 1gks s ASP 63 CO 0.01 0.09 1.11 -1.14 0.52 0.00 0.00 175.17 175.76 1gks n ARG 64 N 1.11 -0.05 -0.12 4.34 0.63 -1.26 0.38 116.66 121.69 1gks n ARG 64 Ca -0.02 1.04 -0.09 0.00 -0.92 0.00 0.00 57.85 57.85 1gks n ARG 64 Cb 0.49 -1.71 -0.01 0.00 0.45 0.00 0.00 32.46 31.69 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 0.51 0.30 -0.14 5.08 -1.99 0.14 114.58 118.49 1gks h GLU 65 Ca 0.48 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1gks h GLU 65 Cb 1.09 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1gks h GLU 65 CO -0.63 0.42 -0.34 -0.44 -1.00 0.00 0.00 179.01 177.01 1gks h ASP 66 N 0.46 -0.94 -0.13 1.42 3.32 -0.45 -1.12 116.42 118.98 1gks h ASP 66 Ca 0.13 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1gks h ASP 66 Cb 0.06 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 1gks h ASP 66 CO -0.02 -0.47 -0.52 -0.07 -1.72 0.00 0.00 179.24 176.43 1gks h LEU 67 N -0.69 -1.66 -0.69 1.55 3.38 -1.10 0.39 115.31 116.49 1gks h LEU 67 Ca -0.01 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.26 1gks h LEU 67 Cb 0.64 0.65 -0.12 0.00 0.09 0.00 0.00 40.66 41.92 1gks h LEU 67 CO -0.09 -0.47 -0.42 0.58 0.09 0.00 0.00 178.44 178.13 1gks h VAL 68 N -0.56 0.08 -0.94 1.22 2.07 -0.55 0.26 116.25 117.82 1gks h VAL 68 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1gks h VAL 68 Cb 0.66 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1gks h VAL 68 CO -0.42 0.00 0.61 0.11 0.02 0.00 0.00 177.57 177.89 1gks h LYS 69 N -0.16 1.15 0.47 1.57 1.79 -0.54 0.41 116.57 121.25 1gks h LYS 69 Ca 0.22 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1gks h LYS 69 Cb 0.56 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1gks h LYS 69 CO -0.76 0.76 -0.23 0.00 -1.08 0.00 0.00 179.45 178.14 1gks h ALA 70 N 1.39 -0.63 -0.65 3.86 0.00 0.14 -1.75 119.26 121.61 1gks h ALA 70 Ca 0.38 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.25 1gks h ALA 70 Cb 0.01 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1gks h ALA 70 CO -0.12 -0.79 0.09 0.82 0.00 0.00 0.00 179.25 179.24 1gks h ILE 71 N -0.77 0.53 -0.22 0.00 2.04 -0.34 0.17 117.51 118.93 1gks h ILE 71 Ca -0.06 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1gks h ILE 71 Cb 0.55 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1gks h ILE 71 CO 0.11 0.04 -0.13 -0.33 0.00 0.00 0.00 178.15 177.83 1gks h GLU 72 N 0.20 -0.11 -0.15 2.37 4.39 -0.74 0.24 114.58 120.77 1gks h GLU 72 Ca 0.35 0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.08 1gks h GLU 72 Cb 0.57 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1gks h GLU 72 CO -0.50 -0.07 -0.01 -0.92 -1.16 0.00 0.00 179.01 176.35 1gks h TYR 73 N -0.11 -0.03 -0.32 4.33 3.20 -0.06 0.12 116.97 124.10 1gks h TYR 73 Ca 0.12 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.07 1gks h TYR 73 Cb 0.30 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 1gks h TYR 73 CO -0.29 -0.03 -0.33 0.52 -1.64 0.00 0.00 178.16 176.39 1gks h MET 74 N 0.03 -0.29 -0.46 1.82 2.86 -0.18 -0.81 114.93 117.90 1gks h MET 74 Ca 0.07 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1gks h MET 74 Cb 0.09 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1gks h MET 74 CO -0.13 -0.19 0.20 -0.07 1.06 0.00 0.00 176.91 177.78 1gks h LEU 75 N -0.30 0.59 -3.44 1.22 3.38 -0.67 -3.14 115.31 112.95 1gks h LEU 75 Ca 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1gks h LEU 75 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1gks h LEU 75 CO -0.49 0.52 -0.02 -1.20 0.09 0.00 0.00 178.44 177.34 1gks n SER 76 N -4.38 3.74 0.00 -0.43 7.64 0.39 -2.02 113.62 118.57 1gks n SER 76 Ca 0.04 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1gks n SER 76 Cb 0.14 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 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 1.79 0.00 1.17 0.44 -2.24 -1.19 -4.99 114.28 109.27 1gks n THR 77 Ca 0.04 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1gks n THR 77 Cb 0.39 1.57 0.25 0.00 -2.10 0.00 0.00 70.33 70.44 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68