#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 0.61 0.62 0.44 0.00 -2.00 0.15 103.07 102.90 1gks h GLY 2 Ca 0.00 0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.68 1gks h GLY 2 CO 0.00 -0.32 0.60 1.05 0.00 0.00 0.00 176.54 177.88 1gks h GLU 3 N 0.00 1.01 -0.87 4.80 9.09 -1.95 -2.06 114.58 124.60 1gks h GLU 3 Ca 0.40 -0.06 0.14 0.00 0.05 0.00 0.00 59.36 59.89 1gks h GLU 3 Cb 0.62 -0.23 -0.09 0.00 -1.65 0.00 0.00 28.75 27.40 1gks h GLU 3 CO -0.84 0.67 0.47 0.77 0.05 0.00 0.00 179.01 180.13 1gks h SER 4 N 1.04 0.61 0.91 3.06 0.02 -1.10 0.96 113.55 119.05 1gks h SER 4 Ca 0.44 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.43 1gks h SER 4 Cb 0.30 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1gks h SER 4 CO -0.21 0.28 -0.47 0.40 -1.14 0.00 0.00 176.83 175.68 1gks h ILE 5 N 0.69 0.04 0.11 3.27 2.04 -1.37 0.17 117.51 122.47 1gks h ILE 5 Ca 0.47 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.32 1gks h ILE 5 Cb 0.61 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1gks h ILE 5 CO -0.34 0.00 -0.08 0.22 0.00 0.00 0.00 178.15 177.96 1gks h TYR 6 N -1.27 -0.20 -0.26 1.37 5.03 -1.42 0.51 116.97 120.74 1gks h TYR 6 Ca -0.12 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.15 1gks h TYR 6 Cb 0.99 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.33 1gks h TYR 6 CO -0.04 -0.12 0.02 0.82 -1.32 0.00 0.00 178.16 177.52 1gks h ILE 7 N -0.19 1.24 0.00 1.81 1.08 -0.81 -2.69 117.51 117.96 1gks h ILE 7 Ca -0.00 -0.85 -0.15 0.00 -0.39 0.00 0.00 64.86 63.47 1gks h ILE 7 Cb 0.17 1.30 -0.12 0.00 -3.07 0.00 0.00 36.82 35.10 1gks h ILE 7 CO -0.00 0.27 -0.19 -0.46 -0.69 0.00 0.00 178.15 177.07 1gks n ASN 8 N -4.65 -1.33 -2.30 1.72 2.04 0.41 -4.56 115.26 106.60 1gks n ASN 8 Ca -0.03 -2.03 -0.00 0.00 -0.44 0.00 0.00 54.58 52.07 1gks n ASN 8 Cb 0.23 0.72 0.05 0.00 -2.53 0.00 0.00 39.78 38.24 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 -0.92 1.53 3.11 4.83 0.00 0.15 -4.83 105.19 109.05 1gks n GLY 9 Ca -0.12 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.63 0.48 -0.14 2.61 -4.23 -1.06 -4.64 115.64 107.03 1gks s THR 10 Ca 0.21 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 1gks s THR 10 Cb 0.33 -1.31 0.06 0.00 1.34 0.00 0.00 72.50 72.92 1gks s THR 10 CO -0.08 -0.79 0.13 0.00 -0.54 0.00 0.00 174.62 173.34 1gks s ALA 11 N -3.10 0.11 0.69 3.99 0.00 -1.26 -2.76 121.76 119.43 1gks s ALA 11 Ca 0.04 0.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 1gks s ALA 11 Cb 0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1gks s ALA 11 CO -0.05 -0.96 0.85 -2.30 0.00 0.00 0.00 175.76 173.31 1gks n PRO 12 N 5.30 0.53 -2.00 0.00 -0.02 -1.26 -4.92 135.00 132.62 1gks n PRO 12 Ca -0.06 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1gks n PRO 12 Cb 0.49 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 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 -1.78 3.21 0.13 3.45 -4.23 -1.11 -4.92 115.64 110.39 1gks s THR 13 Ca 0.72 0.65 -0.21 0.00 -1.18 0.00 0.00 61.69 61.67 1gks s THR 13 Cb -0.36 -3.41 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 1gks s THR 13 CO 0.51 -0.00 1.68 0.00 -0.54 0.00 0.00 174.62 176.27 1gks n SER 15 N -5.27 -0.93 -0.34 0.00 3.41 -1.02 -1.38 113.62 108.10 1gks n SER 15 Ca -0.02 1.66 0.30 0.00 -0.26 0.00 0.00 58.87 60.55 1gks n SER 15 Cb 0.19 -0.25 0.56 0.00 -0.26 0.00 0.00 64.21 64.45 1gks n SER 15 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1gks h SER 16 N 0.00 0.37 0.00 4.04 0.02 -1.84 0.14 113.55 116.28 1gks h SER 16 Ca 0.14 0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 61.23 1gks h SER 16 Cb 0.36 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1gks h SER 16 CO -0.82 -0.33 -0.86 0.00 -1.14 0.00 0.00 176.83 173.68 1gks h HIS 18 N -1.00 1.11 -0.97 0.00 3.86 -0.89 0.38 115.15 117.65 1gks h HIS 18 Ca -0.13 0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.32 1gks h HIS 18 Cb 0.82 -0.37 -0.12 0.00 1.06 0.00 0.00 27.41 28.80 1gks h HIS 18 CO -0.15 0.73 0.53 0.22 0.86 0.00 0.00 177.93 180.12 1gks h ASP 19 N 1.17 0.56 -0.15 2.45 3.58 -0.95 -0.78 116.42 122.30 1gks h ASP 19 Ca 0.31 0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.84 1gks h ASP 19 Cb -0.07 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1gks h ASP 19 CO -0.06 0.07 -0.18 0.54 -2.88 0.00 0.00 179.24 176.73 1gks n ARG 20 N -4.94 1.80 -4.14 0.28 5.12 -1.11 -4.78 116.66 108.88 1gks n ARG 20 Ca 0.25 -3.03 -0.33 0.00 -1.93 0.00 0.00 57.85 52.81 1gks n ARG 20 Cb 0.72 -1.69 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 1gks n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gks n GLY 21 N -1.10 -0.38 3.67 -0.13 0.00 -0.30 -4.85 105.19 102.09 1gks n GLY 21 Ca 0.23 0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.41 1.38 -2.49 1.61 0.31 0.06 -0.77 118.33 114.02 1gks n VAL 22 Ca -0.04 -0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 63.80 1gks n VAL 22 Cb 0.55 -1.43 -0.01 0.00 -0.91 0.00 0.00 33.84 32.05 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 1.23 -0.78 -1.48 3.52 0.00 -1.26 -0.80 120.51 120.94 1gks n ALA 23 Ca 0.09 0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 1gks n ALA 23 Cb 0.33 -1.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 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 0.56 3.75 0.00 0.00 0.05 -4.84 105.19 103.85 1gks n GLY 24 Ca -0.15 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 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 0.28 1.82 -1.67 4.61 0.00 0.02 -4.88 120.51 120.69 1gks n ALA 25 Ca -0.06 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 1gks n ALA 25 Cb 0.30 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 1gks n ALA 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gks n PRO 26 N -0.18 2.84 -1.56 0.00 -0.04 -1.26 -4.40 135.00 130.40 1gks n PRO 26 Ca 0.06 1.04 -0.30 0.00 -0.04 0.00 0.00 63.50 64.26 1gks n PRO 26 Cb 0.41 -2.98 0.20 0.00 -0.04 0.00 0.00 33.50 31.09 1gks n PRO 26 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1gks s GLU 27 N 3.96 0.02 -0.07 0.54 2.02 -1.26 -4.87 118.70 119.04 1gks s GLU 27 Ca 0.87 -0.18 -0.10 0.00 0.02 0.00 0.00 54.97 55.58 1gks s GLU 27 Cb -0.45 -1.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 1gks s GLU 27 CO 0.41 -2.87 0.24 -1.17 0.02 0.00 0.00 175.26 171.90 1gks s LEU 28 N -6.30 4.42 -1.18 1.80 2.96 -1.26 -4.02 118.68 115.09 1gks s LEU 28 Ca 0.71 0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 55.23 1gks s LEU 28 Cb -0.08 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.31 1gks s LEU 28 CO 0.54 0.37 0.55 0.59 -1.32 0.00 0.00 176.35 177.07 1gks n ASN 29 N 1.84 -5.17 -3.33 3.68 3.02 -1.26 -4.99 115.26 109.06 1gks n ASN 29 Ca -0.17 -0.25 -0.26 0.00 -0.03 0.00 0.00 54.58 53.87 1gks n ASN 29 Cb 0.54 -3.97 -0.08 0.00 -0.61 0.00 0.00 39.78 35.66 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 -3.37 3.12 -0.37 5.41 0.00 -1.26 -4.95 120.51 119.09 1gks n ALA 30 Ca -0.07 -3.94 -0.08 0.00 0.00 0.00 0.00 53.44 49.34 1gks n ALA 30 Cb 0.59 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 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 4.25 -0.05 -0.86 0.00 0.11 -1.92 -1.56 132.00 131.97 1gks h PRO 31 Ca 0.14 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.45 1gks h PRO 31 Cb 0.79 0.01 -0.16 0.00 0.11 0.00 0.00 31.00 31.76 1gks h PRO 31 CO 0.61 -0.04 -0.05 1.05 -0.21 0.00 0.00 178.00 179.36 1gks h GLU 32 N -0.05 0.05 -0.99 1.05 9.09 -1.97 0.19 114.58 121.94 1gks h GLU 32 Ca 0.21 -0.00 0.15 0.00 0.05 0.00 0.00 59.36 59.76 1gks h GLU 32 Cb 0.49 -0.01 -0.09 0.00 -1.65 0.00 0.00 28.75 27.49 1gks h GLU 32 CO -0.90 0.03 0.62 -0.44 0.05 0.00 0.00 179.01 178.37 1gks h ASP 33 N 0.05 0.84 0.45 3.06 5.19 -1.66 -0.52 116.42 123.83 1gks h ASP 33 Ca 0.47 0.06 -0.29 0.00 -0.62 0.00 0.00 57.03 56.65 1gks h ASP 33 Cb 0.86 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.22 1gks h ASP 33 CO -0.81 0.39 -1.76 0.79 -3.12 0.00 0.00 179.24 174.73 1gks n TRP 34 N -4.66 0.91 -0.29 4.55 7.02 0.30 -3.54 117.44 121.73 1gks n TRP 34 Ca 0.20 0.33 -0.05 0.00 -1.02 0.00 0.00 57.50 56.96 1gks n TRP 34 Cb 0.45 -1.17 0.07 0.00 -2.42 0.00 0.00 31.31 28.24 1gks n TRP 34 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gks h ALA 35 N 1.01 1.01 -0.59 6.99 0.00 -0.01 -2.72 119.26 124.96 1gks h ALA 35 Ca -0.30 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1gks h ALA 35 Cb 2.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1gks h ALA 35 CO 0.07 0.56 0.14 -0.44 0.00 0.00 0.00 179.25 179.59 1gks h ASP 36 N 1.11 0.89 -4.38 0.00 3.32 -1.25 -3.45 116.42 112.66 1gks h ASP 36 Ca 0.27 -0.23 -0.49 0.00 0.02 0.00 0.00 57.03 56.60 1gks h ASP 36 Cb 0.09 -0.23 0.10 0.00 0.22 0.00 0.00 39.33 39.50 1gks h ASP 36 CO -0.04 0.89 0.37 -0.13 -1.72 0.00 0.00 179.24 178.61 1gks s ARG 37 N -5.31 2.44 -0.89 3.56 0.52 -1.03 -4.93 118.95 113.31 1gks s ARG 37 Ca -0.13 0.56 -0.25 0.00 -0.52 0.00 0.00 55.73 55.39 1gks s ARG 37 Cb 0.13 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.57 1gks s ARG 37 CO 0.82 -1.36 2.04 -1.25 0.02 0.00 0.00 175.30 175.57 1gks s PRO 38 N -5.25 2.36 0.64 3.54 0.04 -1.26 -4.78 135.00 130.29 1gks s PRO 38 Ca 0.60 -0.15 0.30 0.00 0.04 0.00 0.00 61.00 61.78 1gks s PRO 38 Cb -0.13 -5.01 1.62 0.00 0.04 0.00 0.00 34.50 31.02 1gks s PRO 38 CO 0.53 -3.61 1.95 0.77 0.04 0.00 0.00 177.00 176.67 1gks h SER 39 N 11.54 0.00 -1.27 6.66 0.02 -1.87 -3.38 113.55 125.25 1gks h SER 39 Ca 0.08 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.39 1gks h SER 39 Cb 1.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1gks h SER 39 CO 1.17 0.00 1.45 -1.20 -1.14 0.00 0.00 176.83 177.11 1gks n SER 40 N -3.18 2.34 -0.29 3.07 7.64 -1.26 -4.86 113.62 117.08 1gks n SER 40 Ca 0.01 0.33 0.10 0.00 1.01 0.00 0.00 58.87 60.32 1gks n SER 40 Cb 0.43 -1.33 0.26 0.00 -1.01 0.00 0.00 64.21 62.56 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 7.14 0.47 -0.33 0.44 2.07 -1.99 0.21 116.25 124.27 1gks h VAL 41 Ca -0.29 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.21 1gks h VAL 41 Cb 1.30 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1gks h VAL 41 CO 1.02 0.06 0.25 -2.24 0.02 0.00 0.00 177.57 176.68 1gks h ASP 42 N 0.33 0.00 0.00 0.57 2.03 -1.94 0.61 116.42 118.03 1gks h ASP 42 Ca 0.51 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.73 1gks h ASP 42 Cb 0.93 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.42 1gks h ASP 42 CO -0.54 0.00 -0.59 -0.33 -1.03 0.00 0.00 179.24 176.75 1gks h GLU 43 N 0.00 0.00 -0.88 4.15 5.08 -0.95 -3.38 114.58 118.60 1gks h GLU 43 Ca 0.16 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.75 1gks h GLU 43 Cb 0.66 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.77 1gks h GLU 43 CO -0.00 0.47 0.25 -0.07 -1.00 0.00 0.00 179.01 178.65 1gks h LEU 44 N -1.00 0.02 -1.27 1.33 3.38 -0.85 0.14 115.31 117.06 1gks h LEU 44 Ca -0.11 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1gks h LEU 44 Cb 0.75 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1gks h LEU 44 CO -0.07 -0.15 0.51 1.62 0.09 0.00 0.00 178.44 180.44 1gks h VAL 45 N 0.22 1.12 -0.18 1.22 3.04 -1.08 0.72 116.25 121.31 1gks h VAL 45 Ca 0.55 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 65.89 1gks h VAL 45 Cb 1.12 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1gks h VAL 45 CO -0.65 0.17 0.02 -0.33 -1.01 0.00 0.00 177.57 175.77 1gks h GLU 46 N 0.95 0.31 -0.57 4.17 4.39 -0.89 0.18 114.58 123.11 1gks h GLU 46 Ca 0.30 -0.09 0.10 0.00 0.34 0.00 0.00 59.36 60.01 1gks h GLU 46 Cb 0.04 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.58 1gks h GLU 46 CO -0.09 0.49 0.16 0.77 -1.16 0.00 0.00 179.01 179.18 1gks h SER 47 N 0.08 0.08 -0.27 1.42 0.02 -1.09 0.34 113.55 114.13 1gks h SER 47 Ca 0.05 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1gks h SER 47 Cb 0.34 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1gks h SER 47 CO 0.01 0.06 0.08 0.74 -1.14 0.00 0.00 176.83 176.57 1gks h THR 48 N 0.30 1.20 0.24 -2.27 2.02 -0.54 0.29 112.91 114.15 1gks h THR 48 Ca 0.29 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1gks h THR 48 Cb 0.40 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1gks h THR 48 CO -0.35 0.21 -0.24 -0.07 0.37 0.00 0.00 175.52 175.44 1gks h LEU 49 N 0.26 -0.65 -0.95 2.58 3.38 0.01 -2.68 115.31 117.26 1gks h LEU 49 Ca 0.09 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1gks h LEU 49 Cb 0.25 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1gks h LEU 49 CO -0.00 -0.35 -0.47 0.00 0.09 0.00 0.00 178.44 177.70 1gks h ALA 50 N 0.16 1.06 0.00 1.53 0.00 -0.92 0.15 119.26 121.24 1gks h ALA 50 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gks h ALA 50 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1gks h ALA 50 CO -0.06 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1gks n GLY 51 N 0.09 1.16 3.54 0.00 0.00 0.10 -4.00 105.19 106.07 1gks n GLY 51 Ca -0.01 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.97 0.58 7.20 1.61 2.20 -0.04 -4.75 119.74 123.56 1gks s LYS 52 Ca 0.00 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1gks s LYS 52 Cb 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1gks s LYS 52 CO 0.00 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1gks n GLY 53 N 4.71 4.14 0.08 5.54 0.00 -1.26 -0.35 105.19 118.06 1gks n GLY 53 Ca -0.17 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 12.62 2.52 -2.23 4.61 0.00 -1.26 -4.81 120.51 131.96 1gks n ALA 54 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 1gks n ALA 54 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 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 -3.11 4.08 0.76 0.00 0.00 0.53 -5.00 119.30 116.56 1gks s MET 55 Ca 0.09 1.76 -0.11 0.00 0.00 0.00 0.00 55.69 57.44 1gks s MET 55 Cb 0.13 -3.90 0.05 0.00 0.00 0.00 0.00 34.83 31.11 1gks s MET 55 CO 0.64 -0.93 1.08 -1.25 0.00 0.00 0.00 175.02 174.56 1gks s PRO 56 N 4.00 2.34 0.23 4.11 0.04 -1.26 -0.86 135.00 143.60 1gks s PRO 56 Ca 0.64 1.07 -0.31 0.00 0.04 0.00 0.00 61.00 62.44 1gks s PRO 56 Cb -0.25 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1gks s PRO 56 CO 0.23 -1.56 1.55 0.00 0.04 0.00 0.00 177.00 177.26 1gks s ALA 57 N -2.95 3.74 -0.78 8.56 0.00 -1.26 -4.24 121.76 124.83 1gks s ALA 57 Ca 0.61 1.43 0.19 0.00 0.00 0.00 0.00 51.96 54.19 1gks s ALA 57 Cb -0.16 -3.61 -0.23 0.00 0.00 0.00 0.00 23.12 19.12 1gks s ALA 57 CO 0.56 -0.84 0.77 0.66 0.00 0.00 0.00 175.76 176.91 1gks n TYR 58 N 2.92 0.00 -1.63 0.00 4.01 0.34 -4.88 117.16 117.91 1gks n TYR 58 Ca 0.10 0.00 -0.58 0.00 -0.16 0.00 0.00 57.90 57.26 1gks n TYR 58 Cb 0.38 -0.07 -0.08 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.57 2.01 0.00 7.72 2.03 -0.13 -0.27 116.55 126.34 1gks n ASP 59 Ca 0.03 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.29 1gks n ASP 59 Cb 0.34 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 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 4.86 2.99 0.11 0.27 0.00 -1.26 -4.78 105.19 107.37 1gks n GLY 60 Ca 0.32 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 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 0.98 0.10 -6.19 1.61 3.08 -0.98 -3.45 114.38 109.51 1gks h ARG 61 Ca 0.00 -0.17 -0.68 0.00 0.07 0.00 0.00 59.98 59.20 1gks h ARG 61 Cb 0.00 0.06 -0.17 0.00 0.08 0.00 0.00 29.97 29.94 1gks h ARG 61 CO 0.00 1.08 -0.69 0.00 -1.07 0.00 0.00 179.97 179.29 1gks s ALA 62 N -2.38 3.05 0.02 0.04 0.00 -0.08 -5.01 121.76 117.40 1gks s ALA 62 Ca -0.23 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 1gks s ALA 62 Cb 0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1gks s ALA 62 CO 0.68 0.60 0.96 0.34 0.00 0.00 0.00 175.76 178.34 1gks s ASP 63 N -1.15 7.38 0.12 0.00 -1.08 -1.26 -4.64 116.67 116.04 1gks s ASP 63 Ca 0.15 1.66 -0.03 0.00 -0.52 0.00 0.00 52.55 53.81 1gks s ASP 63 Cb -0.11 -2.57 0.20 0.00 -1.46 0.00 0.00 42.92 38.98 1gks s ASP 63 CO 0.05 -0.21 0.65 -1.14 0.52 0.00 0.00 175.17 175.04 1gks n ARG 64 N 3.65 -0.04 -0.00 4.34 0.00 -1.26 0.16 116.66 123.50 1gks n ARG 64 Ca 0.05 0.65 -0.11 0.00 -0.00 0.00 0.00 57.85 58.44 1gks n ARG 64 Cb 0.51 -0.97 -0.06 0.00 0.00 0.00 0.00 32.46 31.93 1gks n ARG 64 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1gks h GLU 65 N 0.00 0.12 -0.27 -0.14 4.39 -1.99 0.77 114.58 117.47 1gks h GLU 65 Ca 0.20 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1gks h GLU 65 Cb 0.31 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1gks h GLU 65 CO -0.43 0.15 0.18 -0.44 -1.16 0.00 0.00 179.01 177.30 1gks h ASP 66 N 0.07 0.31 0.11 1.42 5.19 -0.67 -0.25 116.42 122.60 1gks h ASP 66 Ca 0.03 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.45 1gks h ASP 66 Cb 0.06 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 39.44 1gks h ASP 66 CO -0.01 0.22 -0.49 -0.07 -3.12 0.00 0.00 179.24 175.78 1gks h LEU 67 N 0.36 -1.46 -0.52 1.55 3.38 -0.81 -0.06 115.31 117.76 1gks h LEU 67 Ca 0.10 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1gks h LEU 67 Cb -0.04 0.54 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 1gks h LEU 67 CO -0.02 -0.53 -0.34 0.58 0.09 0.00 0.00 178.44 178.21 1gks h VAL 68 N -0.72 0.18 -0.54 1.22 2.07 -0.57 0.22 116.25 118.12 1gks h VAL 68 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1gks h VAL 68 Cb 0.73 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1gks h VAL 68 CO -0.28 0.00 0.27 0.11 0.02 0.00 0.00 177.57 177.69 1gks h LYS 69 N -0.20 0.49 -0.68 1.57 1.79 -0.65 0.11 116.57 118.99 1gks h LYS 69 Ca 0.21 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.60 1gks h LYS 69 Cb 0.55 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1gks h LYS 69 CO -0.63 0.33 0.25 0.00 -1.08 0.00 0.00 179.45 178.32 1gks h ALA 70 N 1.30 0.89 0.44 3.86 0.00 0.35 -0.75 119.26 125.35 1gks h ALA 70 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1gks h ALA 70 Cb 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gks h ALA 70 CO -0.18 0.53 -0.21 0.82 0.00 0.00 0.00 179.25 180.21 1gks h ILE 71 N 0.97 0.50 -0.90 0.00 2.04 -0.07 0.68 117.51 120.73 1gks h ILE 71 Ca 0.22 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.70 1gks h ILE 71 Cb 0.25 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1gks h ILE 71 CO -0.01 0.07 0.60 1.05 0.00 0.00 0.00 178.15 179.85 1gks h GLU 72 N -0.85 1.13 -0.04 2.37 -0.00 -0.76 0.11 114.58 116.54 1gks h GLU 72 Ca -0.06 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.24 1gks h GLU 72 Cb 0.56 -0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 29.05 1gks h GLU 72 CO 0.10 0.75 0.01 -0.92 -0.00 0.00 0.00 179.01 178.95 1gks h TYR 73 N 1.17 0.01 -0.03 2.06 3.20 -1.02 0.11 116.97 122.48 1gks h TYR 73 Ca 0.35 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.26 1gks h TYR 73 Cb -0.05 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1gks h TYR 73 CO -0.00 0.00 -0.27 1.98 -1.64 0.00 0.00 178.16 178.24 1gks h MET 74 N 0.03 -0.38 -0.94 1.82 4.05 0.22 -2.15 114.93 117.57 1gks h MET 74 Ca 0.02 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.55 1gks h MET 74 Cb 0.01 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 30.83 1gks h MET 74 CO -0.03 -0.25 0.61 -0.07 0.23 0.00 0.00 176.91 177.40 1gks h LEU 75 N -0.40 0.90 0.00 3.39 3.38 -0.54 -2.35 115.31 119.70 1gks h LEU 75 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1gks h LEU 75 Cb 0.50 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1gks h LEU 75 CO -0.25 0.54 0.00 -1.54 0.09 0.00 0.00 178.44 177.28 1gks n SER 76 N -4.53 0.00 -0.15 -0.43 3.41 0.36 -0.80 113.62 111.48 1gks n SER 76 Ca 0.16 0.30 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 1gks n SER 76 Cb 0.26 -0.32 0.51 0.00 -0.26 0.00 0.00 64.21 64.40 1gks n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1gks n THR 77 N -1.32 0.00 -1.44 6.66 -2.24 -0.88 -5.10 114.28 109.96 1gks n THR 77 Ca 0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1gks n THR 77 Cb 0.02 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1gks n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50