#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 2.09 0.96 0.27 0.00 -1.93 0.31 103.07 104.77 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 -0.54 0.18 1.05 0.00 0.00 0.00 176.54 177.23 1gks h GLU 3 N 0.27 0.68 0.22 4.80 9.09 -1.91 0.82 114.58 128.55 1gks h GLU 3 Ca 0.75 -0.13 -0.00 0.00 0.05 0.00 0.00 59.36 60.04 1gks h GLU 3 Cb 1.78 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 28.76 1gks h GLU 3 CO -0.63 0.62 -0.19 0.77 0.05 0.00 0.00 179.01 179.64 1gks h SER 4 N 0.59 -0.50 0.39 3.06 0.02 -0.83 0.65 113.55 116.93 1gks h SER 4 Ca 0.15 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1gks h SER 4 Cb 0.20 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1gks h SER 4 CO -0.01 -0.29 -0.49 0.40 -1.14 0.00 0.00 176.83 175.30 1gks h ILE 5 N -0.43 0.05 0.11 3.27 2.04 -1.13 0.20 117.51 121.61 1gks h ILE 5 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1gks h ILE 5 Cb 0.39 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1gks h ILE 5 CO -0.02 0.00 -0.12 0.22 0.00 0.00 0.00 178.15 178.22 1gks h TYR 6 N -0.91 -0.31 -0.14 1.37 5.03 -0.79 0.14 116.97 121.36 1gks h TYR 6 Ca -0.04 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.15 1gks h TYR 6 Cb 0.82 0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.23 1gks h TYR 6 CO -0.30 -0.19 -0.37 0.82 -1.32 0.00 0.00 178.16 176.80 1gks h ILE 7 N -0.26 1.36 -0.03 1.81 2.04 -0.79 -2.63 117.51 119.00 1gks h ILE 7 Ca 0.01 -1.66 -0.19 0.00 1.00 0.00 0.00 64.86 64.02 1gks h ILE 7 Cb 0.26 2.06 -0.16 0.00 -0.74 0.00 0.00 36.82 38.23 1gks h ILE 7 CO -0.04 0.50 -0.34 -0.46 0.00 0.00 0.00 178.15 177.80 1gks n ASN 8 N -4.32 -1.50 -2.33 1.72 2.04 0.54 -4.62 115.26 106.78 1gks n ASN 8 Ca -0.07 -2.32 -0.01 0.00 -0.44 0.00 0.00 54.58 51.74 1gks n ASN 8 Cb 0.52 0.76 0.06 0.00 -2.53 0.00 0.00 39.78 38.59 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 -1.14 1.59 3.08 4.83 0.00 0.01 -4.82 105.19 108.75 1gks n GLY 9 Ca -0.11 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.39 0.32 -0.21 2.61 -4.23 -1.05 -4.59 115.64 107.10 1gks s THR 10 Ca 0.18 -1.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 1gks s THR 10 Cb 0.33 -1.27 0.07 0.00 1.34 0.00 0.00 72.50 72.97 1gks s THR 10 CO -0.08 -0.84 0.08 0.00 -0.54 0.00 0.00 174.62 173.23 1gks s ALA 11 N -3.25 0.75 0.88 3.99 0.00 -1.26 -2.55 121.76 120.32 1gks s ALA 11 Ca 0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 51.96 51.21 1gks s ALA 11 Cb 0.03 -1.18 0.08 0.00 0.00 0.00 0.00 23.12 22.06 1gks s ALA 11 CO -0.07 -1.27 0.92 -2.30 0.00 0.00 0.00 175.76 173.04 1gks n PRO 12 N 5.16 -0.16 -2.14 0.00 -0.02 -1.26 -4.86 135.00 131.72 1gks n PRO 12 Ca -0.07 0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 61.00 1gks n PRO 12 Cb 0.47 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 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 -2.36 3.77 0.23 3.45 -4.23 -1.06 -4.91 115.64 110.55 1gks s THR 13 Ca 0.66 0.90 -0.09 0.00 -1.18 0.00 0.00 61.69 61.98 1gks s THR 13 Cb -0.25 -3.69 0.27 0.00 1.34 0.00 0.00 72.50 70.16 1gks s THR 13 CO 0.58 -0.20 1.63 0.00 -0.54 0.00 0.00 174.62 176.09 1gks h SER 15 N 0.06 -0.34 -0.91 0.00 4.64 -1.72 -0.17 113.55 115.10 1gks h SER 15 Ca 0.38 0.22 0.26 0.00 -0.47 0.00 0.00 61.79 62.18 1gks h SER 15 Cb 0.63 0.38 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 1gks h SER 15 CO -0.68 -0.23 0.65 0.28 -0.87 0.00 0.00 176.83 175.99 1gks h SER 16 N 0.09 0.02 0.00 4.97 0.02 -1.46 0.14 113.55 117.34 1gks h SER 16 Ca 0.49 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.28 1gks h SER 16 Cb 0.92 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1gks h SER 16 CO -0.74 0.01 -1.47 0.00 -1.14 0.00 0.00 176.83 173.49 1gks h HIS 18 N -0.92 0.00 0.05 0.00 3.86 -1.00 0.27 115.15 117.41 1gks h HIS 18 Ca -0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1gks h HIS 18 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1gks h HIS 18 CO -0.28 0.18 -0.03 0.22 0.86 0.00 0.00 177.93 178.89 1gks h ASP 19 N 0.00 -0.06 1.22 2.45 3.58 -0.91 -3.20 116.42 119.50 1gks h ASP 19 Ca -0.00 -0.30 -0.15 0.00 0.42 0.00 0.00 57.03 57.00 1gks h ASP 19 Cb 0.73 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1gks h ASP 19 CO 0.02 0.27 -0.80 -0.09 -2.88 0.00 0.00 179.24 175.76 1gks h ARG 20 N -0.40 0.00 -1.54 0.28 1.12 -1.71 -3.44 114.38 108.69 1gks h ARG 20 Ca -0.01 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1gks h ARG 20 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1gks h ARG 20 CO 0.01 0.64 -0.01 0.41 -3.11 0.00 0.00 179.97 177.91 1gks n GLY 21 N 1.30 0.70 3.76 2.80 0.00 0.76 -4.99 105.19 109.51 1gks n GLY 21 Ca -0.01 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.01 2.20 -1.11 1.61 0.11 -0.16 -1.87 120.40 118.17 1gks s VAL 22 Ca 0.01 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1gks s VAL 22 Cb -0.00 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 1gks s VAL 22 CO 0.01 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 171.80 1gks n ALA 23 N -0.45 -0.76 -1.26 1.54 0.00 -1.26 -0.66 120.51 117.66 1gks n ALA 23 Ca 0.07 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.54 1gks n ALA 23 Cb 0.43 -1.55 -0.03 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 -0.81 0.92 3.73 0.00 0.00 -0.78 -4.97 105.19 103.28 1gks n GLY 24 Ca -0.15 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 1.04 2.04 -1.74 4.61 0.00 0.17 -4.88 120.51 121.74 1gks n ALA 25 Ca -0.08 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1gks n ALA 25 Cb 0.26 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 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 -1.28 4.13 0.65 0.00 0.04 -1.26 -4.38 135.00 132.90 1gks s PRO 26 Ca 0.59 2.59 0.01 0.00 0.04 0.00 0.00 61.00 64.23 1gks s PRO 26 Cb -0.53 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 30.86 1gks s PRO 26 CO 0.56 -0.77 0.90 -1.21 0.04 0.00 0.00 177.00 176.52 1gks s GLU 27 N 1.67 2.06 0.78 4.56 2.02 -1.26 -4.82 118.70 123.71 1gks s GLU 27 Ca 0.76 -1.01 -0.12 0.00 0.02 0.00 0.00 54.97 54.62 1gks s GLU 27 Cb -0.48 -2.41 0.06 0.00 0.10 0.00 0.00 34.13 31.40 1gks s GLU 27 CO 0.33 -1.12 1.12 -0.51 0.02 0.00 0.00 175.26 175.10 1gks s LEU 28 N -4.97 2.60 -1.18 1.80 2.01 -1.26 -4.07 118.68 113.62 1gks s LEU 28 Ca 0.62 1.06 -0.09 0.00 0.01 0.00 0.00 54.13 55.74 1gks s LEU 28 Cb -0.07 -3.67 0.07 0.00 0.01 0.00 0.00 46.19 42.52 1gks s LEU 28 CO 0.42 -1.80 0.40 0.59 1.01 0.00 0.00 176.35 176.96 1gks n ASN 29 N -3.29 -3.31 -3.18 2.29 5.03 0.77 -4.89 115.26 108.68 1gks n ASN 29 Ca 0.07 -0.31 -0.19 0.00 0.87 0.00 0.00 54.58 55.03 1gks n ASN 29 Cb 0.58 -2.78 -0.03 0.00 -1.02 0.00 0.00 39.78 36.53 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gks n ALA 30 N -3.33 2.00 -0.36 5.41 0.00 -1.26 -4.97 120.51 118.01 1gks n ALA 30 Ca -0.02 -3.37 0.08 0.00 0.00 0.00 0.00 53.44 50.14 1gks n ALA 30 Cb 0.54 -0.92 0.17 0.00 0.00 0.00 0.00 19.45 19.24 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 3.12 0.00 -0.98 0.00 0.11 -1.89 0.96 132.00 133.32 1gks h PRO 31 Ca 0.09 -0.00 0.29 0.00 0.11 0.00 0.00 66.00 66.49 1gks h PRO 31 Cb 0.96 -0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.93 1gks h PRO 31 CO 0.49 0.00 0.51 0.93 -0.21 0.00 0.00 178.00 179.72 1gks h GLU 32 N 0.00 0.35 0.00 1.05 3.07 -1.97 0.23 114.58 117.32 1gks h GLU 32 Ca 0.51 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.32 1gks h GLU 32 Cb 0.84 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1gks h GLU 32 CO -1.01 0.23 -0.10 -0.44 -1.40 0.00 0.00 179.01 176.29 1gks h ASP 33 N 0.36 0.00 0.00 1.42 5.19 -1.17 -3.13 116.42 119.09 1gks h ASP 33 Ca 0.68 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.86 1gks h ASP 33 Cb 1.45 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.92 1gks h ASP 33 CO -0.58 0.10 -1.92 0.79 -3.12 0.00 0.00 179.24 174.51 1gks n TRP 34 N -3.84 0.00 -0.28 4.55 7.02 0.44 -4.68 117.44 120.65 1gks n TRP 34 Ca -0.02 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.59 1gks n TRP 34 Cb 0.20 -0.64 0.25 0.00 -2.42 0.00 0.00 31.31 28.70 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 -2.45 0.44 -1.39 6.99 0.00 0.52 -0.59 120.51 124.04 1gks n ALA 35 Ca -0.20 0.87 -0.14 0.00 0.00 0.00 0.00 53.44 53.97 1gks n ALA 35 Cb 0.88 -0.65 0.18 0.00 0.00 0.00 0.00 19.45 19.86 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 -5.14 3.21 -4.18 0.00 8.00 -1.26 -4.97 116.55 112.21 1gks n ASP 36 Ca 0.20 -3.73 -0.12 0.00 0.71 0.00 0.00 54.79 51.85 1gks n ASP 36 Cb 0.65 -0.72 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 1gks n ASP 36 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1gks s ARG 37 N -3.31 0.88 -0.34 -1.24 0.52 0.24 -5.09 118.95 110.61 1gks s ARG 37 Ca 0.50 -1.33 -0.33 0.00 -0.52 0.00 0.00 55.73 54.05 1gks s ARG 37 Cb 0.44 -0.32 -0.10 0.00 0.52 0.00 0.00 34.95 35.49 1gks s ARG 37 CO 0.04 0.01 2.23 -2.30 0.02 0.00 0.00 175.30 175.30 1gks n PRO 38 N 0.01 1.25 0.10 3.54 -0.02 -1.26 -4.83 135.00 133.80 1gks n PRO 38 Ca -0.12 0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.71 1gks n PRO 38 Cb 0.60 -2.68 0.43 0.00 -0.02 0.00 0.00 33.50 31.84 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 13.45 0.27 -1.40 2.55 0.02 -1.94 -3.43 113.55 123.07 1gks h SER 39 Ca -0.30 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.09 1gks h SER 39 Cb 1.30 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1gks h SER 39 CO 1.02 0.32 1.59 -1.20 -1.14 0.00 0.00 176.83 177.42 1gks n SER 40 N -4.37 2.24 -0.34 3.07 7.64 -1.26 -4.85 113.62 115.74 1gks n SER 40 Ca 0.00 -0.11 0.10 0.00 1.01 0.00 0.00 58.87 59.87 1gks n SER 40 Cb 0.18 -1.44 0.29 0.00 -1.01 0.00 0.00 64.21 62.23 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 7.52 0.84 -0.16 0.44 2.07 -1.99 0.11 116.25 125.08 1gks h VAL 41 Ca -0.26 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1gks h VAL 41 Cb 1.28 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1gks h VAL 41 CO 1.12 0.16 0.20 -0.78 0.02 0.00 0.00 177.57 178.29 1gks h ASP 42 N 0.87 0.00 0.00 0.57 3.58 -1.96 0.13 116.42 119.61 1gks h ASP 42 Ca 0.52 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.85 1gks h ASP 42 Cb 0.67 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 1gks h ASP 42 CO -0.29 0.00 -0.90 -0.62 -2.88 0.00 0.00 179.24 174.55 1gks n GLU 43 N -3.67 0.51 -0.33 0.28 1.02 0.26 -4.37 120.64 114.33 1gks n GLU 43 Ca 0.01 0.55 0.17 0.00 -0.02 0.00 0.00 57.16 57.87 1gks n GLU 43 Cb 0.31 -1.72 0.38 0.00 -0.02 0.00 0.00 31.44 30.39 1gks n GLU 43 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1gks h LEU 44 N -1.00 0.56 -1.50 -4.62 3.38 -0.74 0.85 115.31 112.23 1gks h LEU 44 Ca -0.18 0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1gks h LEU 44 Cb 0.91 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1gks h LEU 44 CO -0.11 0.04 0.38 1.62 0.09 0.00 0.00 178.44 180.46 1gks h VAL 45 N 0.50 1.06 -0.12 1.22 3.04 -0.96 0.55 116.25 121.54 1gks h VAL 45 Ca 0.64 -0.22 -0.01 0.00 -1.01 0.00 0.00 66.70 66.09 1gks h VAL 45 Cb 1.25 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1gks h VAL 45 CO -0.51 0.12 0.03 -0.33 -1.01 0.00 0.00 177.57 175.87 1gks h GLU 46 N 0.65 0.18 -0.88 4.17 4.39 -1.03 0.23 114.58 122.30 1gks h GLU 46 Ca 0.23 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.99 1gks h GLU 46 Cb 0.11 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.66 1gks h GLU 46 CO -0.06 0.35 0.52 0.77 -1.16 0.00 0.00 179.01 179.43 1gks h SER 47 N -0.01 0.75 -0.26 1.42 0.02 -1.30 0.04 113.55 114.21 1gks h SER 47 Ca 0.04 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1gks h SER 47 Cb 0.24 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1gks h SER 47 CO 0.00 0.42 -0.08 0.74 -1.14 0.00 0.00 176.83 176.77 1gks h THR 48 N 0.86 1.29 0.07 -2.27 2.02 -0.44 0.28 112.91 114.71 1gks h THR 48 Ca 0.43 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 66.51 1gks h THR 48 Cb 0.40 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1gks h THR 48 CO -0.25 0.35 -0.11 -0.07 0.37 0.00 0.00 175.52 175.80 1gks h LEU 49 N 0.26 -0.30 -0.42 2.58 3.38 0.15 -2.78 115.31 118.17 1gks h LEU 49 Ca 0.06 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 1gks h LEU 49 Cb 0.56 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1gks h LEU 49 CO 0.03 -0.17 -0.79 0.00 0.09 0.00 0.00 178.44 177.60 1gks h ALA 50 N 0.68 0.66 0.00 1.53 0.00 -1.01 0.58 119.26 121.69 1gks h ALA 50 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1gks h ALA 50 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1gks h ALA 50 CO -0.06 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1gks n GLY 51 N 0.69 2.12 3.34 0.00 0.00 0.97 -3.85 105.19 108.46 1gks n GLY 51 Ca -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.61 0.54 6.67 1.61 2.20 0.04 -4.72 119.74 123.47 1gks s LYS 52 Ca 0.00 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 1gks s LYS 52 Cb 0.00 0.60 0.00 0.00 -1.51 0.00 0.00 37.83 36.92 1gks s LYS 52 CO 0.00 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1gks n GLY 53 N 5.43 3.14 0.18 5.54 0.00 -1.26 -0.50 105.19 117.72 1gks n GLY 53 Ca -0.06 0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.92 0.94 -2.12 4.61 0.00 -1.98 -3.44 119.26 116.34 1gks h ALA 54 Ca 0.00 -0.37 -0.56 0.00 0.00 0.00 0.00 54.91 53.98 1gks h ALA 54 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1gks h ALA 54 CO 0.00 0.51 1.14 1.41 0.00 0.00 0.00 179.25 182.31 1gks s MET 55 N -3.51 3.90 0.96 0.00 0.00 0.35 -5.00 119.30 116.00 1gks s MET 55 Ca 0.01 1.89 -0.12 0.00 0.00 0.00 0.00 55.69 57.47 1gks s MET 55 Cb 0.11 -4.04 0.17 0.00 0.00 0.00 0.00 34.83 31.06 1gks s MET 55 CO 0.70 -1.18 1.09 -2.14 0.00 0.00 0.00 175.02 173.49 1gks s PRO 56 N 4.54 0.71 0.20 4.11 0.02 -1.26 -0.78 135.00 142.54 1gks s PRO 56 Ca 0.74 0.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.28 1gks s PRO 56 Cb -0.29 -1.74 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1gks s PRO 56 CO 0.30 -2.62 1.40 0.00 -0.33 0.00 0.00 177.00 175.75 1gks s ALA 57 N -2.84 3.60 -0.90 -1.55 0.00 -1.25 -4.09 121.76 114.73 1gks s ALA 57 Ca 0.65 1.22 0.20 0.00 0.00 0.00 0.00 51.96 54.03 1gks s ALA 57 Cb -0.20 -3.53 -0.22 0.00 0.00 0.00 0.00 23.12 19.17 1gks s ALA 57 CO 0.58 -0.65 0.83 0.66 0.00 0.00 0.00 175.76 177.18 1gks n TYR 58 N 2.84 0.00 -1.41 0.00 4.02 0.13 -4.90 117.16 117.83 1gks n TYR 58 Ca 0.08 0.00 -0.52 0.00 -0.01 0.00 0.00 57.90 57.45 1gks n TYR 58 Cb 0.41 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 39.63 1gks n TYR 58 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1gks n ASP 59 N -1.50 1.92 0.00 7.72 2.03 -0.77 -0.31 116.55 125.63 1gks n ASP 59 Ca 0.03 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1gks n ASP 59 Cb 0.32 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 6.68 2.73 0.14 0.27 0.00 -1.26 -4.87 105.19 108.89 1gks n GLY 60 Ca 0.43 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 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 0.43 -4.30 1.61 -0.00 -1.01 -3.44 114.38 107.67 1gks h ARG 61 Ca 0.00 -0.46 -0.43 0.00 -0.50 0.00 0.00 59.98 58.59 1gks h ARG 61 Cb 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 29.97 29.77 1gks h ARG 61 CO 0.00 1.12 -0.78 0.00 0.00 0.00 0.00 179.97 180.30 1gks s ALA 62 N -3.21 0.82 0.45 0.04 0.00 -0.84 -4.76 121.76 114.26 1gks s ALA 62 Ca -0.13 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.43 1gks s ALA 62 Cb 0.04 -0.40 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 1gks s ALA 62 CO 0.83 0.07 0.97 0.34 0.00 0.00 0.00 175.76 177.96 1gks s ASP 63 N 0.59 6.79 0.19 0.00 2.15 -1.26 -4.46 116.67 120.67 1gks s ASP 63 Ca -0.09 1.70 0.01 0.00 0.43 0.00 0.00 52.55 54.60 1gks s ASP 63 Cb -0.12 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.42 1gks s ASP 63 CO 0.01 -0.47 0.95 -1.14 -0.17 0.00 0.00 175.17 174.35 1gks n ARG 64 N -0.87 -0.05 -0.12 4.34 0.63 -1.26 0.37 116.66 119.71 1gks n ARG 64 Ca 0.07 0.91 -0.10 0.00 -0.92 0.00 0.00 57.85 57.82 1gks n ARG 64 Cb 0.54 -1.45 -0.02 0.00 0.45 0.00 0.00 32.46 31.98 1gks n ARG 64 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1gks h GLU 65 N 0.00 0.58 0.55 -0.14 4.11 -1.99 0.14 114.58 117.84 1gks h GLU 65 Ca 0.37 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.63 1gks h GLU 65 Cb 0.75 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1gks h GLU 65 CO -0.57 0.64 -0.32 -0.44 0.07 0.00 0.00 179.01 178.38 1gks h ASP 66 N 0.43 -0.79 -0.27 3.06 3.32 -0.44 -1.35 116.42 120.38 1gks h ASP 66 Ca 0.11 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.25 1gks h ASP 66 Cb 0.32 0.22 -0.08 0.00 0.22 0.00 0.00 39.33 40.02 1gks h ASP 66 CO 0.00 -0.51 -0.51 -0.07 -1.72 0.00 0.00 179.24 176.43 1gks h LEU 67 N -0.82 -1.66 -0.55 1.55 3.38 -0.93 0.43 115.31 116.71 1gks h LEU 67 Ca -0.07 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.20 1gks h LEU 67 Cb 0.66 0.67 -0.10 0.00 0.09 0.00 0.00 40.66 41.98 1gks h LEU 67 CO 0.08 -0.43 -0.47 0.58 0.09 0.00 0.00 178.44 178.30 1gks h VAL 68 N -0.47 0.07 -0.85 1.22 2.07 -0.60 0.20 116.25 117.89 1gks h VAL 68 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1gks h VAL 68 Cb 0.63 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1gks h VAL 68 CO -0.51 0.00 0.55 0.11 0.02 0.00 0.00 177.57 177.74 1gks h LYS 69 N -0.26 1.03 -0.44 1.57 1.79 -0.48 0.15 116.57 119.94 1gks h LYS 69 Ca 0.15 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1gks h LYS 69 Cb 0.57 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 1gks h LYS 69 CO -0.67 0.68 0.15 0.00 -1.08 0.00 0.00 179.45 178.53 1gks h ALA 70 N 1.35 0.57 -0.16 3.86 0.00 0.46 -0.33 119.26 125.02 1gks h ALA 70 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1gks h ALA 70 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1gks h ALA 70 CO -0.12 0.21 0.06 0.82 0.00 0.00 0.00 179.25 180.22 1gks h ILE 71 N 0.57 1.16 -0.24 0.00 2.04 -0.23 0.37 117.51 121.18 1gks h ILE 71 Ca 0.14 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1gks h ILE 71 Cb 0.24 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1gks h ILE 71 CO -0.01 0.15 -0.15 -0.33 0.00 0.00 0.00 178.15 177.82 1gks h GLU 72 N 0.10 -0.13 -0.06 2.37 4.39 -0.49 0.12 114.58 120.87 1gks h GLU 72 Ca 0.05 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.80 1gks h GLU 72 Cb 0.18 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1gks h GLU 72 CO -0.00 -0.09 -0.19 -0.92 -1.16 0.00 0.00 179.01 176.65 1gks h TYR 73 N -0.13 -0.49 -0.06 4.33 3.20 -0.79 0.14 116.97 123.17 1gks h TYR 73 Ca 0.13 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1gks h TYR 73 Cb 0.33 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 1gks h TYR 73 CO -0.32 -0.27 -0.39 1.98 -1.64 0.00 0.00 178.16 177.53 1gks h MET 74 N -0.27 -0.49 -0.87 1.82 4.05 -0.22 -1.14 114.93 117.80 1gks h MET 74 Ca 0.08 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.63 1gks h MET 74 Cb 0.38 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.23 1gks h MET 74 CO -0.22 -0.32 0.56 -0.07 0.23 0.00 0.00 176.91 177.09 1gks h LEU 75 N -0.51 0.74 0.00 3.39 3.38 -0.45 -0.91 115.31 120.96 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 0.61 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1gks h LEU 75 CO -0.34 0.43 0.00 -1.20 0.09 0.00 0.00 178.44 177.42 1gks n SER 76 N -4.53 0.00 -0.79 -0.43 7.64 0.47 -2.13 113.62 113.85 1gks n SER 76 Ca 0.15 -0.10 0.07 0.00 1.01 0.00 0.00 58.87 60.01 1gks n SER 76 Cb 0.34 -0.17 0.21 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.17 1.69 1.68 0.44 -2.24 -0.35 -5.06 114.28 109.27 1gks n THR 77 Ca 0.07 -1.46 0.15 0.00 -2.27 0.00 0.00 64.05 60.54 1gks n THR 77 Cb 0.07 0.10 0.68 0.00 -2.10 0.00 0.00 70.33 69.08 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68