#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 1.64 0.96 6.12 0.00 -1.93 -1.29 103.07 108.57 1gks h GLY 2 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1gks h GLY 2 CO 0.00 0.13 0.00 0.83 0.00 0.00 0.00 176.54 177.50 1gks h GLU 3 N 0.95 0.00 -0.34 4.80 3.07 -1.90 0.48 114.58 121.64 1gks h GLU 3 Ca 0.51 -0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.44 1gks h GLU 3 Cb 0.56 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.38 1gks h GLU 3 CO -0.28 0.04 -0.23 0.77 -1.40 0.00 0.00 179.01 177.91 1gks h SER 4 N -0.03 -0.78 0.56 1.42 0.02 -1.68 0.15 113.55 113.21 1gks h SER 4 Ca 0.00 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1gks h SER 4 Cb 0.04 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1gks h SER 4 CO -0.00 -0.26 -0.36 0.40 -1.14 0.00 0.00 176.83 175.47 1gks h ILE 5 N -0.19 0.27 -0.15 3.27 2.04 -1.14 0.15 117.51 121.76 1gks h ILE 5 Ca 0.17 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.07 1gks h ILE 5 Cb 0.46 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1gks h ILE 5 CO -0.45 0.00 -0.07 0.22 0.00 0.00 0.00 178.15 177.85 1gks h TYR 6 N -0.88 -0.16 -0.08 1.37 5.03 -0.61 0.48 116.97 122.11 1gks h TYR 6 Ca -0.07 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.20 1gks h TYR 6 Cb 0.72 0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1gks h TYR 6 CO -0.11 -0.11 -0.18 0.82 -1.32 0.00 0.00 178.16 177.25 1gks h ILE 7 N -0.05 1.41 -0.04 1.81 2.04 -0.68 -2.11 117.51 119.88 1gks h ILE 7 Ca 0.08 -1.50 -0.16 0.00 1.00 0.00 0.00 64.86 64.28 1gks h ILE 7 Cb 0.18 2.18 -0.18 0.00 -0.74 0.00 0.00 36.82 38.26 1gks h ILE 7 CO -0.19 0.43 -0.39 -0.46 0.00 0.00 0.00 178.15 177.53 1gks n ASN 8 N -4.56 -0.91 -1.83 1.72 2.04 0.44 -4.61 115.26 107.55 1gks n ASN 8 Ca -0.08 -2.12 0.02 0.00 -0.44 0.00 0.00 54.58 51.96 1gks n ASN 8 Cb 0.41 0.41 0.04 0.00 -2.53 0.00 0.00 39.78 38.11 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 -0.88 1.69 3.08 4.83 0.00 0.14 -4.86 105.19 109.20 1gks n GLY 9 Ca -0.18 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.46 0.40 -0.24 2.61 -4.23 -1.11 -4.72 115.64 106.88 1gks s THR 10 Ca 0.33 -1.49 -0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1gks s THR 10 Cb 0.37 -1.10 0.07 0.00 1.34 0.00 0.00 72.50 73.18 1gks s THR 10 CO -0.12 -0.72 -0.00 0.00 -0.54 0.00 0.00 174.62 173.24 1gks s ALA 11 N -2.76 1.65 1.05 3.99 0.00 -1.26 -2.20 121.76 122.23 1gks s ALA 11 Ca -0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 1gks s ALA 11 Cb -0.01 -1.40 0.22 0.00 0.00 0.00 0.00 23.12 21.93 1gks s ALA 11 CO -0.04 -1.27 1.07 -1.25 0.00 0.00 0.00 175.76 174.27 1gks s PRO 12 N 1.55 -0.03 0.25 0.00 0.04 -1.26 -4.85 135.00 130.69 1gks s PRO 12 Ca -0.02 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 1gks s PRO 12 Cb -0.18 -1.64 -0.10 0.00 0.04 0.00 0.00 34.50 32.62 1gks s PRO 12 CO -0.09 -3.18 1.35 0.95 0.04 0.00 0.00 177.00 176.07 1gks s THR 13 N -2.60 2.90 0.27 1.26 -4.23 -0.93 -4.88 115.64 107.42 1gks s THR 13 Ca 0.67 0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 61.96 1gks s THR 13 Cb -0.23 -3.50 0.26 0.00 1.34 0.00 0.00 72.50 70.37 1gks s THR 13 CO 0.61 0.14 1.71 0.00 -0.54 0.00 0.00 174.62 176.55 1gks h SER 15 N 0.43 0.45 -1.03 0.00 4.64 -1.64 -0.21 113.55 116.19 1gks h SER 15 Ca 0.49 0.16 0.30 0.00 -0.47 0.00 0.00 61.79 62.27 1gks h SER 15 Cb 0.84 0.12 -0.13 0.00 -0.31 0.00 0.00 62.40 62.91 1gks h SER 15 CO -0.47 -0.01 0.62 0.28 -0.87 0.00 0.00 176.83 176.37 1gks h SER 16 N 0.42 0.53 0.00 4.97 0.02 -1.08 0.32 113.55 118.74 1gks h SER 16 Ca 0.62 0.16 -0.31 0.00 -0.84 0.00 0.00 61.79 61.42 1gks h SER 16 Cb 1.25 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.83 1gks h SER 16 CO -0.54 -0.04 -1.98 0.00 -1.14 0.00 0.00 176.83 173.12 1gks h HIS 18 N -0.85 0.00 -0.10 0.00 3.86 -1.02 0.36 115.15 117.40 1gks h HIS 18 Ca -0.46 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.70 1gks h HIS 18 Cb 1.37 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.84 1gks h HIS 18 CO -0.14 0.45 -0.13 0.22 0.86 0.00 0.00 177.93 179.18 1gks h ASP 19 N 0.00 0.29 -0.40 2.45 3.58 -1.11 -3.23 116.42 118.00 1gks h ASP 19 Ca -0.00 -0.51 -0.11 0.00 0.42 0.00 0.00 57.03 56.83 1gks h ASP 19 Cb 0.95 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1gks h ASP 19 CO 0.06 0.75 -0.17 -0.09 -2.88 0.00 0.00 179.24 176.90 1gks h ARG 20 N -0.15 0.82 -0.35 0.28 9.65 -1.64 -3.48 114.38 119.51 1gks h ARG 20 Ca 0.01 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1gks h ARG 20 Cb 0.68 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1gks h ARG 20 CO 0.03 0.98 0.00 0.41 2.80 0.00 0.00 179.97 184.19 1gks n GLY 21 N -0.09 0.89 3.76 2.80 0.00 0.11 -5.04 105.19 107.62 1gks n GLY 21 Ca -0.01 -0.58 -0.38 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 -2.35 2.63 -1.11 1.61 0.11 -0.54 -2.52 120.40 118.23 1gks s VAL 22 Ca 0.00 0.49 -0.04 0.00 -2.93 0.00 0.00 61.98 59.50 1gks s VAL 22 Cb 0.00 -3.26 0.03 0.00 -1.53 0.00 0.00 36.38 31.62 1gks s VAL 22 CO 0.00 0.01 0.20 0.00 -3.33 0.00 0.00 175.10 171.99 1gks n ALA 23 N -0.55 -0.90 -1.76 1.54 0.00 -1.26 -0.59 120.51 116.99 1gks n ALA 23 Ca 0.08 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 1gks n ALA 23 Cb 0.46 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 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 -0.96 0.70 3.68 0.00 0.00 -1.05 -4.91 105.19 102.66 1gks n GLY 24 Ca -0.09 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.03 1.74 -1.68 4.61 0.00 0.24 -4.85 120.51 120.54 1gks n ALA 25 Ca -0.14 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1gks n ALA 25 Cb 0.51 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 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 2.12 3.79 0.00 0.00 0.04 -1.26 -4.54 135.00 135.15 1gks s PRO 26 Ca 0.82 2.36 0.00 0.00 0.04 0.00 0.00 61.00 64.22 1gks s PRO 26 Cb -0.59 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 29.73 1gks s PRO 26 CO 0.39 -1.35 0.00 0.39 0.04 0.00 0.00 177.00 176.48 1gks n GLU 27 N 7.94 2.75 -4.33 4.56 4.71 -1.26 -4.90 120.64 130.11 1gks n GLU 27 Ca 0.23 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 57.19 1gks n GLU 27 Cb 0.43 0.00 -0.13 0.00 -1.01 0.00 0.00 31.44 30.72 1gks n GLU 27 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1gks s LEU 28 N 0.00 2.17 -1.44 -4.62 1.02 -1.18 -4.68 118.68 109.96 1gks s LEU 28 Ca 0.00 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 53.67 1gks s LEU 28 Cb 0.00 -0.56 0.03 0.00 0.02 0.00 0.00 46.19 45.67 1gks s LEU 28 CO 0.00 0.02 0.53 -0.46 0.02 0.00 0.00 176.35 176.46 1gks n ASN 29 N 1.91 -1.07 -2.74 2.29 0.23 0.02 -4.87 115.26 111.03 1gks n ASN 29 Ca -0.18 -0.97 -0.10 0.00 -0.53 0.00 0.00 54.58 52.80 1gks n ASN 29 Cb 0.55 -3.20 0.05 0.00 -2.08 0.00 0.00 39.78 35.09 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gks n ALA 30 N -4.40 2.54 -0.34 -2.53 0.00 -0.59 -5.00 120.51 110.19 1gks n ALA 30 Ca -0.24 -2.67 0.27 0.00 0.00 0.00 0.00 53.44 50.80 1gks n ALA 30 Cb 0.65 -0.96 0.58 0.00 0.00 0.00 0.00 19.45 19.72 1gks n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gks h PRO 31 N 2.78 0.26 -1.00 0.00 0.13 -1.92 0.61 132.00 132.85 1gks h PRO 31 Ca -0.11 -0.02 0.21 0.00 -0.87 0.00 0.00 66.00 65.21 1gks h PRO 31 Cb 1.18 -0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.13 1gks h PRO 31 CO 0.36 0.17 0.60 0.93 -0.23 0.00 0.00 178.00 179.83 1gks h GLU 32 N 0.27 0.68 0.00 0.86 3.07 -1.94 0.89 114.58 118.40 1gks h GLU 32 Ca 0.62 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 1gks h GLU 32 Cb 1.81 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.57 1gks h GLU 32 CO -0.25 0.45 0.00 -0.25 -1.40 0.00 0.00 179.01 177.56 1gks n ASP 33 N -4.81 0.00 -0.08 1.42 9.92 0.20 -3.64 116.55 119.56 1gks n ASP 33 Ca 0.24 -0.11 -0.14 0.00 -0.53 0.00 0.00 54.79 54.25 1gks n ASP 33 Cb 0.62 -0.28 -0.07 0.00 -0.64 0.00 0.00 41.12 40.75 1gks n ASP 33 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1gks n TRP 34 N -1.28 0.00 -3.93 1.24 7.02 0.08 -4.74 117.44 115.83 1gks n TRP 34 Ca 0.13 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.34 1gks n TRP 34 Cb 0.22 -0.60 0.00 0.00 -2.42 0.00 0.00 31.31 28.51 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 -3.35 -1.72 -3.16 6.99 0.00 0.08 -2.19 120.51 117.16 1gks n ALA 35 Ca -0.30 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 1gks n ALA 35 Cb 0.76 -2.63 0.07 0.00 0.00 0.00 0.00 19.45 17.65 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 -2.91 -3.27 -4.59 0.00 8.00 -1.26 -5.01 116.55 107.50 1gks n ASP 36 Ca -0.16 -0.56 -0.33 0.00 0.71 0.00 0.00 54.79 54.45 1gks n ASP 36 Cb 0.61 -4.49 0.13 0.00 -0.02 0.00 0.00 41.12 37.35 1gks n ASP 36 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gks n ARG 37 N -3.46 -0.03 -1.51 -1.24 1.74 -0.93 -4.76 116.66 106.46 1gks n ARG 37 Ca -0.19 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.54 1gks n ARG 37 Cb 0.63 -2.21 -0.08 0.00 -1.02 0.00 0.00 32.46 29.78 1gks n ARG 37 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1gks n PRO 38 N -2.77 0.68 0.29 5.56 -0.02 -1.26 -4.78 135.00 132.71 1gks n PRO 38 Ca 0.11 0.05 0.18 0.00 -2.02 0.00 0.00 63.50 61.82 1gks n PRO 38 Cb 0.51 -2.59 0.98 0.00 -0.02 0.00 0.00 33.50 32.38 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 15.67 0.00 -0.65 2.55 0.02 -2.03 -3.41 113.55 125.70 1gks h SER 39 Ca -0.18 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.53 1gks h SER 39 Cb 1.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1gks h SER 39 CO 1.22 0.00 0.98 -1.20 -1.14 0.00 0.00 176.83 176.69 1gks n SER 40 N -3.59 1.34 -0.32 3.07 7.64 -1.26 -4.80 113.62 115.69 1gks n SER 40 Ca -0.02 -0.89 0.22 0.00 1.01 0.00 0.00 58.87 59.19 1gks n SER 40 Cb 0.14 -1.40 0.44 0.00 -1.01 0.00 0.00 64.21 62.38 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 7.63 0.22 -1.15 0.44 2.07 -1.99 0.55 116.25 124.02 1gks h VAL 41 Ca -0.07 -0.07 0.40 0.00 0.82 0.00 0.00 66.70 67.77 1gks h VAL 41 Cb 1.13 -0.01 -0.15 0.00 -1.52 0.00 0.00 31.29 30.75 1gks h VAL 41 CO 1.18 0.04 0.70 0.44 0.02 0.00 0.00 177.57 179.94 1gks h ASP 42 N 0.21 0.34 0.00 0.57 5.19 -1.94 0.13 116.42 120.92 1gks h ASP 42 Ca 0.71 0.18 -0.25 0.00 -0.62 0.00 0.00 57.03 57.05 1gks h ASP 42 Cb 1.64 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 41.27 1gks h ASP 42 CO -0.68 -0.22 -1.38 -0.62 -3.12 0.00 0.00 179.24 173.22 1gks n GLU 43 N -4.92 0.56 -0.34 3.56 4.71 0.17 -4.14 120.64 120.23 1gks n GLU 43 Ca 0.36 0.54 0.12 0.00 -0.01 0.00 0.00 57.16 58.17 1gks n GLU 43 Cb 1.26 -1.71 0.31 0.00 -1.01 0.00 0.00 31.44 30.29 1gks n GLU 43 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1gks h LEU 44 N -1.00 0.73 -1.39 -4.62 3.38 -1.22 0.21 115.31 111.40 1gks h LEU 44 Ca -0.37 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1gks h LEU 44 Cb 1.30 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1gks h LEU 44 CO -0.23 0.25 0.14 1.62 0.09 0.00 0.00 178.44 180.32 1gks h VAL 45 N 0.72 1.16 -0.33 1.22 3.04 -0.97 0.13 116.25 121.21 1gks h VAL 45 Ca 0.57 -0.50 -0.07 0.00 -1.01 0.00 0.00 66.70 65.69 1gks h VAL 45 Cb 0.89 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1gks h VAL 45 CO -0.39 0.19 -0.06 -0.33 -1.01 0.00 0.00 177.57 175.97 1gks h GLU 46 N 0.55 0.63 -0.64 4.17 5.08 -0.76 0.24 114.58 123.85 1gks h GLU 46 Ca 0.13 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1gks h GLU 46 Cb 0.13 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 1gks h GLU 46 CO -0.01 0.79 0.28 0.77 -1.00 0.00 0.00 179.01 179.84 1gks h SER 47 N 0.42 0.34 -0.28 1.42 0.02 -0.69 0.50 113.55 115.28 1gks h SER 47 Ca 0.09 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1gks h SER 47 Cb 0.54 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1gks h SER 47 CO 0.03 0.20 -0.04 0.74 -1.14 0.00 0.00 176.83 176.61 1gks h THR 48 N 0.50 1.27 0.04 -2.27 2.02 -0.57 0.25 112.91 114.15 1gks h THR 48 Ca 0.32 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1gks h THR 48 Cb 0.36 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1gks h THR 48 CO -0.28 0.33 -0.02 -0.07 0.37 0.00 0.00 175.52 175.85 1gks h LEU 49 N 0.28 -0.05 -0.26 2.58 3.38 -0.08 -1.31 115.31 119.85 1gks h LEU 49 Ca 0.07 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1gks h LEU 49 Cb 0.50 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1gks h LEU 49 CO 0.02 -0.02 -0.74 0.00 0.09 0.00 0.00 178.44 177.80 1gks h ALA 50 N 0.87 0.62 0.00 1.53 0.00 -0.92 -0.50 119.26 120.86 1gks h ALA 50 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1gks h ALA 50 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gks h ALA 50 CO 0.01 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.59 1gks n GLY 51 N 0.97 1.68 3.51 0.00 0.00 0.88 -4.05 105.19 108.18 1gks n GLY 51 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.85 0.53 7.61 1.61 2.20 0.03 -4.76 119.74 124.12 1gks s LYS 52 Ca 0.00 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1gks s LYS 52 Cb 0.00 0.75 0.00 0.00 -1.51 0.00 0.00 37.83 37.07 1gks s LYS 52 CO 0.00 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 1gks n GLY 53 N 5.39 3.78 0.16 5.54 0.00 -1.26 -0.50 105.19 118.29 1gks n GLY 53 Ca -0.09 0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.98 0.77 -2.28 4.61 0.00 -1.98 -3.45 119.26 115.95 1gks h ALA 54 Ca 0.00 -0.42 -0.54 0.00 0.00 0.00 0.00 54.91 53.95 1gks h ALA 54 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gks h ALA 54 CO 0.00 0.58 1.22 1.41 0.00 0.00 0.00 179.25 182.46 1gks s MET 55 N -3.17 4.02 0.74 0.00 0.00 0.34 -4.97 119.30 116.28 1gks s MET 55 Ca 0.03 2.41 -0.11 0.00 0.00 0.00 0.00 55.69 58.02 1gks s MET 55 Cb 0.09 -4.14 0.04 0.00 0.00 0.00 0.00 34.83 30.82 1gks s MET 55 CO 0.72 -1.07 1.08 -1.25 0.00 0.00 0.00 175.02 174.50 1gks s PRO 56 N 4.58 2.51 -0.15 4.11 0.04 -1.26 -0.78 135.00 144.04 1gks s PRO 56 Ca 0.85 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 1gks s PRO 56 Cb -0.39 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1gks s PRO 56 CO 0.38 -1.42 1.68 0.00 0.04 0.00 0.00 177.00 177.67 1gks s ALA 57 N -2.98 3.38 -1.29 8.56 0.00 -1.26 -4.12 121.76 124.05 1gks s ALA 57 Ca 0.60 0.69 0.29 0.00 0.00 0.00 0.00 51.96 53.54 1gks s ALA 57 Cb -0.16 -3.82 1.22 0.00 0.00 0.00 0.00 23.12 20.36 1gks s ALA 57 CO 0.56 -1.78 1.88 0.66 0.00 0.00 0.00 175.76 177.08 1gks n TYR 58 N 8.12 0.00 -1.54 0.00 4.02 -0.33 -4.78 117.16 122.65 1gks n TYR 58 Ca 0.19 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.93 1gks n TYR 58 Cb 0.44 -0.33 -0.10 0.00 -0.02 0.00 0.00 39.34 39.33 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 -1.30 1.08 0.00 7.72 2.03 -0.45 -0.28 116.55 125.35 1gks n ASP 59 Ca 0.11 -1.42 0.00 0.00 0.52 0.00 0.00 54.79 53.99 1gks n ASP 59 Cb 0.30 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 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 6.46 4.06 0.16 0.27 0.00 -1.26 -4.93 105.19 109.95 1gks n GLY 60 Ca 0.49 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 0.38 -3.25 1.61 3.08 -0.95 -3.44 114.38 111.82 1gks h ARG 61 Ca 0.00 -0.39 -0.24 0.00 0.07 0.00 0.00 59.98 59.42 1gks h ARG 61 Cb 0.00 0.11 -0.31 0.00 0.08 0.00 0.00 29.97 29.85 1gks h ARG 61 CO 0.00 1.06 -0.59 0.00 -1.07 0.00 0.00 179.97 179.38 1gks s ALA 62 N -3.31 -0.29 0.44 0.04 0.00 -0.37 -4.52 121.76 113.75 1gks s ALA 62 Ca -0.05 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 1gks s ALA 62 Cb 0.09 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 1gks s ALA 62 CO 0.86 -0.15 0.98 0.34 0.00 0.00 0.00 175.76 177.78 1gks s ASP 63 N 1.10 6.80 0.18 0.00 2.15 -1.26 -4.38 116.67 121.26 1gks s ASP 63 Ca -0.09 1.77 -0.00 0.00 0.43 0.00 0.00 52.55 54.66 1gks s ASP 63 Cb -0.11 -2.55 0.41 0.00 -0.30 0.00 0.00 42.92 40.38 1gks s ASP 63 CO -0.06 -0.46 0.94 -1.14 -0.17 0.00 0.00 175.17 174.29 1gks n ARG 64 N -0.66 -0.05 0.00 4.34 0.63 -1.26 0.30 116.66 119.96 1gks n ARG 64 Ca 0.07 0.91 -0.11 0.00 -0.92 0.00 0.00 57.85 57.80 1gks n ARG 64 Cb 0.53 -1.43 -0.06 0.00 0.45 0.00 0.00 32.46 31.96 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 0.11 0.35 -0.14 4.39 -1.99 0.12 114.58 117.42 1gks h GLU 65 Ca 0.34 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 1gks h GLU 65 Cb 0.67 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1gks h GLU 65 CO -0.58 0.15 -0.34 -0.44 -1.16 0.00 0.00 179.01 176.65 1gks h ASP 66 N 0.03 -0.91 -0.11 1.42 3.32 -0.52 -2.59 116.42 117.06 1gks h ASP 66 Ca 0.03 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1gks h ASP 66 Cb 0.08 0.31 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1gks h ASP 66 CO -0.00 -0.48 -0.51 -0.07 -1.72 0.00 0.00 179.24 176.46 1gks h LEU 67 N -0.71 -1.61 -0.81 1.55 3.38 -0.88 -2.41 115.31 113.82 1gks h LEU 67 Ca -0.02 0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.29 1gks h LEU 67 Cb 0.64 0.63 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 1gks h LEU 67 CO -0.05 -0.46 -0.27 0.58 0.09 0.00 0.00 178.44 178.33 1gks h VAL 68 N -0.55 0.14 -0.44 1.22 2.07 -0.70 0.37 116.25 118.36 1gks h VAL 68 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1gks h VAL 68 Cb 0.64 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1gks h VAL 68 CO -0.40 0.00 0.29 0.11 0.02 0.00 0.00 177.57 177.59 1gks h LYS 69 N -0.04 0.49 0.03 1.57 1.57 -1.03 0.46 116.57 119.61 1gks h LYS 69 Ca 0.35 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1gks h LYS 69 Cb 0.59 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1gks h LYS 69 CO -0.84 0.33 -0.01 0.00 -0.57 0.00 0.00 179.45 178.35 1gks h ALA 70 N 1.74 -0.04 -0.58 3.86 0.00 -0.06 -3.25 119.26 120.94 1gks h ALA 70 Ca 0.17 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1gks h ALA 70 Cb 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1gks h ALA 70 CO -0.04 -0.14 0.23 0.82 0.00 0.00 0.00 179.25 180.12 1gks h ILE 71 N -0.80 0.82 -0.87 0.00 2.04 -0.26 0.14 117.51 118.57 1gks h ILE 71 Ca -0.00 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1gks h ILE 71 Cb 0.71 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1gks h ILE 71 CO 0.01 0.08 0.57 1.05 0.00 0.00 0.00 178.15 179.86 1gks h GLU 72 N 0.43 1.13 0.37 2.37 4.11 -1.05 0.91 114.58 122.83 1gks h GLU 72 Ca 0.28 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.63 1gks h GLU 72 Cb 0.31 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1gks h GLU 72 CO -0.27 0.74 -0.18 -0.92 0.07 0.00 0.00 179.01 178.46 1gks h TYR 73 N 1.16 -0.46 -0.56 2.06 3.20 -1.32 -2.70 116.97 118.35 1gks h TYR 73 Ca 0.33 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.28 1gks h TYR 73 Cb -0.10 0.15 -0.11 0.00 1.54 0.00 0.00 36.73 38.21 1gks h TYR 73 CO -0.01 -0.21 -0.37 1.98 -1.64 0.00 0.00 178.16 177.91 1gks h MET 74 N -0.62 -0.19 -0.21 1.82 4.05 -0.35 0.19 114.93 119.62 1gks h MET 74 Ca -0.05 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.44 1gks h MET 74 Cb 0.45 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1gks h MET 74 CO 0.08 -0.13 0.20 -0.07 0.23 0.00 0.00 176.91 177.23 1gks h LEU 75 N -0.20 0.00 -0.05 3.39 3.38 -0.78 0.57 115.31 121.62 1gks h LEU 75 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1gks h LEU 75 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1gks h LEU 75 CO -0.67 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 176.66 1gks n SER 76 N -3.95 0.05 -2.66 -0.43 7.64 0.66 -3.52 113.62 111.41 1gks n SER 76 Ca 0.02 -1.98 -0.03 0.00 1.01 0.00 0.00 58.87 57.89 1gks n SER 76 Cb 0.34 -0.02 0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1gks n SER 76 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1gks n THR 77 N -0.48 0.00 1.17 0.44 5.66 -0.25 -5.03 114.28 115.80 1gks n THR 77 Ca 0.00 -0.65 0.09 0.00 -3.05 0.00 0.00 64.05 60.45 1gks n THR 77 Cb 0.01 0.80 0.55 0.00 -1.55 0.00 0.00 70.33 70.15 1gks n THR 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02