#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 1.33 0.10 0.44 0.00 -1.98 0.33 103.07 103.29 1gks h GLY 2 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.21 1gks h GLY 2 CO 0.00 -0.21 -0.45 0.83 0.00 0.00 0.00 176.54 176.72 1gks h GLU 3 N 0.39 -0.61 -0.48 4.80 3.07 -1.93 0.42 114.58 120.24 1gks h GLU 3 Ca 0.49 0.04 0.10 0.00 -0.50 0.00 0.00 59.36 59.49 1gks h GLU 3 Cb 0.87 0.14 -0.08 0.00 -0.84 0.00 0.00 28.75 28.84 1gks h GLU 3 CO -0.50 -0.41 -0.03 0.77 -1.40 0.00 0.00 179.01 177.44 1gks h SER 4 N -0.63 -0.27 0.40 1.42 0.02 -1.48 0.11 113.55 113.12 1gks h SER 4 Ca -0.00 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1gks h SER 4 Cb 0.64 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1gks h SER 4 CO -0.25 -0.10 -0.26 0.40 -1.14 0.00 0.00 176.83 175.49 1gks h ILE 5 N 0.08 0.46 -0.18 3.27 2.04 -0.63 0.19 117.51 122.73 1gks h ILE 5 Ca 0.24 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.11 1gks h ILE 5 Cb 0.37 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1gks h ILE 5 CO -0.43 0.00 0.09 0.22 0.00 0.00 0.00 178.15 178.03 1gks h TYR 6 N -0.64 0.17 -0.02 1.37 5.03 -0.51 0.16 116.97 122.54 1gks h TYR 6 Ca -0.04 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.26 1gks h TYR 6 Cb 0.53 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.76 1gks h TYR 6 CO -0.11 0.10 -0.04 0.82 -1.32 0.00 0.00 178.16 177.61 1gks h ILE 7 N 0.19 1.47 0.00 1.81 2.04 -0.64 -3.05 117.51 119.33 1gks h ILE 7 Ca 0.07 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1gks h ILE 7 Cb 0.01 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1gks h ILE 7 CO -0.05 0.38 -0.19 -0.46 0.00 0.00 0.00 178.15 177.83 1gks n ASN 8 N -4.75 0.95 0.09 1.72 0.23 0.33 -4.58 115.26 109.25 1gks n ASN 8 Ca -0.09 -0.03 -0.14 0.00 -0.53 0.00 0.00 54.58 53.80 1gks n ASN 8 Cb 0.32 0.25 -0.10 0.00 -2.08 0.00 0.00 39.78 38.17 1gks n ASN 8 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1gks h GLY 9 N 0.00 0.31 -1.99 4.83 0.00 -0.05 -3.46 103.07 102.71 1gks h GLY 9 Ca 0.00 -0.69 -0.50 0.00 0.00 0.00 0.00 47.33 46.14 1gks h GLY 9 CO 0.00 0.61 0.42 -0.51 0.00 0.00 0.00 176.54 177.05 1gks s THR 10 N -2.88 3.24 -0.16 4.70 -4.23 0.51 -4.99 115.64 111.84 1gks s THR 10 Ca -0.04 0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 61.16 1gks s THR 10 Cb 0.08 -3.27 0.06 0.00 1.34 0.00 0.00 72.50 70.71 1gks s THR 10 CO 0.87 -0.21 0.08 0.00 -0.54 0.00 0.00 174.62 174.81 1gks s ALA 11 N -1.92 0.49 0.68 3.99 0.00 -1.26 -2.47 121.76 121.27 1gks s ALA 11 Ca 0.71 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1gks s ALA 11 Cb -0.22 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1gks s ALA 11 CO 0.30 -1.09 0.96 -2.30 0.00 0.00 0.00 175.76 173.63 1gks n PRO 12 N 5.24 0.64 -1.93 0.00 -0.02 -1.26 -4.95 135.00 132.73 1gks n PRO 12 Ca -0.07 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 1gks n PRO 12 Cb 0.49 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.70 3.06 0.19 3.45 -4.23 -1.03 -4.91 115.64 110.47 1gks s THR 13 Ca 0.75 0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 61.65 1gks s THR 13 Cb -0.37 -3.32 0.11 0.00 1.34 0.00 0.00 72.50 70.26 1gks s THR 13 CO 0.49 -0.00 1.78 0.00 -0.54 0.00 0.00 174.62 176.34 1gks h SER 15 N 0.51 -0.89 -1.18 0.00 4.64 -1.78 -0.10 113.55 114.75 1gks h SER 15 Ca 0.26 0.27 0.39 0.00 -0.47 0.00 0.00 61.79 62.24 1gks h SER 15 Cb 0.22 0.57 -0.14 0.00 -0.31 0.00 0.00 62.40 62.74 1gks h SER 15 CO -0.21 -0.29 0.73 0.28 -0.87 0.00 0.00 176.83 176.48 1gks h SER 16 N -0.01 0.33 0.00 4.97 0.02 -1.81 0.18 113.55 117.23 1gks h SER 16 Ca 0.41 0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 61.41 1gks h SER 16 Cb 0.64 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1gks h SER 16 CO -0.91 -0.17 -1.29 0.00 -1.14 0.00 0.00 176.83 173.32 1gks h HIS 18 N -0.89 0.00 -0.00 0.00 3.86 -0.95 0.43 115.15 117.59 1gks h HIS 18 Ca -0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1gks h HIS 18 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 1gks h HIS 18 CO -0.30 0.04 -0.06 -3.47 0.86 0.00 0.00 177.93 175.00 1gks n ASP 19 N -3.18 0.55 0.00 2.45 2.03 0.62 -3.59 116.55 115.43 1gks n ASP 19 Ca -0.00 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1gks n ASP 19 Cb 0.27 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1gks n ASP 19 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1gks n ARG 20 N -0.75 1.52 -2.49 -0.67 3.00 -0.41 -4.99 116.66 111.86 1gks n ARG 20 Ca 0.18 -0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.96 1gks n ARG 20 Cb 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 32.46 32.59 1gks n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gks n GLY 21 N 0.22 0.36 3.69 5.14 0.00 0.14 -4.97 105.19 109.76 1gks n GLY 21 Ca 0.00 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.56 0.69 -2.61 1.61 0.31 -0.93 -0.78 118.33 113.07 1gks n VAL 22 Ca -0.03 -0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 63.98 1gks n VAL 22 Cb 0.53 -1.61 -0.00 0.00 -0.91 0.00 0.00 33.84 31.85 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 2.41 -0.82 -1.55 3.52 0.00 -1.26 -0.67 120.51 122.13 1gks n ALA 23 Ca 0.12 0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 1gks n ALA 23 Cb 0.32 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.91 0.74 3.73 0.00 0.00 0.04 -4.88 105.19 103.91 1gks n GLY 24 Ca -0.13 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 0.34 1.76 -1.75 4.61 0.00 0.16 -4.88 120.51 120.74 1gks n ALA 25 Ca -0.10 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1gks n ALA 25 Cb 0.39 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 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 -1.90 4.14 0.65 0.00 0.04 -1.26 -4.36 135.00 132.32 1gks s PRO 26 Ca 0.55 2.56 -0.03 0.00 0.04 0.00 0.00 61.00 64.12 1gks s PRO 26 Cb -0.53 -3.50 0.07 0.00 0.04 0.00 0.00 34.50 30.57 1gks s PRO 26 CO 0.62 -0.81 0.92 -1.21 0.04 0.00 0.00 177.00 176.57 1gks s GLU 27 N 2.44 2.18 0.87 4.56 2.02 -1.26 -4.80 118.70 124.71 1gks s GLU 27 Ca 0.79 -0.64 -0.11 0.00 0.02 0.00 0.00 54.97 55.03 1gks s GLU 27 Cb -0.46 -2.32 0.12 0.00 0.10 0.00 0.00 34.13 31.57 1gks s GLU 27 CO 0.35 -1.11 1.11 -0.51 0.02 0.00 0.00 175.26 175.13 1gks s LEU 28 N -5.05 2.73 -1.29 1.80 2.01 -1.24 -3.94 118.68 113.71 1gks s LEU 28 Ca 0.61 1.94 -0.09 0.00 0.01 0.00 0.00 54.13 56.59 1gks s LEU 28 Cb -0.09 -4.41 0.01 0.00 0.01 0.00 0.00 46.19 41.71 1gks s LEU 28 CO 0.42 -2.72 0.18 -0.46 1.01 0.00 0.00 176.35 174.78 1gks n ASN 29 N -3.97 -0.48 -3.08 2.29 6.94 -1.25 -4.89 115.26 110.83 1gks n ASN 29 Ca 0.10 -1.14 -0.18 0.00 -0.02 0.00 0.00 54.58 53.33 1gks n ASN 29 Cb 0.53 -1.40 -0.02 0.00 -2.36 0.00 0.00 39.78 36.52 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gks n ALA 30 N -4.31 1.39 -0.33 -2.53 0.00 -1.25 -4.88 120.51 108.59 1gks n ALA 30 Ca -0.23 -2.90 0.03 0.00 0.00 0.00 0.00 53.44 50.33 1gks n ALA 30 Cb 0.58 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 19.16 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 0.93 -0.13 -0.34 0.00 -0.02 -1.26 -0.36 135.00 133.82 1gks n PRO 31 Ca 0.19 1.37 0.18 0.00 -2.02 0.00 0.00 63.50 63.22 1gks n PRO 31 Cb 0.61 -2.04 0.39 0.00 -0.02 0.00 0.00 33.50 32.44 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 0.57 0.00 -0.52 5.08 -1.99 0.21 114.58 117.93 1gks h GLU 32 Ca 0.38 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1gks h GLU 32 Cb 0.60 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1gks h GLU 32 CO -0.90 0.38 -0.10 -0.44 -1.00 0.00 0.00 179.01 176.95 1gks h ASP 33 N 0.59 0.00 0.00 1.42 5.19 -1.07 -3.14 116.42 119.40 1gks h ASP 33 Ca 0.62 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.75 1gks h ASP 33 Cb 1.21 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.66 1gks h ASP 33 CO -0.42 0.10 -2.09 0.79 -3.12 0.00 0.00 179.24 174.49 1gks n TRP 34 N -3.96 0.00 -0.33 4.55 7.02 0.38 -4.63 117.44 120.48 1gks n TRP 34 Ca -0.02 0.00 0.26 0.00 -1.02 0.00 0.00 57.50 56.72 1gks n TRP 34 Cb 0.19 -0.78 0.50 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 h ALA 35 N 0.80 1.90 0.00 6.99 0.00 -0.67 0.15 119.26 128.42 1gks h ALA 35 Ca -0.43 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1gks h ALA 35 Cb 1.97 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 20.10 1gks h ALA 35 CO 0.02 -0.80 -0.87 -0.44 0.00 0.00 0.00 179.25 177.16 1gks h ASP 36 N 0.06 0.00 -3.81 0.00 5.19 -1.83 -3.47 116.42 112.57 1gks h ASP 36 Ca 0.77 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.70 1gks h ASP 36 Cb 1.91 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.40 1gks h ASP 36 CO -0.77 0.26 0.31 -0.13 -3.12 0.00 0.00 179.24 175.79 1gks s ARG 37 N -3.13 4.58 -0.95 3.56 0.52 0.53 -4.94 118.95 119.12 1gks s ARG 37 Ca 0.01 1.29 -0.26 0.00 -0.52 0.00 0.00 55.73 56.25 1gks s ARG 37 Cb 0.08 -2.91 -0.16 0.00 0.52 0.00 0.00 34.95 32.48 1gks s ARG 37 CO 0.77 0.35 2.22 -2.14 0.02 0.00 0.00 175.30 176.51 1gks s PRO 38 N -1.87 1.57 0.61 3.54 0.02 -1.26 -4.76 135.00 132.86 1gks s PRO 38 Ca 0.47 -0.07 0.31 0.00 0.02 0.00 0.00 61.00 61.73 1gks s PRO 38 Cb -0.20 -4.92 1.69 0.00 0.02 0.00 0.00 34.50 31.09 1gks s PRO 38 CO 0.25 -4.76 2.04 0.77 -0.33 0.00 0.00 177.00 174.97 1gks h SER 39 N 11.91 0.00 -1.28 2.53 0.02 -1.92 -3.35 113.55 121.45 1gks h SER 39 Ca 0.03 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.31 1gks h SER 39 Cb 0.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1gks h SER 39 CO 1.04 0.00 1.31 -1.20 -1.14 0.00 0.00 176.83 176.84 1gks n SER 40 N -3.51 2.35 -0.29 3.07 7.64 -1.26 -4.82 113.62 116.80 1gks n SER 40 Ca 0.02 0.57 0.11 0.00 1.01 0.00 0.00 58.87 60.58 1gks n SER 40 Cb 0.38 -1.26 0.27 0.00 -1.01 0.00 0.00 64.21 62.59 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 6.63 0.38 -0.93 0.44 2.07 -1.98 0.17 116.25 123.02 1gks h VAL 41 Ca -0.33 -0.08 0.26 0.00 0.82 0.00 0.00 66.70 67.36 1gks h VAL 41 Cb 1.31 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1gks h VAL 41 CO 1.00 0.05 0.65 -0.78 0.02 0.00 0.00 177.57 178.51 1gks h ASP 42 N 0.25 0.12 0.00 0.57 3.58 -1.93 0.11 116.42 119.11 1gks h ASP 42 Ca 0.52 0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.79 1gks h ASP 42 Cb 1.01 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 1gks h ASP 42 CO -0.61 0.04 -1.21 -0.62 -2.88 0.00 0.00 179.24 173.96 1gks n GLU 43 N -4.34 0.54 -0.33 0.28 1.02 0.44 -4.32 120.64 113.94 1gks n GLU 43 Ca 0.20 0.52 0.15 0.00 -0.02 0.00 0.00 57.16 58.01 1gks n GLU 43 Cb 0.93 -1.70 0.34 0.00 -0.02 0.00 0.00 31.44 31.00 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 0.51 -1.24 -4.62 3.38 -0.62 0.15 115.31 111.87 1gks h LEU 44 Ca -0.29 0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1gks h LEU 44 Cb 1.13 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1gks h LEU 44 CO -0.18 0.06 0.53 1.62 0.09 0.00 0.00 178.44 180.56 1gks h VAL 45 N 0.50 1.15 -0.12 1.22 3.04 -1.01 0.17 116.25 121.19 1gks h VAL 45 Ca 0.60 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 65.93 1gks h VAL 45 Cb 1.14 0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1gks h VAL 45 CO -0.50 0.18 0.01 -0.33 -1.01 0.00 0.00 177.57 175.92 1gks h GLU 46 N 1.01 0.21 -0.85 4.17 4.39 -0.91 0.11 114.58 122.71 1gks h GLU 46 Ca 0.31 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.07 1gks h GLU 46 Cb -0.01 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.54 1gks h GLU 46 CO -0.08 0.43 0.47 0.77 -1.16 0.00 0.00 179.01 179.44 1gks h SER 47 N -0.05 0.62 -0.07 1.42 0.02 -0.93 0.12 113.55 114.69 1gks h SER 47 Ca 0.04 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1gks h SER 47 Cb 0.34 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1gks h SER 47 CO 0.00 0.31 -0.01 0.74 -1.14 0.00 0.00 176.83 176.73 1gks h THR 48 N 0.72 1.28 -0.23 -2.27 2.02 -0.31 0.27 112.91 114.39 1gks h THR 48 Ca 0.44 -0.88 -0.12 0.00 0.77 0.00 0.00 66.41 66.62 1gks h THR 48 Cb 0.53 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1gks h THR 48 CO -0.31 0.24 -0.35 0.17 0.37 0.00 0.00 175.52 175.65 1gks h LEU 49 N -0.20 0.70 -0.61 2.58 8.10 -0.33 -3.09 115.31 122.45 1gks h LEU 49 Ca 0.02 -0.52 -0.14 0.00 0.11 0.00 0.00 57.88 57.34 1gks h LEU 49 Cb 0.39 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.40 1gks h LEU 49 CO 0.01 1.08 -0.48 0.00 -4.11 0.00 0.00 178.44 174.94 1gks h ALA 50 N 0.64 0.79 0.00 0.17 0.00 -0.85 0.26 119.26 120.27 1gks h ALA 50 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1gks h ALA 50 Cb 0.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1gks h ALA 50 CO 0.08 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1gks n GLY 51 N 0.11 1.75 3.35 0.00 0.00 0.96 -4.54 105.19 106.82 1gks n GLY 51 Ca -0.02 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.77 0.80 6.39 1.61 2.20 -1.24 -4.83 119.74 120.90 1gks s LYS 52 Ca 0.00 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1gks s LYS 52 Cb 0.00 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 1gks s LYS 52 CO 0.00 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1gks n GLY 53 N 1.21 3.28 0.79 5.54 0.00 -1.26 -0.71 105.19 114.04 1gks n GLY 53 Ca -0.20 0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 11.72 2.55 -2.10 4.61 0.00 -1.26 -5.02 120.51 131.02 1gks n ALA 54 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 53.44 51.39 1gks n ALA 54 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.77 4.27 -0.91 0.00 0.00 0.11 -4.91 119.30 116.08 1gks s MET 55 Ca 0.32 2.14 -0.24 0.00 0.00 0.00 0.00 55.69 57.91 1gks s MET 55 Cb 0.22 -3.42 -0.01 0.00 0.00 0.00 0.00 34.83 31.62 1gks s MET 55 CO 0.13 -0.57 1.74 -1.25 0.00 0.00 0.00 175.02 175.07 1gks s PRO 56 N 1.88 2.95 -0.09 4.11 0.04 -1.26 -4.25 135.00 138.37 1gks s PRO 56 Ca 0.67 -0.50 -0.12 0.00 0.04 0.00 0.00 61.00 61.08 1gks s PRO 56 Cb -0.37 -5.07 -0.06 0.00 0.04 0.00 0.00 34.50 29.05 1gks s PRO 56 CO 0.30 -2.87 0.40 0.00 0.04 0.00 0.00 177.00 174.86 1gks n ALA 57 N 11.92 -0.71 0.42 8.56 0.00 -1.26 -4.87 120.51 134.58 1gks n ALA 57 Ca 0.34 0.15 0.11 0.00 0.00 0.00 0.00 53.44 54.04 1gks n ALA 57 Cb 0.49 -0.52 0.26 0.00 0.00 0.00 0.00 19.45 19.68 1gks n ALA 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gks n TYR 58 N 0.88 0.55 -1.30 0.00 4.02 0.27 -4.91 117.16 116.67 1gks n TYR 58 Ca 0.08 -0.27 -0.57 0.00 -0.01 0.00 0.00 57.90 57.12 1gks n TYR 58 Cb -0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.20 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 1.19 0.98 0.00 7.72 2.03 0.67 -0.02 116.55 129.13 1gks n ASP 59 Ca 0.19 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.10 1gks n ASP 59 Cb 0.52 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 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 7.27 2.57 0.10 0.27 0.00 -1.26 -4.77 105.19 109.37 1gks n GLY 60 Ca 0.53 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 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 1.33 0.15 -4.87 1.61 3.08 -0.79 -3.44 114.38 111.46 1gks h ARG 61 Ca 0.00 -0.26 -0.61 0.00 0.07 0.00 0.00 59.98 59.19 1gks h ARG 61 Cb 0.00 0.10 -0.34 0.00 0.08 0.00 0.00 29.97 29.80 1gks h ARG 61 CO 0.00 1.12 -0.84 0.00 -1.07 0.00 0.00 179.97 179.18 1gks s ALA 62 N -2.35 1.81 0.45 0.04 0.00 -0.40 -5.05 121.76 116.25 1gks s ALA 62 Ca -0.18 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 1gks s ALA 62 Cb 0.01 -0.83 -0.10 0.00 0.00 0.00 0.00 23.12 22.19 1gks s ALA 62 CO 0.74 -0.01 0.98 0.34 0.00 0.00 0.00 175.76 177.82 1gks s ASP 63 N 0.86 6.71 0.10 0.00 2.15 -1.26 -4.64 116.67 120.58 1gks s ASP 63 Ca -0.09 1.77 -0.03 0.00 0.43 0.00 0.00 52.55 54.63 1gks s ASP 63 Cb -0.15 -2.55 0.17 0.00 -0.30 0.00 0.00 42.92 40.09 1gks s ASP 63 CO 0.00 -0.52 0.56 -1.14 -0.17 0.00 0.00 175.17 173.90 1gks n ARG 64 N -0.81 -0.03 0.05 4.34 0.63 -1.26 0.26 116.66 119.84 1gks n ARG 64 Ca 0.08 0.56 -0.12 0.00 -0.92 0.00 0.00 57.85 57.45 1gks n ARG 64 Cb 0.53 -0.84 -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 -0.04 0.16 -0.14 3.07 -1.99 0.23 114.58 115.87 1gks h GLU 65 Ca 0.18 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1gks h GLU 65 Cb 0.27 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 1gks h GLU 65 CO -0.37 0.00 -0.35 -0.44 -1.40 0.00 0.00 179.01 176.46 1gks h ASP 66 N -0.08 -0.99 0.02 1.42 3.32 -0.55 -1.49 116.42 118.07 1gks h ASP 66 Ca -0.00 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1gks h ASP 66 Cb 0.07 0.37 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 1gks h ASP 66 CO 0.01 -0.44 -0.52 -0.07 -1.72 0.00 0.00 179.24 176.50 1gks h LEU 67 N -0.60 -1.58 -0.65 1.55 3.38 -1.07 -2.46 115.31 113.88 1gks h LEU 67 Ca 0.02 0.18 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1gks h LEU 67 Cb 0.61 0.60 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 1gks h LEU 67 CO -0.18 -0.52 -0.33 0.58 0.09 0.00 0.00 178.44 178.08 1gks h VAL 68 N -0.67 0.16 -0.62 1.22 2.07 -0.35 0.21 116.25 118.26 1gks h VAL 68 Ca 0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 1gks h VAL 68 Cb 0.72 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1gks h VAL 68 CO -0.34 0.00 0.41 0.11 0.02 0.00 0.00 177.57 177.77 1gks h LYS 69 N -0.13 0.43 0.00 1.57 1.79 -0.93 0.85 116.57 120.15 1gks h LYS 69 Ca 0.25 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.61 1gks h LYS 69 Cb 0.56 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1gks h LYS 69 CO -0.72 0.28 -0.36 0.00 -1.08 0.00 0.00 179.45 177.58 1gks h ALA 70 N 1.69 0.04 -0.03 3.86 0.00 -0.28 -3.27 119.26 121.27 1gks h ALA 70 Ca 0.29 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1gks h ALA 70 Cb 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1gks h ALA 70 CO -0.08 0.16 0.00 0.82 0.00 0.00 0.00 179.25 180.15 1gks h ILE 71 N -0.41 0.98 -0.69 0.00 2.04 0.05 -0.09 117.51 119.39 1gks h ILE 71 Ca -0.05 -0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.90 1gks h ILE 71 Cb 1.11 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 1gks h ILE 71 CO 0.07 0.00 0.33 1.05 0.00 0.00 0.00 178.15 179.61 1gks h GLU 72 N 0.01 0.56 0.05 2.37 4.11 -1.01 0.14 114.58 120.80 1gks h GLU 72 Ca 0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1gks h GLU 72 Cb 0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1gks h GLU 72 CO -0.02 0.37 -0.02 -0.92 0.07 0.00 0.00 179.01 178.48 1gks h TYR 73 N 0.57 -0.06 -0.70 2.06 3.20 -1.49 0.39 116.97 120.94 1gks h TYR 73 Ca 0.34 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.30 1gks h TYR 73 Cb 0.36 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 1gks h TYR 73 CO -0.12 0.02 0.34 0.00 -1.64 0.00 0.00 178.16 176.76 1gks h MET 74 N -0.12 0.56 -0.25 1.82 -0.00 0.05 -0.75 114.93 116.23 1gks h MET 74 Ca -0.01 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.70 59.56 1gks h MET 74 Cb 0.10 -0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 31.56 1gks h MET 74 CO 0.01 0.37 -0.27 -0.07 -0.00 0.00 0.00 176.91 176.96 1gks h LEU 75 N 0.58 0.50 -4.97 -0.10 3.38 -0.49 -3.31 115.31 110.90 1gks h LEU 75 Ca 0.35 -0.17 -0.35 0.00 0.09 0.00 0.00 57.88 57.79 1gks h LEU 75 Cb 0.38 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1gks h LEU 75 CO -0.28 0.75 1.95 -1.20 0.09 0.00 0.00 178.44 179.76 1gks n SER 76 N -4.11 5.29 0.00 -0.43 7.64 0.10 -2.21 113.62 119.90 1gks n SER 76 Ca -0.00 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.55 1gks n SER 76 Cb 0.42 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 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 3.56 0.00 0.00 0.44 -2.24 -1.25 -4.97 114.28 109.82 1gks n THR 77 Ca 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 1gks n THR 77 Cb 0.32 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68