#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 1.65 0.33 0.44 0.00 -1.96 0.63 103.07 104.16 1gks h GLY 2 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1gks h GLY 2 CO 0.00 -0.41 -0.42 0.83 0.00 0.00 0.00 176.54 176.54 1gks h GLU 3 N 0.27 -0.74 -0.37 4.80 3.07 -1.92 0.21 114.58 119.90 1gks h GLU 3 Ca 0.62 0.05 0.08 0.00 -0.50 0.00 0.00 59.36 59.61 1gks h GLU 3 Cb 1.32 0.17 -0.09 0.00 -0.84 0.00 0.00 28.75 29.32 1gks h GLU 3 CO -0.63 -0.49 -0.26 0.77 -1.40 0.00 0.00 179.01 176.99 1gks h SER 4 N -0.77 -0.87 0.24 1.42 0.02 -1.37 0.12 113.55 112.34 1gks h SER 4 Ca -0.04 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1gks h SER 4 Cb 0.69 0.43 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1gks h SER 4 CO -0.10 -0.28 -0.45 0.40 -1.14 0.00 0.00 176.83 175.26 1gks h ILE 5 N -0.21 0.00 -0.26 3.27 2.04 -1.01 0.14 117.51 121.48 1gks h ILE 5 Ca 0.18 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.07 1gks h ILE 5 Cb 0.49 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1gks h ILE 5 CO -0.49 0.00 0.04 0.22 0.00 0.00 0.00 178.15 177.92 1gks h TYR 6 N -0.74 0.07 -0.31 1.37 5.03 -0.60 0.10 116.97 121.89 1gks h TYR 6 Ca -0.03 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 1gks h TYR 6 Cb 0.69 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.97 1gks h TYR 6 CO -0.35 0.01 -0.10 0.82 -1.32 0.00 0.00 178.16 177.22 1gks h ILE 7 N 0.14 1.28 0.00 1.81 2.04 -0.64 -2.63 117.51 119.51 1gks h ILE 7 Ca 0.12 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1gks h ILE 7 Cb 0.13 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1gks h ILE 7 CO -0.17 0.37 0.00 -0.46 0.00 0.00 0.00 178.15 177.89 1gks n ASN 8 N -4.44 0.00 -2.13 1.72 2.04 0.31 -4.59 115.26 108.17 1gks n ASN 8 Ca -0.03 -1.00 -0.28 0.00 -0.44 0.00 0.00 54.58 52.83 1gks n ASN 8 Cb 0.34 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 37.63 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 0.00 6.22 3.13 4.83 0.00 0.34 -4.95 105.19 114.76 1gks n GLY 9 Ca 0.00 -2.55 -0.12 0.00 0.00 0.00 0.00 46.02 43.36 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 -4.68 0.64 -0.19 2.61 -4.23 -1.07 -4.62 115.64 104.10 1gks s THR 10 Ca 0.56 -1.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1gks s THR 10 Cb 0.44 -1.25 0.06 0.00 1.34 0.00 0.00 72.50 73.10 1gks s THR 10 CO 0.02 -0.67 0.08 0.00 -0.54 0.00 0.00 174.62 173.51 1gks s ALA 11 N -2.71 0.63 0.83 3.99 0.00 -1.26 -2.53 121.76 120.70 1gks s ALA 11 Ca 0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 51.37 1gks s ALA 11 Cb -0.01 -1.11 0.07 0.00 0.00 0.00 0.00 23.12 22.07 1gks s ALA 11 CO -0.03 -1.21 1.00 -2.30 0.00 0.00 0.00 175.76 173.22 1gks n PRO 12 N 5.20 0.05 -2.03 0.00 -0.02 -1.26 -4.65 135.00 132.29 1gks n PRO 12 Ca -0.07 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 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 -2.20 3.41 0.14 3.45 -4.23 -1.05 -4.93 115.64 110.24 1gks s THR 13 Ca 0.69 0.72 -0.18 0.00 -1.18 0.00 0.00 61.69 61.74 1gks s THR 13 Cb -0.28 -3.47 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 1gks s THR 13 CO 0.55 -0.03 1.71 0.00 -0.54 0.00 0.00 174.62 176.32 1gks h SER 15 N 0.08 -1.00 -1.26 0.00 4.64 -1.72 -0.82 113.55 113.48 1gks h SER 15 Ca 0.13 0.28 0.39 0.00 -0.47 0.00 0.00 61.79 62.11 1gks h SER 15 Cb 0.17 0.61 -0.11 0.00 -0.31 0.00 0.00 62.40 62.76 1gks h SER 15 CO -0.22 -0.30 0.83 0.28 -0.87 0.00 0.00 176.83 176.55 1gks h SER 16 N -0.01 0.27 0.00 4.97 0.02 -1.82 0.10 113.55 117.08 1gks h SER 16 Ca 0.41 0.10 -0.30 0.00 -0.84 0.00 0.00 61.79 61.16 1gks h SER 16 Cb 0.65 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 1gks h SER 16 CO -0.94 -0.08 -1.98 0.00 -1.14 0.00 0.00 176.83 172.69 1gks h HIS 18 N -0.89 0.00 -0.52 0.00 3.86 -0.99 0.25 115.15 116.86 1gks h HIS 18 Ca -0.46 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.74 1gks h HIS 18 Cb 1.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.82 1gks h HIS 18 CO -0.16 0.20 0.30 0.22 0.86 0.00 0.00 177.93 179.34 1gks h ASP 19 N 0.00 0.65 0.40 2.45 3.58 -1.02 -3.16 116.42 119.32 1gks h ASP 19 Ca -0.00 -0.08 -0.31 0.00 0.42 0.00 0.00 57.03 57.06 1gks h ASP 19 Cb 0.51 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.34 1gks h ASP 19 CO 0.03 0.54 -1.83 0.54 -2.88 0.00 0.00 179.24 175.63 1gks n ARG 20 N -4.65 0.64 -0.88 0.28 3.00 -1.14 -4.88 116.66 109.03 1gks n ARG 20 Ca 0.03 0.24 0.00 0.00 -0.01 0.00 0.00 57.85 58.11 1gks n ARG 20 Cb 0.08 -1.74 0.00 0.00 0.00 0.00 0.00 32.46 30.79 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 1.60 0.98 3.66 -0.13 0.00 0.68 -4.98 105.19 107.00 1gks n GLY 21 Ca -0.20 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.88 1.24 -2.79 1.61 0.31 -0.02 -1.35 118.33 116.45 1gks n VAL 22 Ca 0.00 -0.31 -0.17 0.00 -0.01 0.00 0.00 64.34 63.85 1gks n VAL 22 Cb 0.18 -1.37 -0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 1.40 -0.89 -1.01 3.52 0.00 -1.26 -0.80 120.51 121.46 1gks n ALA 23 Ca 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 1gks n ALA 23 Cb 0.32 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 -0.98 0.46 3.67 0.00 0.00 -0.46 -4.80 105.19 103.08 1gks n GLY 24 Ca -0.10 -0.51 -0.46 0.00 0.00 0.00 0.00 46.02 44.96 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 1.01 1.32 -1.75 4.61 0.00 0.02 -4.84 120.51 120.87 1gks n ALA 25 Ca -0.00 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 1gks n ALA 25 Cb 0.02 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.10 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 0.79 4.07 0.67 0.00 0.04 -1.26 -4.34 135.00 134.98 1gks s PRO 26 Ca 0.78 2.46 -0.12 0.00 0.04 0.00 0.00 61.00 64.16 1gks s PRO 26 Cb -0.68 -4.14 -0.00 0.00 0.04 0.00 0.00 34.50 29.72 1gks s PRO 26 CO 0.39 -1.02 1.06 -1.21 0.04 0.00 0.00 177.00 176.26 1gks s GLU 27 N 4.51 2.99 0.38 4.56 2.02 -1.26 -4.89 118.70 127.02 1gks s GLU 27 Ca 0.86 1.04 -0.16 0.00 0.02 0.00 0.00 54.97 56.73 1gks s GLU 27 Cb -0.40 -1.99 -0.09 0.00 0.10 0.00 0.00 34.13 31.75 1gks s GLU 27 CO 0.38 -1.06 0.82 -0.51 0.02 0.00 0.00 175.26 174.91 1gks s LEU 28 N -5.28 3.96 -1.23 1.80 1.02 -1.26 -3.69 118.68 114.00 1gks s LEU 28 Ca 0.60 1.38 -0.03 0.00 0.02 0.00 0.00 54.13 56.10 1gks s LEU 28 Cb -0.15 -4.22 0.00 0.00 0.02 0.00 0.00 46.19 41.84 1gks s LEU 28 CO 0.50 -0.31 0.45 0.59 0.02 0.00 0.00 176.35 177.60 1gks n ASN 29 N -0.68 -5.13 -3.20 2.29 3.02 -1.25 -4.98 115.26 105.33 1gks n ASN 29 Ca 0.04 -0.21 -0.23 0.00 -0.03 0.00 0.00 54.58 54.15 1gks n ASN 29 Cb 0.54 -4.00 -0.06 0.00 -0.61 0.00 0.00 39.78 35.64 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 -3.08 2.47 -0.35 5.41 0.00 -1.24 -4.91 120.51 118.81 1gks n ALA 30 Ca -0.10 -3.48 0.02 0.00 0.00 0.00 0.00 53.44 49.88 1gks n ALA 30 Cb 0.60 -0.83 0.08 0.00 0.00 0.00 0.00 19.45 19.29 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 1.20 -0.16 -0.35 0.00 -0.02 -1.26 -0.43 135.00 133.99 1gks n PRO 31 Ca 0.22 1.44 0.18 0.00 -2.02 0.00 0.00 63.50 63.32 1gks n PRO 31 Cb 0.54 -2.15 0.39 0.00 -0.02 0.00 0.00 33.50 32.26 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 -0.06 -0.52 3.07 -1.97 0.23 114.58 115.89 1gks h GLU 32 Ca 0.38 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.16 1gks h GLU 32 Cb 0.61 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 1gks h GLU 32 CO -0.94 0.37 -0.16 -0.44 -1.40 0.00 0.00 179.01 176.44 1gks h ASP 33 N 0.58 0.09 0.00 1.42 5.19 -1.09 -3.19 116.42 119.42 1gks h ASP 33 Ca 0.65 -0.02 -0.27 0.00 -0.62 0.00 0.00 57.03 56.77 1gks h ASP 33 Cb 1.22 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.66 1gks h ASP 33 CO -0.48 0.27 -2.22 0.79 -3.12 0.00 0.00 179.24 174.49 1gks n TRP 34 N -4.30 0.00 -0.31 4.55 7.02 0.22 -4.60 117.44 120.03 1gks n TRP 34 Ca -0.02 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.49 1gks n TRP 34 Cb 0.26 -0.83 0.09 0.00 -2.42 0.00 0.00 31.31 28.41 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 -2.59 0.09 0.18 6.99 0.00 0.56 -0.13 120.51 125.60 1gks n ALA 35 Ca -0.25 0.90 0.09 0.00 0.00 0.00 0.00 53.44 54.19 1gks n ALA 35 Cb 0.98 -0.49 0.11 0.00 0.00 0.00 0.00 19.45 20.05 1gks n ALA 35 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1gks h ASP 36 N 0.00 0.00 -4.13 0.00 5.19 -1.83 -3.47 116.42 112.18 1gks h ASP 36 Ca 0.36 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.29 1gks h ASP 36 Cb 0.58 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.12 1gks h ASP 36 CO -0.86 0.13 0.33 -0.13 -3.12 0.00 0.00 179.24 175.59 1gks s ARG 37 N -3.16 3.79 -0.31 3.56 0.52 0.81 -4.96 118.95 119.20 1gks s ARG 37 Ca 0.05 0.78 -0.33 0.00 -0.52 0.00 0.00 55.73 55.71 1gks s ARG 37 Cb 0.06 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.27 1gks s ARG 37 CO 0.71 -0.32 2.21 -2.30 0.02 0.00 0.00 175.30 175.61 1gks n PRO 38 N -1.93 1.35 0.15 3.54 -0.02 -1.26 -4.83 135.00 132.00 1gks n PRO 38 Ca 0.05 0.36 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 1gks n PRO 38 Cb 0.54 -2.72 0.46 0.00 -0.02 0.00 0.00 33.50 31.76 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 13.35 0.17 -1.45 2.55 0.02 -1.91 -3.42 113.55 122.86 1gks h SER 39 Ca -0.31 -0.02 -0.55 0.00 -0.84 0.00 0.00 61.79 60.06 1gks h SER 39 Cb 1.29 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1gks h SER 39 CO 1.00 0.27 1.56 -1.20 -1.14 0.00 0.00 176.83 177.33 1gks n SER 40 N -4.35 2.37 -0.34 3.07 7.64 -1.26 -4.86 113.62 115.88 1gks n SER 40 Ca -0.01 -0.04 0.18 0.00 1.01 0.00 0.00 58.87 60.01 1gks n SER 40 Cb 0.21 -1.45 0.39 0.00 -1.01 0.00 0.00 64.21 62.35 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 7.44 0.55 -0.98 0.44 2.07 -1.99 0.17 116.25 123.95 1gks h VAL 41 Ca -0.28 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.10 1gks h VAL 41 Cb 1.28 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1gks h VAL 41 CO 1.09 0.11 0.64 -2.24 0.02 0.00 0.00 177.57 177.19 1gks h ASP 42 N 0.58 1.02 -0.02 0.57 2.03 -1.96 0.13 116.42 118.78 1gks h ASP 42 Ca 0.64 0.01 -0.15 0.00 -0.73 0.00 0.00 57.03 56.79 1gks h ASP 42 Cb 1.22 -0.21 0.01 0.00 -0.83 0.00 0.00 39.33 39.52 1gks h ASP 42 CO -0.45 0.66 -0.57 -0.33 -1.03 0.00 0.00 179.24 177.52 1gks h GLU 43 N 1.16 0.43 -0.22 4.15 5.08 -1.07 -3.14 114.58 120.97 1gks h GLU 43 Ca 0.42 -0.43 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1gks h GLU 43 Cb 0.15 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1gks h GLU 43 CO -0.16 1.09 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.84 1gks h LEU 44 N -0.07 -0.15 -0.55 1.33 3.38 -0.75 -0.35 115.31 118.16 1gks h LEU 44 Ca -0.06 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1gks h LEU 44 Cb 1.27 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1gks h LEU 44 CO 0.11 -0.05 0.35 1.62 0.09 0.00 0.00 178.44 180.57 1gks h VAL 45 N 0.03 1.10 -0.59 1.22 3.04 -0.86 0.19 116.25 120.38 1gks h VAL 45 Ca 0.10 -0.24 0.04 0.00 -1.01 0.00 0.00 66.70 65.59 1gks h VAL 45 Cb 0.15 0.34 -0.05 0.00 -2.01 0.00 0.00 31.29 29.72 1gks h VAL 45 CO -0.20 0.13 0.33 -0.33 -1.01 0.00 0.00 177.57 176.49 1gks h GLU 46 N 0.71 0.62 -0.35 4.17 4.39 -1.40 0.26 114.58 122.98 1gks h GLU 46 Ca 0.21 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1gks h GLU 46 Cb -0.04 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1gks h GLU 46 CO -0.07 0.41 0.23 0.77 -1.16 0.00 0.00 179.01 179.20 1gks h SER 47 N 0.64 0.37 -0.11 1.42 0.02 -0.11 -1.04 113.55 114.74 1gks h SER 47 Ca 0.25 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 1gks h SER 47 Cb 0.11 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1gks h SER 47 CO -0.14 0.26 -0.31 0.74 -1.14 0.00 0.00 176.83 176.23 1gks h THR 48 N 0.43 1.39 -0.09 -2.27 2.02 0.24 0.30 112.91 114.93 1gks h THR 48 Ca 0.14 -1.64 0.04 0.00 0.77 0.00 0.00 66.41 65.71 1gks h THR 48 Cb 0.02 2.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1gks h THR 48 CO -0.03 0.48 -0.17 -0.07 0.37 0.00 0.00 175.52 176.10 1gks h LEU 49 N -0.04 -0.52 -0.77 2.58 -0.00 -0.22 -2.25 115.31 114.09 1gks h LEU 49 Ca -0.01 0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 57.85 1gks h LEU 49 Cb 0.93 0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 1gks h LEU 49 CO 0.07 -0.22 -0.20 0.00 -0.00 0.00 0.00 178.44 178.09 1gks h ALA 50 N 0.77 0.95 -0.20 1.53 0.00 -1.22 -1.94 119.26 119.16 1gks h ALA 50 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1gks h ALA 50 Cb 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1gks h ALA 50 CO -0.23 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1gks n GLY 51 N -0.32 -0.20 3.85 0.00 0.00 0.10 -4.24 105.19 104.38 1gks n GLY 51 Ca 0.00 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.70 3.38 5.39 1.61 2.47 -1.12 -4.81 119.74 122.95 1gks s LYS 52 Ca 0.00 -0.18 0.00 0.00 -1.56 0.00 0.00 55.97 54.23 1gks s LYS 52 Cb 0.00 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 33.24 1gks s LYS 52 CO 0.00 0.76 0.00 0.41 0.16 0.00 0.00 175.35 176.68 1gks n GLY 53 N 2.03 2.20 1.30 5.54 0.00 -1.26 -0.80 105.19 114.18 1gks n GLY 53 Ca -0.20 0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 10.49 2.38 -1.77 4.61 0.00 -1.26 -5.01 120.51 129.96 1gks n ALA 54 Ca 0.00 -1.22 -0.36 0.00 0.00 0.00 0.00 53.44 51.86 1gks n ALA 54 Cb 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.55 1gks n ALA 54 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1gks s MET 55 N -1.13 3.42 0.29 0.00 -1.94 0.02 -5.00 119.30 114.95 1gks s MET 55 Ca 0.46 1.77 -0.29 0.00 -1.71 0.00 0.00 55.69 55.93 1gks s MET 55 Cb 0.25 -2.17 -0.09 0.00 2.01 0.00 0.00 34.83 34.82 1gks s MET 55 CO 0.33 -0.83 1.07 -1.25 -0.01 0.00 0.00 175.02 174.33 1gks s PRO 56 N -3.03 4.60 -0.05 2.03 0.04 -1.26 -4.50 135.00 132.84 1gks s PRO 56 Ca 0.70 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 1gks s PRO 56 Cb -0.28 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.08 1gks s PRO 56 CO 0.33 0.21 1.95 0.00 0.04 0.00 0.00 177.00 179.52 1gks s ALA 57 N -1.24 3.39 -2.00 8.56 0.00 -1.26 -4.53 121.76 124.68 1gks s ALA 57 Ca 0.46 1.10 0.16 0.00 0.00 0.00 0.00 51.96 53.68 1gks s ALA 57 Cb -0.30 -3.88 0.96 0.00 0.00 0.00 0.00 23.12 19.91 1gks s ALA 57 CO 0.38 -1.82 1.51 0.66 0.00 0.00 0.00 175.76 176.49 1gks n TYR 58 N 8.38 0.00 -1.48 0.00 4.02 -0.73 -4.75 117.16 122.59 1gks n TYR 58 Ca 0.21 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.66 1gks n TYR 58 Cb 0.42 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.66 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 -0.80 1.71 0.00 7.72 2.03 -1.22 -0.28 116.55 125.71 1gks n ASP 59 Ca 0.12 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1gks n ASP 59 Cb 0.06 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 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 6.40 2.29 0.14 0.27 0.00 -1.26 -4.86 105.19 108.18 1gks n GLY 60 Ca 0.46 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 2.46 0.47 -4.60 1.61 2.47 -0.94 -3.45 114.38 112.39 1gks h ARG 61 Ca 0.00 -0.69 -0.33 0.00 -1.26 0.00 0.00 59.98 57.70 1gks h ARG 61 Cb 0.00 0.24 -0.25 0.00 -1.65 0.00 0.00 29.97 28.31 1gks h ARG 61 CO 0.00 1.31 -0.75 0.00 0.56 0.00 0.00 179.97 181.09 1gks s ALA 62 N -2.74 0.63 0.27 0.04 0.00 -1.09 -4.63 121.76 114.24 1gks s ALA 62 Ca -0.11 -0.55 -0.25 0.00 0.00 0.00 0.00 51.96 51.04 1gks s ALA 62 Cb 0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 23.12 22.99 1gks s ALA 62 CO 0.89 0.08 0.89 0.34 0.00 0.00 0.00 175.76 177.95 1gks s ASP 63 N -0.87 7.35 0.11 0.00 2.15 -1.26 -4.77 116.67 119.37 1gks s ASP 63 Ca -0.03 1.76 -0.03 0.00 0.43 0.00 0.00 52.55 54.68 1gks s ASP 63 Cb -0.06 -2.55 0.17 0.00 -0.30 0.00 0.00 42.92 40.18 1gks s ASP 63 CO 0.00 0.02 0.60 -1.14 -0.17 0.00 0.00 175.17 174.48 1gks n ARG 64 N 0.85 -0.04 0.02 4.34 3.00 -1.26 -0.01 116.66 123.56 1gks n ARG 64 Ca -0.00 0.60 -0.12 0.00 -0.00 0.00 0.00 57.85 58.33 1gks n ARG 64 Cb 0.50 -0.90 -0.08 0.00 0.00 0.00 0.00 32.46 31.98 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 0.01 0.06 -0.14 5.08 -1.99 0.79 114.58 118.40 1gks h GLU 65 Ca 0.18 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1gks h GLU 65 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1gks h GLU 65 CO -0.40 0.20 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.34 1gks h ASP 66 N -0.17 -0.08 -0.04 1.42 3.32 -0.81 -0.20 116.42 119.86 1gks h ASP 66 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1gks h ASP 66 Cb 0.19 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1gks h ASP 66 CO -0.00 -0.05 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.00 1gks h LEU 67 N -0.09 -1.22 -0.13 1.55 3.38 -0.75 0.15 115.31 118.21 1gks h LEU 67 Ca -0.01 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1gks h LEU 67 Cb 0.07 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1gks h LEU 67 CO 0.01 -0.43 -0.27 0.58 0.09 0.00 0.00 178.44 178.42 1gks h VAL 68 N -0.53 0.38 -0.81 1.22 2.07 -0.64 0.15 116.25 118.09 1gks h VAL 68 Ca 0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1gks h VAL 68 Cb 0.63 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1gks h VAL 68 CO -0.33 0.00 0.53 0.11 0.02 0.00 0.00 177.57 177.89 1gks h LYS 69 N -0.34 0.74 0.04 1.57 1.79 -0.63 0.53 116.57 120.27 1gks h LYS 69 Ca 0.10 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1gks h LYS 69 Cb 0.49 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1gks h LYS 69 CO -0.32 0.49 -0.02 0.00 -1.08 0.00 0.00 179.45 178.52 1gks h ALA 70 N 1.59 -0.05 -0.17 3.86 0.00 0.40 -2.83 119.26 122.06 1gks h ALA 70 Ca 0.37 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1gks h ALA 70 Cb 0.42 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1gks h ALA 70 CO -0.14 -0.28 0.08 0.82 0.00 0.00 0.00 179.25 179.73 1gks h ILE 71 N -0.55 0.99 -0.80 0.00 2.04 -0.12 0.15 117.51 119.21 1gks h ILE 71 Ca -0.01 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1gks h ILE 71 Cb 0.50 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1gks h ILE 71 CO 0.01 0.03 0.52 1.05 0.00 0.00 0.00 178.15 179.76 1gks h GLU 72 N 0.17 1.00 -0.11 2.37 4.11 -1.01 -0.57 114.58 120.54 1gks h GLU 72 Ca 0.07 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 1gks h GLU 72 Cb 0.02 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1gks h GLU 72 CO -0.05 0.66 0.06 -0.92 0.07 0.00 0.00 179.01 178.84 1gks h TYR 73 N 1.03 0.14 -0.27 2.06 3.20 -1.10 0.12 116.97 122.16 1gks h TYR 73 Ca 0.31 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.23 1gks h TYR 73 Cb -0.05 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.09 1gks h TYR 73 CO -0.02 0.15 -0.47 0.52 -1.64 0.00 0.00 178.16 176.69 1gks h MET 74 N 0.10 -0.43 -1.00 1.82 2.86 -0.12 -0.02 114.93 118.14 1gks h MET 74 Ca 0.04 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.79 1gks h MET 74 Cb 0.05 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 1gks h MET 74 CO -0.01 -0.28 0.64 -0.07 1.06 0.00 0.00 176.91 178.25 1gks h LEU 75 N -0.44 1.00 -3.53 1.22 3.38 -0.98 -3.02 115.31 112.94 1gks h LEU 75 Ca 0.09 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1gks h LEU 75 Cb 0.62 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1gks h LEU 75 CO -0.50 0.60 -0.03 -1.20 0.09 0.00 0.00 178.44 177.40 1gks n SER 76 N -4.55 3.77 0.00 -0.43 7.64 0.40 -2.07 113.62 118.38 1gks n SER 76 Ca 0.17 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1gks n SER 76 Cb 0.25 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 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 1.88 0.00 1.02 0.44 -2.24 -1.14 -4.97 114.28 109.27 1gks n THR 77 Ca 0.07 -0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.85 1gks n THR 77 Cb 0.42 0.55 0.49 0.00 -2.10 0.00 0.00 70.33 69.69 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68