#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 1.83 0.94 0.27 0.00 -1.96 0.32 103.07 104.47 1gks h GLY 2 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1gks h GLY 2 CO 0.00 -0.26 0.13 1.05 0.00 0.00 0.00 176.54 177.46 1gks h GLU 3 N 0.53 0.34 -0.33 4.80 4.11 -1.91 0.52 114.58 122.64 1gks h GLU 3 Ca 0.63 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 60.06 1gks h GLU 3 Cb 1.20 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1gks h GLU 3 CO -0.49 0.32 0.06 0.77 0.07 0.00 0.00 179.01 179.74 1gks h SER 4 N 0.27 0.01 0.56 3.06 0.02 -1.44 0.11 113.55 116.14 1gks h SER 4 Ca 0.08 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1gks h SER 4 Cb 0.08 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1gks h SER 4 CO -0.01 0.04 -0.30 0.40 -1.14 0.00 0.00 176.83 175.82 1gks h ILE 5 N 0.18 0.39 -0.13 3.27 2.04 -0.85 0.16 117.51 122.57 1gks h ILE 5 Ca 0.15 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.04 1gks h ILE 5 Cb 0.17 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1gks h ILE 5 CO -0.21 0.00 -0.06 0.22 0.00 0.00 0.00 178.15 178.10 1gks h TYR 6 N -0.79 -0.15 -0.13 1.37 5.03 -0.64 0.11 116.97 121.76 1gks h TYR 6 Ca -0.07 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.16 1gks h TYR 6 Cb 0.62 0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.99 1gks h TYR 6 CO -0.06 -0.10 -0.27 0.82 -1.32 0.00 0.00 178.16 177.23 1gks h ILE 7 N -0.05 1.37 -0.04 1.81 2.04 -0.73 -2.47 117.51 119.44 1gks h ILE 7 Ca 0.07 -1.54 -0.16 0.00 1.00 0.00 0.00 64.86 64.23 1gks h ILE 7 Cb 0.16 2.03 -0.18 0.00 -0.74 0.00 0.00 36.82 38.09 1gks h ILE 7 CO -0.16 0.45 -0.40 -0.46 0.00 0.00 0.00 178.15 177.58 1gks n ASN 8 N -4.43 -0.88 -1.86 1.72 2.04 0.46 -4.62 115.26 107.68 1gks n ASN 8 Ca -0.07 -2.11 0.03 0.00 -0.44 0.00 0.00 54.58 51.98 1gks n ASN 8 Cb 0.45 0.39 0.03 0.00 -2.53 0.00 0.00 39.78 38.13 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 -0.83 1.44 3.10 4.83 0.00 0.35 -4.87 105.19 109.22 1gks n GLY 9 Ca -0.18 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.27 0.42 -0.14 2.61 -4.23 -1.03 -4.73 115.64 107.27 1gks s THR 10 Ca 0.32 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1gks s THR 10 Cb 0.37 -1.30 0.06 0.00 1.34 0.00 0.00 72.50 72.97 1gks s THR 10 CO -0.13 -0.81 0.12 0.00 -0.54 0.00 0.00 174.62 173.26 1gks s ALA 11 N -3.18 0.17 0.72 3.99 0.00 -1.26 -2.66 121.76 119.54 1gks s ALA 11 Ca 0.04 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 1gks s ALA 11 Cb 0.02 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1gks s ALA 11 CO -0.06 -0.97 0.44 -2.30 0.00 0.00 0.00 175.76 172.87 1gks n PRO 12 N 5.30 0.27 -2.12 0.00 -0.02 -1.26 -4.94 135.00 132.23 1gks n PRO 12 Ca -0.06 0.13 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 1gks n PRO 12 Cb 0.49 -1.75 -0.00 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.92 2.77 0.30 3.45 -4.23 -1.09 -4.89 115.64 110.03 1gks s THR 13 Ca 0.64 0.65 0.02 0.00 -1.18 0.00 0.00 61.69 61.81 1gks s THR 13 Cb -0.35 -3.36 0.29 0.00 1.34 0.00 0.00 72.50 70.41 1gks s THR 13 CO 0.59 0.06 1.88 0.00 -0.54 0.00 0.00 174.62 176.61 1gks h SER 15 N 0.99 0.00 -0.21 0.00 4.64 -1.71 -0.57 113.55 116.69 1gks h SER 15 Ca 0.43 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.81 1gks h SER 15 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1gks h SER 15 CO -0.19 0.00 0.17 0.28 -0.87 0.00 0.00 176.83 176.23 1gks h SER 16 N 0.00 0.00 0.00 4.97 0.02 -1.05 -3.19 113.55 114.31 1gks h SER 16 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1gks h SER 16 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1gks h SER 16 CO -0.00 0.00 -0.67 0.00 -1.14 0.00 0.00 176.83 175.02 1gks h HIS 18 N 0.00 0.00 0.19 0.00 3.86 -1.31 0.26 115.15 118.15 1gks h HIS 18 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1gks h HIS 18 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1gks h HIS 18 CO 0.00 0.02 -0.09 0.22 0.86 0.00 0.00 177.93 178.93 1gks h ASP 19 N 0.00 -0.22 0.73 2.45 3.58 -1.73 -3.24 116.42 117.99 1gks h ASP 19 Ca -0.00 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 1gks h ASP 19 Cb 0.52 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 1gks h ASP 19 CO 0.00 -0.06 -1.34 0.54 -2.88 0.00 0.00 179.24 175.51 1gks n ARG 20 N -5.15 0.62 -1.99 0.28 1.74 -1.20 -4.77 116.66 106.19 1gks n ARG 20 Ca -0.09 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1gks n ARG 20 Cb 0.16 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1gks n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gks n GLY 21 N 1.31 0.86 3.75 -0.13 0.00 0.75 -4.99 105.19 106.73 1gks n GLY 21 Ca -0.06 -0.53 -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 -2.80 2.15 -1.13 1.61 0.11 -0.30 -1.85 120.40 118.20 1gks s VAL 22 Ca 0.00 0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1gks s VAL 22 Cb 0.00 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1gks s VAL 22 CO 0.00 -0.00 0.02 0.00 -3.33 0.00 0.00 175.10 171.78 1gks n ALA 23 N -1.04 -0.77 -1.25 1.54 0.00 -1.26 -0.74 120.51 116.99 1gks n ALA 23 Ca 0.10 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 1gks n ALA 23 Cb 0.45 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.84 0.91 3.75 0.00 0.00 -0.77 -4.91 105.19 103.33 1gks n GLY 24 Ca -0.15 -0.71 -0.41 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 2.62 -1.73 4.61 0.00 0.08 -4.89 120.51 122.24 1gks n ALA 25 Ca -0.07 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1gks n ALA 25 Cb 0.25 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 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 -0.67 4.13 0.66 0.00 0.04 -1.26 -4.33 135.00 133.57 1gks s PRO 26 Ca 0.63 2.60 -0.03 0.00 0.04 0.00 0.00 61.00 64.24 1gks s PRO 26 Cb -0.48 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 30.92 1gks s PRO 26 CO 0.50 -0.77 0.94 -1.21 0.04 0.00 0.00 177.00 176.49 1gks s GLU 27 N 1.56 2.18 0.63 4.56 2.02 -1.26 -4.80 118.70 123.59 1gks s GLU 27 Ca 0.76 -0.58 -0.14 0.00 0.02 0.00 0.00 54.97 55.03 1gks s GLU 27 Cb -0.49 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 1gks s GLU 27 CO 0.33 -1.13 1.06 -0.51 0.02 0.00 0.00 175.26 175.03 1gks s LEU 28 N -5.08 3.38 -1.41 1.80 2.01 -1.26 -3.86 118.68 114.26 1gks s LEU 28 Ca 0.61 1.75 -0.10 0.00 0.01 0.00 0.00 54.13 56.40 1gks s LEU 28 Cb -0.10 -4.52 0.06 0.00 0.01 0.00 0.00 46.19 41.65 1gks s LEU 28 CO 0.43 -1.26 0.63 0.59 1.01 0.00 0.00 176.35 177.75 1gks n ASN 29 N -2.39 -4.45 -3.19 2.29 3.02 -1.23 -4.92 115.26 104.38 1gks n ASN 29 Ca 0.08 -0.47 -0.23 0.00 -0.03 0.00 0.00 54.58 53.93 1gks n ASN 29 Cb 0.53 -3.62 -0.05 0.00 -0.61 0.00 0.00 39.78 36.02 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 -3.81 2.83 -0.34 5.41 0.00 -1.25 -4.92 120.51 118.43 1gks n ALA 30 Ca -0.02 -3.78 0.14 0.00 0.00 0.00 0.00 53.44 49.78 1gks n ALA 30 Cb 0.55 -0.85 0.27 0.00 0.00 0.00 0.00 19.45 19.42 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 0.75 -0.08 -0.35 0.00 -0.02 -1.26 -0.29 135.00 133.75 1gks n PRO 31 Ca 0.25 1.49 0.14 0.00 -2.02 0.00 0.00 63.50 63.35 1gks n PRO 31 Cb 0.54 -2.34 0.34 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.71 0.00 -0.52 3.07 -1.98 0.21 114.58 116.07 1gks h GLU 32 Ca 0.58 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.39 1gks h GLU 32 Cb 1.17 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1gks h GLU 32 CO -0.94 0.47 -0.06 -0.44 -1.40 0.00 0.00 179.01 176.64 1gks h ASP 33 N 0.73 0.00 0.00 1.42 5.19 -1.02 -3.25 116.42 119.49 1gks h ASP 33 Ca 0.58 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.77 1gks h ASP 33 Cb 0.94 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.41 1gks h ASP 33 CO -0.37 0.06 -1.80 0.79 -3.12 0.00 0.00 179.24 174.80 1gks n TRP 34 N -3.29 0.00 -0.32 4.55 7.02 0.27 -4.68 117.44 120.99 1gks n TRP 34 Ca -0.01 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.51 1gks n TRP 34 Cb 0.25 -0.57 0.11 0.00 -2.42 0.00 0.00 31.31 28.67 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 -2.46 0.15 0.17 6.99 0.00 0.48 -0.29 120.51 125.55 1gks n ALA 35 Ca -0.19 0.94 0.05 0.00 0.00 0.00 0.00 53.44 54.24 1gks n ALA 35 Cb 0.87 -0.54 0.16 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.88 0.00 5.19 -1.85 -3.46 116.42 112.42 1gks h ASP 36 Ca 0.40 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.33 1gks h ASP 36 Cb 0.62 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.12 1gks h ASP 36 CO -0.89 0.39 0.38 -0.13 -3.12 0.00 0.00 179.24 175.87 1gks s ARG 37 N -3.18 4.50 -0.62 3.56 0.52 0.61 -4.94 118.95 119.40 1gks s ARG 37 Ca 0.03 1.46 -0.26 0.00 -0.52 0.00 0.00 55.73 56.44 1gks s ARG 37 Cb 0.08 -2.82 -0.11 0.00 0.52 0.00 0.00 34.95 32.62 1gks s ARG 37 CO 0.71 0.18 2.43 -2.30 0.02 0.00 0.00 175.30 176.33 1gks n PRO 38 N 0.55 0.82 0.14 3.54 -0.02 -1.26 -4.79 135.00 133.98 1gks n PRO 38 Ca 0.02 -0.29 0.18 0.00 -2.02 0.00 0.00 63.50 61.38 1gks n PRO 38 Cb 0.49 -3.41 0.77 0.00 -0.02 0.00 0.00 33.50 31.33 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 16.87 0.00 -0.88 2.55 0.02 -1.91 -3.39 113.55 126.80 1gks h SER 39 Ca -0.15 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.24 1gks h SER 39 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1gks h SER 39 CO 1.13 0.00 1.58 -1.20 -1.14 0.00 0.00 176.83 177.19 1gks n SER 40 N -3.96 1.60 -0.30 3.07 7.64 -1.26 -4.84 113.62 115.58 1gks n SER 40 Ca 0.04 0.09 0.13 0.00 1.01 0.00 0.00 58.87 60.14 1gks n SER 40 Cb 0.43 -1.24 0.29 0.00 -1.01 0.00 0.00 64.21 62.68 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 7.53 0.35 -0.34 0.44 2.07 -1.99 0.15 116.25 124.47 1gks h VAL 41 Ca -0.19 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1gks h VAL 41 Cb 1.31 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1gks h VAL 41 CO 1.17 0.05 0.23 -0.78 0.02 0.00 0.00 177.57 178.25 1gks h ASP 42 N 0.25 0.20 0.05 0.57 3.58 -1.94 0.51 116.42 119.63 1gks h ASP 42 Ca 0.55 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.90 1gks h ASP 42 Cb 1.10 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1gks h ASP 42 CO -0.62 0.13 -0.48 -0.33 -2.88 0.00 0.00 179.24 175.06 1gks h GLU 43 N 0.23 0.10 -0.93 0.28 3.07 -1.07 -3.35 114.58 112.92 1gks h GLU 43 Ca 0.15 -0.17 0.17 0.00 -0.50 0.00 0.00 59.36 59.00 1gks h GLU 43 Cb 0.29 0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 28.17 1gks h GLU 43 CO -0.03 1.08 0.52 -0.07 -1.40 0.00 0.00 179.01 179.12 1gks h LEU 44 N -0.77 0.65 -1.59 1.33 3.38 -0.51 0.16 115.31 117.96 1gks h LEU 44 Ca -0.10 0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1gks h LEU 44 Cb 1.27 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1gks h LEU 44 CO 0.02 0.25 0.28 -0.37 0.09 0.00 0.00 178.44 178.71 1gks h VAL 45 N 0.70 1.11 -0.14 1.22 -1.51 -1.06 -1.39 116.25 115.16 1gks h VAL 45 Ca 0.52 -0.20 -0.00 0.00 -1.23 0.00 0.00 66.70 65.80 1gks h VAL 45 Cb 0.77 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 1gks h VAL 45 CO -0.38 0.10 0.09 -0.33 -1.23 0.00 0.00 177.57 175.83 1gks h GLU 46 N 0.57 0.20 -0.85 5.19 4.39 -0.81 0.32 114.58 123.58 1gks h GLU 46 Ca 0.16 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.96 1gks h GLU 46 Cb -0.06 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.47 1gks h GLU 46 CO -0.03 0.17 0.47 0.77 -1.16 0.00 0.00 179.01 179.23 1gks h SER 47 N 0.16 0.63 -0.19 1.42 0.02 -1.28 0.11 113.55 114.43 1gks h SER 47 Ca 0.05 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1gks h SER 47 Cb 0.03 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1gks h SER 47 CO -0.01 0.32 -0.25 0.74 -1.14 0.00 0.00 176.83 176.49 1gks h THR 48 N 0.73 1.34 0.05 -2.27 2.02 -0.42 0.24 112.91 114.60 1gks h THR 48 Ca 0.44 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1gks h THR 48 Cb 0.52 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1gks h THR 48 CO -0.30 0.44 -0.03 -0.07 0.37 0.00 0.00 175.52 175.93 1gks h LEU 49 N 0.16 -0.06 -0.61 2.58 3.38 0.03 -1.12 115.31 119.68 1gks h LEU 49 Ca 0.02 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 1gks h LEU 49 Cb 0.81 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1gks h LEU 49 CO 0.06 0.16 -0.65 0.00 0.09 0.00 0.00 178.44 178.10 1gks h ALA 50 N 0.65 0.84 0.00 1.53 0.00 -0.84 0.88 119.26 122.33 1gks h ALA 50 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1gks h ALA 50 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1gks h ALA 50 CO 0.01 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1gks n GLY 51 N 0.51 1.43 3.44 0.00 0.00 0.84 -4.09 105.19 107.32 1gks n GLY 51 Ca -0.01 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.15 0.49 7.41 1.61 2.20 -0.08 -4.76 119.74 123.46 1gks s LYS 52 Ca 0.00 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 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 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 1gks n GLY 53 N 5.43 3.69 0.20 5.54 0.00 -1.26 -0.47 105.19 118.32 1gks n GLY 53 Ca -0.09 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 0.89 -2.21 4.61 0.00 -1.98 -3.45 119.26 116.14 1gks h ALA 54 Ca 0.00 -0.23 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 1gks h ALA 54 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1gks h ALA 54 CO 0.00 0.32 1.13 1.41 0.00 0.00 0.00 179.25 182.11 1gks s MET 55 N -3.30 4.05 0.61 0.00 0.00 0.38 -4.98 119.30 116.06 1gks s MET 55 Ca 0.03 2.12 -0.16 0.00 0.00 0.00 0.00 55.69 57.69 1gks s MET 55 Cb 0.08 -4.03 -0.03 0.00 0.00 0.00 0.00 34.83 30.85 1gks s MET 55 CO 0.68 -1.01 1.08 -1.25 0.00 0.00 0.00 175.02 174.52 1gks s PRO 56 N 4.33 3.15 0.07 4.11 0.04 -1.26 -0.91 135.00 144.53 1gks s PRO 56 Ca 0.76 1.30 -0.31 0.00 0.04 0.00 0.00 61.00 62.80 1gks s PRO 56 Cb -0.33 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 1gks s PRO 56 CO 0.31 -0.96 1.82 0.00 0.04 0.00 0.00 177.00 178.20 1gks s ALA 57 N -2.36 3.69 -0.85 8.56 0.00 -1.26 -4.31 121.76 125.24 1gks s ALA 57 Ca 0.65 1.32 0.24 0.00 0.00 0.00 0.00 51.96 54.18 1gks s ALA 57 Cb -0.18 -3.77 0.26 0.00 0.00 0.00 0.00 23.12 19.43 1gks s ALA 57 CO 0.37 -1.31 1.23 0.66 0.00 0.00 0.00 175.76 176.71 1gks n TYR 58 N 6.28 0.14 -1.57 0.00 4.02 -0.15 -4.86 117.16 121.03 1gks n TYR 58 Ca 0.18 0.04 -0.60 0.00 -0.01 0.00 0.00 57.90 57.51 1gks n TYR 58 Cb 0.40 -0.32 -0.09 0.00 -0.02 0.00 0.00 39.34 39.31 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 -1.71 1.62 0.00 7.72 2.03 0.12 -0.29 116.55 126.04 1gks n ASP 59 Ca 0.04 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.26 1gks n ASP 59 Cb 0.38 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 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 5.32 2.93 0.12 0.27 0.00 -1.26 -4.78 105.19 107.79 1gks n GLY 60 Ca 0.37 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 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 0.72 0.23 -6.37 1.61 3.08 -0.98 -3.45 114.38 109.22 1gks h ARG 61 Ca 0.00 -0.40 -0.67 0.00 0.07 0.00 0.00 59.98 58.98 1gks h ARG 61 Cb 0.00 0.15 -0.16 0.00 0.08 0.00 0.00 29.97 30.04 1gks h ARG 61 CO 0.00 1.19 -0.71 0.00 -1.07 0.00 0.00 179.97 179.38 1gks s ALA 62 N -2.44 3.03 0.02 0.04 0.00 -0.19 -4.98 121.76 117.24 1gks s ALA 62 Ca -0.18 -1.09 -0.26 0.00 0.00 0.00 0.00 51.96 50.42 1gks s ALA 62 Cb 0.03 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 1gks s ALA 62 CO 0.77 0.63 0.82 0.34 0.00 0.00 0.00 175.76 178.32 1gks s ASP 63 N -1.73 7.23 0.20 0.00 -1.08 -1.26 -4.65 116.67 115.38 1gks s ASP 63 Ca 0.19 1.48 0.05 0.00 -0.52 0.00 0.00 52.55 53.75 1gks s ASP 63 Cb -0.11 -2.49 0.58 0.00 -1.46 0.00 0.00 42.92 39.43 1gks s ASP 63 CO 0.10 -0.08 0.94 -1.14 0.52 0.00 0.00 175.17 175.51 1gks n ARG 64 N 3.25 -0.04 -0.21 4.34 0.63 -1.26 0.43 116.66 123.80 1gks n ARG 64 Ca 0.00 0.87 -0.03 0.00 -0.92 0.00 0.00 57.85 57.78 1gks n ARG 64 Cb 0.50 -1.44 0.08 0.00 0.45 0.00 0.00 32.46 32.05 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 0.61 0.26 -0.14 4.39 -1.99 0.17 114.58 117.88 1gks h GLU 65 Ca 0.41 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.08 1gks h GLU 65 Cb 0.95 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.43 1gks h GLU 65 CO -0.53 0.40 -0.42 -0.44 -1.16 0.00 0.00 179.01 176.87 1gks h ASP 66 N 0.63 -1.20 -0.00 1.42 3.32 -0.41 -0.96 116.42 119.22 1gks h ASP 66 Ca 0.27 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.46 1gks h ASP 66 Cb 0.16 0.43 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 1gks h ASP 66 CO -0.17 -0.53 -0.50 -0.07 -1.72 0.00 0.00 179.24 176.25 1gks h LEU 67 N -0.75 -1.54 -0.68 1.55 3.38 -1.23 0.11 115.31 116.15 1gks h LEU 67 Ca -0.01 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1gks h LEU 67 Cb 0.72 0.59 -0.11 0.00 0.09 0.00 0.00 40.66 41.95 1gks h LEU 67 CO -0.16 -0.51 -0.53 0.58 0.09 0.00 0.00 178.44 177.91 1gks h VAL 68 N -0.65 0.02 -0.79 1.22 2.07 -0.54 0.18 116.25 117.77 1gks h VAL 68 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1gks h VAL 68 Cb 0.71 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1gks h VAL 68 CO -0.35 0.00 0.38 0.11 0.02 0.00 0.00 177.57 177.73 1gks h LYS 69 N -0.20 1.14 -0.53 1.57 1.57 -0.63 0.92 116.57 120.40 1gks h LYS 69 Ca 0.14 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1gks h LYS 69 Cb 0.53 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1gks h LYS 69 CO -0.76 0.88 0.26 0.00 -0.57 0.00 0.00 179.45 179.26 1gks h ALA 70 N 1.20 0.68 -0.13 3.86 0.00 0.16 -1.01 119.26 124.03 1gks h ALA 70 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1gks h ALA 70 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gks h ALA 70 CO -0.03 0.24 0.02 0.82 0.00 0.00 0.00 179.25 180.30 1gks h ILE 71 N 0.71 1.22 -0.34 0.00 2.04 -0.25 0.99 117.51 121.88 1gks h ILE 71 Ca 0.18 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.42 1gks h ILE 71 Cb 0.11 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 1gks h ILE 71 CO -0.02 0.20 -0.18 -0.33 0.00 0.00 0.00 178.15 177.82 1gks h GLU 72 N -0.02 -0.13 0.14 2.37 5.08 -0.62 0.10 114.58 121.52 1gks h GLU 72 Ca 0.04 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1gks h GLU 72 Cb 0.30 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1gks h GLU 72 CO 0.00 -0.09 -0.22 -0.92 -1.00 0.00 0.00 179.01 176.79 1gks h TYR 73 N -0.13 -0.57 -0.43 4.33 3.20 -0.96 0.21 116.97 122.62 1gks h TYR 73 Ca 0.17 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1gks h TYR 73 Cb 0.40 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 1gks h TYR 73 CO -0.39 -0.31 0.13 0.00 -1.64 0.00 0.00 178.16 175.94 1gks h MET 74 N -0.42 0.28 -0.71 1.82 -0.00 -0.04 -1.08 114.93 114.76 1gks h MET 74 Ca 0.02 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.70 59.67 1gks h MET 74 Cb 0.43 -0.06 -0.03 0.00 -0.00 0.00 0.00 31.60 31.93 1gks h MET 74 CO -0.10 0.18 0.30 -0.07 -0.00 0.00 0.00 176.91 177.22 1gks h LEU 75 N 0.29 0.95 0.00 -0.10 3.38 -0.65 -2.47 115.31 116.71 1gks h LEU 75 Ca 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gks h LEU 75 Cb 0.21 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1gks h LEU 75 CO -0.23 0.84 0.00 -1.20 0.09 0.00 0.00 178.44 177.94 1gks n SER 76 N -4.30 0.00 0.08 -0.43 7.64 0.05 -1.21 113.62 115.44 1gks n SER 76 Ca 0.06 0.23 0.12 0.00 1.01 0.00 0.00 58.87 60.29 1gks n SER 76 Cb 0.17 -0.27 0.13 0.00 -1.01 0.00 0.00 64.21 63.23 1gks n SER 76 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1gks h THR 77 N 0.00 0.00 0.00 0.44 1.35 -1.40 -3.50 112.91 109.80 1gks h THR 77 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1gks h THR 77 Cb 0.02 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1gks h THR 77 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45