#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 1.41 0.80 0.44 0.00 -1.98 0.84 103.07 104.57 1gks h GLY 2 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1gks h GLY 2 CO 0.00 -0.18 -0.38 0.83 0.00 0.00 0.00 176.54 176.81 1gks h GLU 3 N 0.43 -1.03 -0.78 4.80 3.07 -1.93 0.43 114.58 119.57 1gks h GLU 3 Ca 0.62 0.07 0.18 0.00 -0.50 0.00 0.00 59.36 59.73 1gks h GLU 3 Cb 1.49 0.23 -0.13 0.00 -0.84 0.00 0.00 28.75 29.50 1gks h GLU 3 CO -0.35 -0.69 0.13 0.77 -1.40 0.00 0.00 179.01 177.47 1gks h SER 4 N -1.20 -0.12 0.31 1.42 0.02 -1.54 0.20 113.55 112.64 1gks h SER 4 Ca -0.11 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1gks h SER 4 Cb 0.82 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1gks h SER 4 CO 0.18 -0.12 -0.15 0.40 -1.14 0.00 0.00 176.83 176.00 1gks h ILE 5 N 0.19 0.71 -0.47 3.27 2.04 -0.80 0.14 117.51 122.59 1gks h ILE 5 Ca 0.45 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 66.14 1gks h ILE 5 Cb 0.82 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1gks h ILE 5 CO -0.61 0.04 0.30 0.22 0.00 0.00 0.00 178.15 178.11 1gks h TYR 6 N -0.51 0.57 0.10 1.37 5.03 0.32 0.13 116.97 123.98 1gks h TYR 6 Ca -0.04 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1gks h TYR 6 Cb 0.38 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.48 1gks h TYR 6 CO -0.03 0.35 -0.05 0.82 -1.32 0.00 0.00 178.16 177.93 1gks h ILE 7 N 0.61 1.09 0.00 1.81 1.08 -0.54 -2.96 117.51 118.60 1gks h ILE 7 Ca 0.18 -1.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.39 1gks h ILE 7 Cb -0.04 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 1gks h ILE 7 CO -0.06 0.28 -0.29 -0.46 -0.69 0.00 0.00 178.15 176.93 1gks n ASN 8 N -4.87 1.46 0.08 1.72 0.23 0.26 -4.55 115.26 109.58 1gks n ASN 8 Ca -0.08 -0.02 -0.10 0.00 -0.53 0.00 0.00 54.58 53.85 1gks n ASN 8 Cb 0.28 0.34 -0.08 0.00 -2.08 0.00 0.00 39.78 38.24 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 0.16 -2.05 4.83 0.00 -0.23 -3.46 103.07 102.32 1gks h GLY 9 Ca 0.00 -0.36 -0.49 0.00 0.00 0.00 0.00 47.33 46.48 1gks h GLY 9 CO 0.00 0.31 0.41 -0.51 0.00 0.00 0.00 176.54 176.76 1gks s THR 10 N -2.90 3.37 -0.19 4.70 -4.23 0.40 -4.99 115.64 111.80 1gks s THR 10 Ca -0.02 0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1gks s THR 10 Cb 0.09 -3.33 0.05 0.00 1.34 0.00 0.00 72.50 70.66 1gks s THR 10 CO 0.84 -0.20 -0.01 0.00 -0.54 0.00 0.00 174.62 174.70 1gks s ALA 11 N -1.88 1.38 0.86 3.99 0.00 -1.26 -2.20 121.76 122.65 1gks s ALA 11 Ca 0.71 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 1gks s ALA 11 Cb -0.21 -1.21 0.11 0.00 0.00 0.00 0.00 23.12 21.81 1gks s ALA 11 CO 0.26 -1.04 1.15 -1.25 0.00 0.00 0.00 175.76 174.88 1gks s PRO 12 N 1.68 1.41 -0.01 0.00 0.04 -1.26 -4.79 135.00 132.07 1gks s PRO 12 Ca -0.02 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.24 1gks s PRO 12 Cb -0.17 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1gks s PRO 12 CO -0.07 -2.33 1.71 0.95 0.04 0.00 0.00 177.00 177.30 1gks s THR 13 N -2.60 3.37 0.21 1.26 -4.23 -0.93 -4.91 115.64 107.81 1gks s THR 13 Ca 0.67 0.53 -0.10 0.00 -1.18 0.00 0.00 61.69 61.61 1gks s THR 13 Cb -0.23 -3.34 0.17 0.00 1.34 0.00 0.00 72.50 70.44 1gks s THR 13 CO 0.56 -0.04 1.69 0.00 -0.54 0.00 0.00 174.62 176.29 1gks h SER 15 N 0.23 -1.16 -1.16 0.00 4.64 -1.76 0.72 113.55 115.06 1gks h SER 15 Ca 0.32 0.29 0.33 0.00 -0.47 0.00 0.00 61.79 62.25 1gks h SER 15 Cb 0.50 0.66 -0.08 0.00 -0.31 0.00 0.00 62.40 63.16 1gks h SER 15 CO -0.43 -0.30 0.78 0.28 -0.87 0.00 0.00 176.83 176.29 1gks h SER 16 N -0.02 0.23 0.00 4.97 0.02 -1.72 0.18 113.55 117.21 1gks h SER 16 Ca 0.37 0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 61.19 1gks h SER 16 Cb 0.62 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1gks h SER 16 CO -0.93 0.02 -1.57 0.00 -1.14 0.00 0.00 176.83 173.21 1gks h HIS 18 N -1.00 0.99 -0.34 0.00 3.86 -0.79 0.42 115.15 118.31 1gks h HIS 18 Ca -0.27 -0.33 -0.10 0.00 -1.16 0.00 0.00 60.37 58.51 1gks h HIS 18 Cb 1.22 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 1gks h HIS 18 CO -0.28 1.13 -0.16 0.22 0.86 0.00 0.00 177.93 179.70 1gks h ASP 19 N 0.64 0.73 -0.34 2.45 1.82 -0.83 -3.16 116.42 117.72 1gks h ASP 19 Ca 0.03 -0.41 -0.14 0.00 -0.39 0.00 0.00 57.03 56.12 1gks h ASP 19 Cb 1.07 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1gks h ASP 19 CO 0.11 0.97 -0.32 0.03 -1.61 0.00 0.00 179.24 178.42 1gks h ARG 20 N 0.48 0.87 -0.26 0.28 -0.00 -1.54 -3.47 114.38 110.75 1gks h ARG 20 Ca 0.07 -0.42 0.00 0.00 -0.50 0.00 0.00 59.98 59.14 1gks h ARG 20 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.66 1gks h ARG 20 CO 0.05 1.06 0.00 0.41 0.00 0.00 0.00 179.97 181.49 1gks n GLY 21 N -0.00 1.06 3.68 0.04 0.00 0.13 -5.03 105.19 105.07 1gks n GLY 21 Ca -0.01 -0.41 -0.46 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.95 0.03 -2.59 1.61 0.31 0.13 -0.88 118.33 114.98 1gks n VAL 22 Ca 0.00 -0.01 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 1gks n VAL 22 Cb 0.26 -1.62 -0.00 0.00 -0.91 0.00 0.00 33.84 31.57 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 3.67 -0.83 -1.66 3.52 0.00 -1.26 -0.62 120.51 123.34 1gks n ALA 23 Ca 0.17 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1gks n ALA 23 Cb 0.30 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.88 0.63 3.65 0.00 0.00 -0.06 -4.97 105.19 103.56 1gks n GLY 24 Ca -0.13 -0.56 -0.47 0.00 0.00 0.00 0.00 46.02 44.87 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 0.07 0.71 -1.65 4.61 0.00 0.21 -4.82 120.51 119.65 1gks n ALA 25 Ca -0.10 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 1gks n ALA 25 Cb 0.43 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 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 0.39 3.83 0.79 0.00 0.04 -1.26 -4.54 135.00 134.24 1gks s PRO 26 Ca 0.77 2.44 -0.09 0.00 0.04 0.00 0.00 61.00 64.16 1gks s PRO 26 Cb -0.73 -4.23 0.11 0.00 0.04 0.00 0.00 34.50 29.69 1gks s PRO 26 CO 0.44 -1.31 1.11 -1.21 0.04 0.00 0.00 177.00 176.06 1gks s GLU 27 N 5.06 1.65 0.81 4.56 8.01 -1.26 -4.87 118.70 132.65 1gks s GLU 27 Ca 0.92 -0.42 -0.11 0.00 0.01 0.00 0.00 54.97 55.38 1gks s GLU 27 Cb -0.40 -2.09 0.08 0.00 -4.31 0.00 0.00 34.13 27.41 1gks s GLU 27 CO 0.40 -1.64 1.09 -0.51 0.01 0.00 0.00 175.26 174.61 1gks s LEU 28 N -5.44 2.79 -1.00 1.80 2.01 -1.26 -3.76 118.68 113.81 1gks s LEU 28 Ca 0.65 1.70 -0.03 0.00 0.01 0.00 0.00 54.13 56.46 1gks s LEU 28 Cb -0.08 -4.32 0.03 0.00 0.01 0.00 0.00 46.19 41.83 1gks s LEU 28 CO 0.47 -2.20 0.18 0.59 1.01 0.00 0.00 176.35 176.40 1gks n ASN 29 N -3.62 -3.45 -3.01 2.29 4.13 -1.23 -4.89 115.26 105.47 1gks n ASN 29 Ca 0.08 0.02 -0.23 0.00 1.68 0.00 0.00 54.58 56.13 1gks n ASN 29 Cb 0.54 -2.93 -0.03 0.00 -1.54 0.00 0.00 39.78 35.82 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gks n ALA 30 N -2.73 3.71 -0.34 5.41 0.00 -1.25 -4.95 120.51 120.37 1gks n ALA 30 Ca -0.08 -4.20 0.16 0.00 0.00 0.00 0.00 53.44 49.32 1gks n ALA 30 Cb 0.57 -0.80 0.32 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.06 -0.08 -0.29 0.00 -0.02 -1.26 -0.41 135.00 132.89 1gks n PRO 31 Ca 0.29 1.45 0.12 0.00 -2.02 0.00 0.00 63.50 63.33 1gks n PRO 31 Cb 0.50 -2.34 0.27 0.00 -0.02 0.00 0.00 33.50 31.91 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 0.24 0.00 -0.52 3.07 -1.99 0.29 114.58 115.67 1gks h GLU 32 Ca 0.62 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1gks h GLU 32 Cb 1.32 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1gks h GLU 32 CO -0.90 0.16 0.00 -0.44 -1.40 0.00 0.00 179.01 176.43 1gks h ASP 33 N 0.25 0.00 0.00 1.42 5.19 -1.12 -3.16 116.42 119.00 1gks h ASP 33 Ca 0.53 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1gks h ASP 33 Cb 1.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1gks h ASP 33 CO -0.61 0.00 -1.58 0.79 -3.12 0.00 0.00 179.24 174.72 1gks n TRP 34 N -2.80 0.00 -0.29 4.55 7.02 0.55 -4.71 117.44 121.76 1gks n TRP 34 Ca 0.02 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.63 1gks n TRP 34 Cb 0.34 -0.31 0.26 0.00 -2.42 0.00 0.00 31.31 29.18 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 -1.95 0.45 0.55 6.99 0.00 0.70 -0.28 120.51 126.97 1gks n ALA 35 Ca -0.02 0.89 0.11 0.00 0.00 0.00 0.00 53.44 54.43 1gks n ALA 35 Cb 0.40 -0.67 0.06 0.00 0.00 0.00 0.00 19.45 19.24 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 -5.18 0.63 -4.68 0.00 9.92 -1.26 -4.89 116.55 111.08 1gks n ASP 36 Ca 0.20 -0.10 -0.42 0.00 -0.53 0.00 0.00 54.79 53.95 1gks n ASP 36 Cb 0.67 0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 41.74 1gks n ASP 36 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1gks s ARG 37 N -3.20 4.39 -0.14 -1.24 0.52 0.61 -4.98 118.95 114.91 1gks s ARG 37 Ca 0.04 1.28 -0.36 0.00 -0.52 0.00 0.00 55.73 56.17 1gks s ARG 37 Cb 0.14 -3.55 -0.13 0.00 0.52 0.00 0.00 34.95 31.92 1gks s ARG 37 CO 0.78 -0.32 1.80 -2.30 0.02 0.00 0.00 175.30 175.28 1gks n PRO 38 N 5.07 1.77 -0.04 3.54 -0.02 -1.26 -4.84 135.00 139.23 1gks n PRO 38 Ca 0.07 0.65 0.19 0.00 -2.02 0.00 0.00 63.50 62.39 1gks n PRO 38 Cb 0.49 -2.43 0.64 0.00 -0.02 0.00 0.00 33.50 32.18 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 8.16 0.10 -0.74 2.55 0.02 -1.94 -3.42 113.55 118.29 1gks h SER 39 Ca -0.48 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.95 1gks h SER 39 Cb 1.29 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 1gks h SER 39 CO 0.94 0.05 1.64 -1.20 -1.14 0.00 0.00 176.83 177.13 1gks n SER 40 N -4.40 1.32 -0.29 3.07 7.64 -1.26 -4.84 113.62 114.86 1gks n SER 40 Ca 0.11 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.08 1gks n SER 40 Cb 0.58 -1.21 0.25 0.00 -1.01 0.00 0.00 64.21 62.82 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 7.70 0.60 -0.13 0.44 2.07 -1.99 0.14 116.25 125.08 1gks h VAL 41 Ca -0.15 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1gks h VAL 41 Cb 1.30 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1gks h VAL 41 CO 1.23 0.09 0.12 -0.78 0.02 0.00 0.00 177.57 178.25 1gks h ASP 42 N 0.48 0.00 0.00 0.57 3.58 -1.96 0.12 116.42 119.22 1gks h ASP 42 Ca 0.49 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.86 1gks h ASP 42 Cb 0.83 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1gks h ASP 42 CO -0.45 0.00 -0.56 -0.33 -2.88 0.00 0.00 179.24 175.02 1gks h GLU 43 N 0.00 0.00 -0.96 0.28 5.08 -1.13 -3.38 114.58 114.47 1gks h GLU 43 Ca 0.06 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.57 1gks h GLU 43 Cb 0.29 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.45 1gks h GLU 43 CO -0.00 0.59 0.57 -0.07 -1.00 0.00 0.00 179.01 179.11 1gks h LEU 44 N -1.00 0.78 -2.13 1.33 3.38 -0.86 0.61 115.31 117.43 1gks h LEU 44 Ca -0.12 0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1gks h LEU 44 Cb 0.82 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1gks h LEU 44 CO -0.07 0.35 0.07 1.62 0.09 0.00 0.00 178.44 180.50 1gks h VAL 45 N 0.82 0.81 -0.22 1.22 3.04 -0.95 -0.79 116.25 120.18 1gks h VAL 45 Ca 0.51 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.19 1gks h VAL 45 Cb 0.66 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 1gks h VAL 45 CO -0.33 0.00 0.10 -0.33 -1.01 0.00 0.00 177.57 176.00 1gks h GLU 46 N 0.00 0.32 -0.42 4.17 4.39 -1.04 0.23 114.58 122.23 1gks h GLU 46 Ca 0.04 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.76 1gks h GLU 46 Cb 0.18 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 1gks h GLU 46 CO -0.00 0.35 0.05 0.77 -1.16 0.00 0.00 179.01 179.02 1gks h SER 47 N 0.21 -0.06 -0.42 1.42 0.02 -1.21 0.13 113.55 113.65 1gks h SER 47 Ca 0.07 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1gks h SER 47 Cb 0.14 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1gks h SER 47 CO -0.01 0.01 0.22 0.74 -1.14 0.00 0.00 176.83 176.64 1gks h THR 48 N 0.17 1.17 0.31 -2.27 2.02 -1.03 0.34 112.91 113.62 1gks h THR 48 Ca 0.20 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1gks h THR 48 Cb 0.27 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1gks h THR 48 CO -0.29 0.18 -0.15 -0.07 0.37 0.00 0.00 175.52 175.55 1gks h LEU 49 N 0.54 -0.36 -0.16 2.58 3.38 0.10 -0.87 115.31 120.52 1gks h LEU 49 Ca 0.15 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1gks h LEU 49 Cb 0.09 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1gks h LEU 49 CO -0.02 -0.17 -0.13 0.00 0.09 0.00 0.00 178.44 178.21 1gks h ALA 50 N 0.13 0.92 0.00 1.53 0.00 -0.77 -0.14 119.26 120.93 1gks h ALA 50 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1gks h ALA 50 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gks h ALA 50 CO 0.07 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1gks n GLY 51 N 1.01 0.76 3.36 0.00 0.00 0.12 -4.21 105.19 106.23 1gks n GLY 51 Ca 0.03 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.74 0.57 6.70 1.61 2.20 -0.36 -4.75 119.74 122.98 1gks s LYS 52 Ca 0.00 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1gks s LYS 52 Cb 0.00 0.69 0.00 0.00 -1.51 0.00 0.00 37.83 37.01 1gks s LYS 52 CO 0.00 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 1gks n GLY 53 N 5.44 2.91 0.14 5.54 0.00 -1.26 -0.55 105.19 117.41 1gks n GLY 53 Ca -0.06 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.95 0.82 -2.15 4.61 0.00 -1.97 -3.45 119.26 116.17 1gks h ALA 54 Ca 0.00 -0.54 -0.56 0.00 0.00 0.00 0.00 54.91 53.81 1gks h ALA 54 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gks h ALA 54 CO 0.00 0.74 1.28 1.41 0.00 0.00 0.00 179.25 182.69 1gks s MET 55 N -3.34 3.72 0.04 0.00 0.00 0.29 -4.95 119.30 115.06 1gks s MET 55 Ca 0.00 2.15 -0.30 0.00 0.00 0.00 0.00 55.69 57.55 1gks s MET 55 Cb 0.11 -4.19 -0.04 0.00 0.00 0.00 0.00 34.83 30.70 1gks s MET 55 CO 0.75 -1.41 1.08 -1.25 0.00 0.00 0.00 175.02 174.18 1gks s PRO 56 N 5.11 4.51 -0.47 4.11 0.04 -1.26 -1.23 135.00 145.82 1gks s PRO 56 Ca 0.87 1.59 -0.44 0.00 0.04 0.00 0.00 61.00 63.06 1gks s PRO 56 Cb -0.34 -3.40 -0.18 0.00 0.04 0.00 0.00 34.50 30.61 1gks s PRO 56 CO 0.36 -0.14 1.91 0.00 0.04 0.00 0.00 177.00 179.17 1gks n ALA 57 N 3.84 -0.34 0.70 8.56 0.00 -1.26 -4.67 120.51 127.34 1gks n ALA 57 Ca 0.07 0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.94 1gks n ALA 57 Cb 0.49 -2.07 0.36 0.00 0.00 0.00 0.00 19.45 18.23 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 6.18 0.60 -1.49 0.00 4.02 -0.34 -4.80 117.16 121.33 1gks n TYR 58 Ca 0.42 0.17 -0.53 0.00 -0.01 0.00 0.00 57.90 57.95 1gks n TYR 58 Cb -0.01 -0.74 -0.08 0.00 -0.02 0.00 0.00 39.34 38.50 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 -2.03 2.07 0.00 7.72 2.03 -0.19 -0.08 116.55 126.06 1gks n ASP 59 Ca 0.05 0.63 0.00 0.00 0.52 0.00 0.00 54.79 55.99 1gks n ASP 59 Cb 0.41 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 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 6.02 2.99 0.12 0.27 0.00 -1.26 -4.82 105.19 108.51 1gks n GLY 60 Ca 0.39 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1gks n GLY 60 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1gks h ARG 61 N 0.00 0.31 -4.99 1.61 2.43 -0.80 -3.44 114.38 109.50 1gks h ARG 61 Ca 0.00 -0.48 -0.50 0.00 -0.81 0.00 0.00 59.98 58.19 1gks h ARG 61 Cb 0.00 0.17 -0.31 0.00 -0.42 0.00 0.00 29.97 29.41 1gks h ARG 61 CO 0.00 1.21 -0.81 0.00 -1.51 0.00 0.00 179.97 178.85 1gks s ALA 62 N -2.58 1.21 0.38 2.80 0.00 -0.16 -4.92 121.76 118.48 1gks s ALA 62 Ca -0.14 -0.52 -0.24 0.00 0.00 0.00 0.00 51.96 51.06 1gks s ALA 62 Cb 0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 23.12 22.62 1gks s ALA 62 CO 0.83 0.22 0.96 0.34 0.00 0.00 0.00 175.76 178.10 1gks s ASP 63 N 0.08 7.11 0.18 0.00 2.15 -1.26 -4.35 116.67 120.59 1gks s ASP 63 Ca -0.03 1.79 -0.01 0.00 0.43 0.00 0.00 52.55 54.73 1gks s ASP 63 Cb -0.10 -2.56 0.40 0.00 -0.30 0.00 0.00 42.92 40.35 1gks s ASP 63 CO 0.01 -0.23 0.95 -1.14 -0.17 0.00 0.00 175.17 174.59 1gks n ARG 64 N -0.00 -0.05 -0.12 4.34 0.63 -1.26 0.44 116.66 120.64 1gks n ARG 64 Ca 0.04 0.93 -0.09 0.00 -0.92 0.00 0.00 57.85 57.82 1gks n ARG 64 Cb 0.52 -1.44 -0.01 0.00 0.45 0.00 0.00 32.46 31.98 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 0.51 0.58 -0.14 4.39 -1.99 0.12 114.58 118.05 1gks h GLU 65 Ca 0.34 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.97 1gks h GLU 65 Cb 0.64 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1gks h GLU 65 CO -0.59 0.40 -0.42 -0.44 -1.16 0.00 0.00 179.01 176.79 1gks h ASP 66 N 0.49 -1.08 -0.47 1.42 3.32 -0.37 -3.04 116.42 116.69 1gks h ASP 66 Ca 0.13 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.32 1gks h ASP 66 Cb 0.02 0.33 -0.09 0.00 0.22 0.00 0.00 39.33 39.81 1gks h ASP 66 CO -0.02 -0.62 -0.49 -0.07 -1.72 0.00 0.00 179.24 176.32 1gks h LEU 67 N -0.96 -1.63 -0.90 1.55 3.38 -0.99 -2.14 115.31 113.61 1gks h LEU 67 Ca -0.07 0.24 0.17 0.00 0.09 0.00 0.00 57.88 58.31 1gks h LEU 67 Cb 0.80 0.70 -0.16 0.00 0.09 0.00 0.00 40.66 42.09 1gks h LEU 67 CO 0.03 -0.37 -0.29 0.58 0.09 0.00 0.00 178.44 178.48 1gks h VAL 68 N -0.32 0.07 -0.92 1.22 2.07 -0.69 0.32 116.25 118.00 1gks h VAL 68 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1gks h VAL 68 Cb 0.58 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1gks h VAL 68 CO -0.62 0.00 0.60 0.11 0.02 0.00 0.00 177.57 177.68 1gks h LYS 69 N -0.02 1.05 -0.06 1.57 1.79 -1.27 0.70 116.57 120.33 1gks h LYS 69 Ca 0.39 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.76 1gks h LYS 69 Cb 0.64 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1gks h LYS 69 CO -0.93 0.69 -0.09 0.00 -1.08 0.00 0.00 179.45 178.05 1gks h ALA 70 N 1.49 0.10 -0.18 3.86 0.00 -0.37 -2.70 119.26 121.45 1gks h ALA 70 Ca 0.38 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1gks h ALA 70 Cb 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1gks h ALA 70 CO -0.14 -0.07 0.04 0.82 0.00 0.00 0.00 179.25 179.90 1gks h ILE 71 N -0.29 0.93 -0.53 0.00 2.04 -0.46 0.14 117.51 119.33 1gks h ILE 71 Ca 0.01 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1gks h ILE 71 Cb 0.63 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1gks h ILE 71 CO 0.02 0.02 0.30 1.05 0.00 0.00 0.00 178.15 179.54 1gks h GLU 72 N 0.11 0.74 0.15 2.37 4.11 -0.95 0.12 114.58 121.24 1gks h GLU 72 Ca 0.08 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1gks h GLU 72 Cb 0.07 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1gks h GLU 72 CO -0.10 0.57 -0.20 -0.92 0.07 0.00 0.00 179.01 178.42 1gks h TYR 73 N 0.71 -0.53 -0.44 2.06 3.20 -1.13 0.42 116.97 121.26 1gks h TYR 73 Ca 0.19 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.15 1gks h TYR 73 Cb 0.04 0.21 -0.10 0.00 1.54 0.00 0.00 36.73 38.43 1gks h TYR 73 CO -0.02 -0.30 -0.29 1.98 -1.64 0.00 0.00 178.16 177.90 1gks h MET 74 N -0.41 -0.19 -0.73 1.82 4.05 -0.38 0.32 114.93 119.40 1gks h MET 74 Ca 0.01 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1gks h MET 74 Cb 0.41 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 1gks h MET 74 CO -0.08 -0.13 0.40 -0.07 0.23 0.00 0.00 176.91 177.26 1gks h LEU 75 N -0.20 0.90 -3.31 3.39 3.38 -0.72 -3.07 115.31 115.67 1gks h LEU 75 Ca 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1gks h LEU 75 Cb 0.52 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1gks h LEU 75 CO -0.56 0.72 0.00 -1.20 0.09 0.00 0.00 178.44 177.50 1gks n SER 76 N -4.36 3.57 0.00 -0.43 7.64 0.12 -1.88 113.62 118.27 1gks n SER 76 Ca 0.07 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1gks n SER 76 Cb 0.10 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 1.65 0.00 1.76 0.44 -2.24 -1.16 -4.99 114.28 109.75 1gks n THR 77 Ca 0.00 -0.19 0.15 0.00 -2.27 0.00 0.00 64.05 61.74 1gks n THR 77 Cb 0.34 0.78 0.75 0.00 -2.10 0.00 0.00 70.33 70.10 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68