#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 0.30 -0.16 0.44 0.00 -2.02 -2.30 103.07 99.33 1gks h GLY 2 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.50 1gks h GLY 2 CO 0.00 -0.08 -0.13 0.83 0.00 0.00 0.00 176.54 177.16 1gks h GLU 3 N 0.08 0.01 -0.99 4.80 3.07 -1.96 -0.84 114.58 118.75 1gks h GLU 3 Ca 0.16 -0.00 0.26 0.00 -0.50 0.00 0.00 59.36 59.28 1gks h GLU 3 Cb 0.22 -0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.99 1gks h GLU 3 CO -0.28 0.01 0.57 0.77 -1.40 0.00 0.00 179.01 178.68 1gks h SER 4 N 0.01 0.59 -0.16 1.42 0.02 -1.83 0.13 113.55 113.73 1gks h SER 4 Ca 0.29 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.41 1gks h SER 4 Cb 0.44 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1gks h SER 4 CO -0.59 0.03 0.03 0.40 -1.14 0.00 0.00 176.83 175.55 1gks h ILE 5 N 0.49 0.93 -0.26 3.27 2.04 -1.16 0.26 117.51 123.08 1gks h ILE 5 Ca 0.66 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 66.42 1gks h ILE 5 Cb 1.33 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1gks h ILE 5 CO -0.52 0.02 -0.11 0.22 0.00 0.00 0.00 178.15 177.76 1gks h TYR 6 N 0.10 0.61 0.05 1.37 5.03 -0.90 -0.38 116.97 122.85 1gks h TYR 6 Ca 0.07 -0.15 -0.00 0.00 2.58 0.00 0.00 58.73 61.23 1gks h TYR 6 Cb 0.06 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1gks h TYR 6 CO -0.13 0.78 -0.03 0.82 -1.32 0.00 0.00 178.16 178.28 1gks h ILE 7 N 0.27 1.24 0.00 1.81 2.04 -0.66 -2.19 117.51 120.03 1gks h ILE 7 Ca 0.06 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1gks h ILE 7 Cb 0.60 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1gks h ILE 7 CO 0.03 0.26 0.00 0.59 0.00 0.00 0.00 178.15 179.03 1gks n ASN 8 N -4.90 0.00 -0.00 1.72 5.03 0.30 -4.62 115.26 112.79 1gks n ASN 8 Ca -0.08 -0.03 -0.18 0.00 0.87 0.00 0.00 54.58 55.16 1gks n ASN 8 Cb 0.24 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.92 1gks n ASN 8 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1gks h GLY 9 N 0.00 0.84 -1.43 7.41 0.00 -0.16 -3.45 103.07 106.27 1gks h GLY 9 Ca 0.00 -1.27 -0.51 0.00 0.00 0.00 0.00 47.33 45.55 1gks h GLY 9 CO 0.00 1.13 0.35 -0.51 0.00 0.00 0.00 176.54 177.52 1gks s THR 10 N -3.62 3.68 -0.17 4.70 -4.23 -0.19 -5.00 115.64 110.81 1gks s THR 10 Ca -0.10 0.61 -0.04 0.00 -1.18 0.00 0.00 61.69 60.97 1gks s THR 10 Cb 0.08 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.79 1gks s THR 10 CO 0.91 -0.65 0.16 0.00 -0.54 0.00 0.00 174.62 174.50 1gks s ALA 11 N -2.82 0.02 0.64 3.99 0.00 -1.26 -2.66 121.76 119.66 1gks s ALA 11 Ca 0.61 0.09 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 1gks s ALA 11 Cb -0.16 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 1gks s ALA 11 CO 0.51 -1.07 0.69 -2.30 0.00 0.00 0.00 175.76 173.58 1gks n PRO 12 N 5.30 0.55 -2.06 0.00 -0.02 -1.26 -4.86 135.00 132.66 1gks n PRO 12 Ca -0.06 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 1gks n PRO 12 Cb 0.49 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.73 2.79 0.28 3.45 -4.23 -1.09 -4.88 115.64 110.24 1gks s THR 13 Ca 0.70 0.65 0.02 0.00 -1.18 0.00 0.00 61.69 61.89 1gks s THR 13 Cb -0.40 -3.42 0.27 0.00 1.34 0.00 0.00 72.50 70.30 1gks s THR 13 CO 0.53 0.10 1.76 0.00 -0.54 0.00 0.00 174.62 176.47 1gks h SER 15 N 0.67 0.55 -1.04 0.00 4.64 -1.65 -0.52 113.55 116.20 1gks h SER 15 Ca 0.52 0.07 0.33 0.00 -0.47 0.00 0.00 61.79 62.25 1gks h SER 15 Cb 0.80 -0.03 -0.14 0.00 -0.31 0.00 0.00 62.40 62.72 1gks h SER 15 CO -0.39 0.18 0.61 0.28 -0.87 0.00 0.00 176.83 176.65 1gks h SER 16 N 0.53 0.48 0.00 4.97 0.02 -1.13 0.32 113.55 118.74 1gks h SER 16 Ca 0.54 0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 61.56 1gks h SER 16 Cb 1.17 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 1gks h SER 16 CO -0.28 -0.13 -1.15 0.00 -1.14 0.00 0.00 176.83 174.14 1gks h HIS 18 N -0.65 0.00 -0.00 0.00 3.86 -1.08 0.32 115.15 117.60 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 0.93 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1gks h HIS 18 CO -0.20 0.09 -0.03 -3.47 0.86 0.00 0.00 177.93 175.19 1gks n ASP 19 N -3.97 0.47 0.00 2.45 2.03 0.10 -3.75 116.55 113.87 1gks n ASP 19 Ca -0.02 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1gks n ASP 19 Cb 0.18 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1gks n ASP 19 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1gks n ARG 20 N -0.73 2.72 -1.84 -0.67 3.00 -0.40 -5.04 116.66 113.70 1gks n ARG 20 Ca 0.20 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.98 1gks n ARG 20 Cb 0.22 -0.70 -0.01 0.00 0.00 0.00 0.00 32.46 31.97 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 1.36 0.33 3.77 -0.13 0.00 0.10 -4.99 105.19 105.63 1gks n GLY 21 Ca 0.00 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.26 2.09 -1.17 1.61 0.11 -1.13 -1.34 120.40 118.30 1gks s VAL 22 Ca 0.00 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1gks s VAL 22 Cb 0.00 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1gks s VAL 22 CO 0.00 0.02 0.00 0.00 -3.33 0.00 0.00 175.10 171.79 1gks n ALA 23 N 0.09 -0.64 -1.74 1.54 0.00 -1.26 -0.80 120.51 117.71 1gks n ALA 23 Ca 0.03 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1gks n ALA 23 Cb 0.41 -1.52 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.69 0.48 3.69 0.00 0.00 -0.45 -4.98 105.19 103.23 1gks n GLY 24 Ca -0.15 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.24 2.05 -1.91 4.61 0.00 0.02 -4.88 120.51 120.16 1gks n ALA 25 Ca -0.09 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 1gks n ALA 25 Cb 0.44 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 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 1.30 4.19 0.70 0.00 0.04 -1.26 -4.33 135.00 135.64 1gks s PRO 26 Ca 0.78 2.34 0.01 0.00 0.04 0.00 0.00 61.00 64.17 1gks s PRO 26 Cb -0.59 -3.73 0.14 0.00 0.04 0.00 0.00 34.50 30.36 1gks s PRO 26 CO 0.36 -0.78 0.96 0.39 0.04 0.00 0.00 177.00 177.97 1gks n GLU 27 N 6.10 -0.02 -1.41 4.56 1.02 -1.26 -4.84 120.64 124.78 1gks n GLU 27 Ca 0.17 -2.72 -0.31 0.00 -0.02 0.00 0.00 57.16 54.28 1gks n GLU 27 Cb 0.41 -0.61 0.07 0.00 -0.02 0.00 0.00 31.44 31.30 1gks n GLU 27 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1gks s LEU 28 N 0.00 3.10 -0.95 -4.62 2.01 -1.26 -3.81 118.68 113.15 1gks s LEU 28 Ca 0.64 1.76 -0.04 0.00 0.01 0.00 0.00 54.13 56.51 1gks s LEU 28 Cb -0.04 -4.51 0.03 0.00 0.01 0.00 0.00 46.19 41.68 1gks s LEU 28 CO 0.43 -1.79 0.20 0.59 1.01 0.00 0.00 176.35 176.78 1gks n ASN 29 N -3.29 -3.16 -3.10 2.29 5.03 -1.23 -4.89 115.26 106.91 1gks n ASN 29 Ca 0.09 -0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.30 1gks n ASN 29 Cb 0.53 -2.69 -0.04 0.00 -1.02 0.00 0.00 39.78 36.56 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gks n ALA 30 N -2.81 3.43 -0.31 5.41 0.00 -1.25 -4.95 120.51 120.04 1gks n ALA 30 Ca -0.06 -4.12 0.07 0.00 0.00 0.00 0.00 53.44 49.34 1gks n ALA 30 Cb 0.56 -0.83 0.16 0.00 0.00 0.00 0.00 19.45 19.33 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 0.20 -0.08 -0.31 0.00 -0.02 -1.26 -0.27 135.00 133.26 1gks n PRO 31 Ca 0.28 1.33 0.15 0.00 -2.02 0.00 0.00 63.50 63.24 1gks n PRO 31 Cb 0.50 -2.02 0.32 0.00 -0.02 0.00 0.00 33.50 32.29 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 0.21 0.00 -0.52 3.07 -1.99 0.27 114.58 115.62 1gks h GLU 32 Ca 0.44 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.25 1gks h GLU 32 Cb 0.75 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 1gks h GLU 32 CO -0.87 0.14 -0.21 -0.44 -1.40 0.00 0.00 179.01 176.23 1gks h ASP 33 N 0.21 0.00 0.00 1.42 5.19 -1.02 -3.11 116.42 119.12 1gks h ASP 33 Ca 0.59 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.00 1gks h ASP 33 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1gks h ASP 33 CO -0.66 0.21 -1.67 0.79 -3.12 0.00 0.00 179.24 174.78 1gks n TRP 34 N -3.85 0.00 -0.29 4.55 7.02 0.55 -4.69 117.44 120.73 1gks n TRP 34 Ca -0.02 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.58 1gks n TRP 34 Cb 0.30 -0.35 0.23 0.00 -2.42 0.00 0.00 31.31 29.07 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 -2.02 0.40 1.00 6.99 0.00 0.65 -0.38 120.51 127.15 1gks n ALA 35 Ca -0.02 0.90 0.11 0.00 0.00 0.00 0.00 53.44 54.43 1gks n ALA 35 Cb 0.44 -0.64 0.03 0.00 0.00 0.00 0.00 19.45 19.28 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 -5.22 0.82 -4.72 0.00 9.92 -1.26 -4.93 116.55 111.16 1gks n ASP 36 Ca 0.19 -0.71 -0.41 0.00 -0.53 0.00 0.00 54.79 53.32 1gks n ASP 36 Cb 0.61 0.69 -0.04 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 -2.98 4.57 -0.35 -1.24 0.52 0.49 -4.96 118.95 115.01 1gks s ARG 37 Ca 0.10 1.33 -0.35 0.00 -0.52 0.00 0.00 55.73 56.29 1gks s ARG 37 Cb 0.17 -3.43 -0.11 0.00 0.52 0.00 0.00 34.95 32.10 1gks s ARG 37 CO 0.79 0.06 2.20 -2.30 0.02 0.00 0.00 175.30 176.07 1gks n PRO 38 N 3.51 1.13 0.18 3.54 -0.02 -1.26 -4.81 135.00 137.26 1gks n PRO 38 Ca 0.03 0.30 0.17 0.00 -2.02 0.00 0.00 63.50 61.99 1gks n PRO 38 Cb 0.51 -2.52 0.80 0.00 -0.02 0.00 0.00 33.50 32.27 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 12.67 0.00 -0.68 2.55 0.02 -1.93 -3.41 113.55 122.76 1gks h SER 39 Ca -0.28 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.23 1gks h SER 39 Cb 1.31 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 1gks h SER 39 CO 1.02 0.00 1.63 -1.20 -1.14 0.00 0.00 176.83 177.13 1gks n SER 40 N -3.89 1.10 -0.34 3.07 7.64 -1.26 -4.82 113.62 115.12 1gks n SER 40 Ca 0.02 -0.26 0.20 0.00 1.01 0.00 0.00 58.87 59.85 1gks n SER 40 Cb 0.35 -1.21 0.44 0.00 -1.01 0.00 0.00 64.21 62.77 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 7.80 0.52 -0.66 0.44 2.07 -1.99 0.23 116.25 124.65 1gks h VAL 41 Ca -0.12 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1gks h VAL 41 Cb 1.26 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1gks h VAL 41 CO 1.29 0.09 0.37 -0.78 0.02 0.00 0.00 177.57 178.56 1gks h ASP 42 N 0.50 0.56 -0.18 0.57 3.58 -1.95 0.18 116.42 119.68 1gks h ASP 42 Ca 0.63 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 58.05 1gks h ASP 42 Cb 1.37 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.33 1gks h ASP 42 CO -0.41 0.37 -0.11 -0.33 -2.88 0.00 0.00 179.24 175.88 1gks h GLU 43 N 0.70 0.40 -0.63 0.28 5.08 -0.94 -2.61 114.58 116.86 1gks h GLU 43 Ca 0.29 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1gks h GLU 43 Cb 0.16 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1gks h GLU 43 CO -0.17 0.72 0.34 -0.07 -1.00 0.00 0.00 179.01 178.82 1gks h LEU 44 N 0.08 0.48 -0.99 1.33 3.38 -0.64 0.28 115.31 119.24 1gks h LEU 44 Ca 0.04 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1gks h LEU 44 Cb 0.61 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1gks h LEU 44 CO 0.03 0.31 -0.02 1.62 0.09 0.00 0.00 178.44 180.47 1gks h VAL 45 N 0.62 1.23 0.12 1.22 3.04 -0.66 -0.70 116.25 121.12 1gks h VAL 45 Ca 0.29 -0.98 0.01 0.00 -1.01 0.00 0.00 66.70 65.01 1gks h VAL 45 Cb 0.20 0.93 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 1gks h VAL 45 CO -0.19 0.34 -0.16 -0.08 -1.01 0.00 0.00 177.57 176.47 1gks h GLU 46 N 0.66 -0.31 -0.82 4.17 4.57 -0.71 0.32 114.58 122.46 1gks h GLU 46 Ca 0.13 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.49 1gks h GLU 46 Cb 0.44 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.00 1gks h GLU 46 CO 0.02 -0.21 0.38 0.77 -1.18 0.00 0.00 179.01 178.79 1gks h SER 47 N -0.32 0.40 -0.26 1.04 0.02 -0.58 0.29 113.55 114.14 1gks h SER 47 Ca 0.01 0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1gks h SER 47 Cb 0.32 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1gks h SER 47 CO -0.07 0.14 -0.19 0.74 -1.14 0.00 0.00 176.83 176.31 1gks h THR 48 N 0.52 1.31 0.24 -2.27 2.02 -0.51 0.24 112.91 114.46 1gks h THR 48 Ca 0.46 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 1gks h THR 48 Cb 0.71 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1gks h THR 48 CO -0.41 0.41 -0.11 -0.07 0.37 0.00 0.00 175.52 175.71 1gks h LEU 49 N 0.31 -0.27 -0.67 2.58 3.38 0.47 -1.87 115.31 119.23 1gks h LEU 49 Ca 0.05 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1gks h LEU 49 Cb 0.73 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1gks h LEU 49 CO 0.05 -0.14 -0.35 0.00 0.09 0.00 0.00 178.44 178.09 1gks h ALA 50 N 0.37 0.85 -1.31 1.53 0.00 -1.04 -0.51 119.26 119.15 1gks h ALA 50 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1gks h ALA 50 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1gks h ALA 50 CO 0.05 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1gks n GLY 51 N -0.07 -0.95 3.79 0.00 0.00 0.68 -4.21 105.19 104.43 1gks n GLY 51 Ca -0.01 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.29 4.29 6.12 1.61 2.20 -0.15 -4.52 119.74 129.00 1gks s LYS 52 Ca 0.00 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1gks s LYS 52 Cb 0.00 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1gks s LYS 52 CO 0.00 0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1gks n GLY 53 N 0.16 1.57 0.80 5.54 0.00 -1.26 -0.75 105.19 111.25 1gks n GLY 53 Ca 0.05 0.39 0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 10.24 2.24 -1.87 4.61 0.00 -1.26 -5.03 120.51 129.43 1gks n ALA 54 Ca 0.00 -1.15 -0.41 0.00 0.00 0.00 0.00 53.44 51.88 1gks n ALA 54 Cb 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.01 4.49 0.34 0.00 1.00 0.07 -4.99 119.30 119.20 1gks s MET 55 Ca 0.29 1.97 -0.29 0.00 0.00 0.00 0.00 55.69 57.66 1gks s MET 55 Cb 0.15 -3.17 -0.11 0.00 0.00 0.00 0.00 34.83 31.70 1gks s MET 55 CO 0.20 -0.04 1.41 -2.14 0.00 0.00 0.00 175.02 174.45 1gks s PRO 56 N -1.01 4.22 -0.12 2.03 0.02 -1.26 -4.36 135.00 134.52 1gks s PRO 56 Ca 0.50 2.40 -0.29 0.00 0.02 0.00 0.00 61.00 63.63 1gks s PRO 56 Cb -0.35 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.09 1gks s PRO 56 CO 0.42 -0.39 2.01 0.00 -0.33 0.00 0.00 177.00 178.72 1gks s ALA 57 N -0.99 3.17 -1.13 -1.55 0.00 -1.26 -4.47 121.76 115.54 1gks s ALA 57 Ca 0.52 0.94 0.29 0.00 0.00 0.00 0.00 51.96 53.72 1gks s ALA 57 Cb -0.43 -3.94 1.26 0.00 0.00 0.00 0.00 23.12 20.01 1gks s ALA 57 CO 0.57 -2.15 1.93 0.66 0.00 0.00 0.00 175.76 176.76 1gks n TYR 58 N 9.43 0.00 -1.51 0.00 4.01 -0.33 -4.66 117.16 124.10 1gks n TYR 58 Ca 0.24 0.00 -0.51 0.00 -0.16 0.00 0.00 57.90 57.47 1gks n TYR 58 Cb 0.43 -0.42 -0.07 0.00 -0.31 0.00 0.00 39.34 38.98 1gks n TYR 58 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1gks n ASP 59 N -1.43 2.38 0.00 7.72 2.03 -0.42 -0.09 116.55 126.75 1gks n ASP 59 Ca 0.09 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1gks n ASP 59 Cb 0.31 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 6.03 2.94 0.15 0.27 0.00 -1.26 -4.80 105.19 108.51 1gks n GLY 60 Ca 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 0.77 0.44 -5.63 1.61 2.43 -0.76 -3.45 114.38 109.78 1gks h ARG 61 Ca 0.00 -0.41 -0.46 0.00 -0.81 0.00 0.00 59.98 58.30 1gks h ARG 61 Cb 0.00 0.10 -0.16 0.00 -0.42 0.00 0.00 29.97 29.49 1gks h ARG 61 CO 0.00 1.06 -0.75 0.00 -1.51 0.00 0.00 179.97 178.76 1gks s ALA 62 N -3.44 1.86 -0.09 2.80 0.00 -0.16 -4.85 121.76 117.88 1gks s ALA 62 Ca -0.13 -1.51 -0.22 0.00 0.00 0.00 0.00 51.96 50.11 1gks s ALA 62 Cb 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1gks s ALA 62 CO 0.82 0.12 0.62 0.34 0.00 0.00 0.00 175.76 177.66 1gks s ASP 63 N -2.88 6.87 0.23 0.00 -1.08 -1.26 -4.66 116.67 113.89 1gks s ASP 63 Ca 0.17 1.05 0.07 0.00 -0.52 0.00 0.00 52.55 53.31 1gks s ASP 63 Cb -0.03 -2.37 0.69 0.00 -1.46 0.00 0.00 42.92 39.75 1gks s ASP 63 CO 0.05 -0.08 1.07 -1.14 0.52 0.00 0.00 175.17 175.59 1gks n ARG 64 N 3.78 -0.05 -0.01 4.34 0.63 -1.26 -0.08 116.66 124.00 1gks n ARG 64 Ca -0.03 0.99 -0.11 0.00 -0.92 0.00 0.00 57.85 57.77 1gks n ARG 64 Cb 0.51 -1.65 -0.05 0.00 0.45 0.00 0.00 32.46 31.72 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 0.15 -0.10 -0.14 4.39 -1.98 0.20 114.58 117.10 1gks h GLU 65 Ca 0.48 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 1gks h GLU 65 Cb 1.14 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1gks h GLU 65 CO -0.59 0.14 0.05 -0.44 -1.16 0.00 0.00 179.01 177.01 1gks h ASP 66 N 0.12 0.13 0.02 1.42 3.32 -0.89 -0.41 116.42 120.13 1gks h ASP 66 Ca 0.04 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.00 1gks h ASP 66 Cb 0.03 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1gks h ASP 66 CO -0.01 0.21 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.17 1gks h LEU 67 N 0.05 -1.47 -0.37 1.55 3.38 -0.99 0.99 115.31 118.45 1gks h LEU 67 Ca 0.04 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.24 1gks h LEU 67 Cb 0.11 0.56 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 1gks h LEU 67 CO -0.00 -0.50 -0.43 0.58 0.09 0.00 0.00 178.44 178.17 1gks h VAL 68 N -0.65 0.11 -0.98 1.22 2.07 -0.46 0.14 116.25 117.71 1gks h VAL 68 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1gks h VAL 68 Cb 0.70 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1gks h VAL 68 CO -0.33 0.00 0.63 0.11 0.02 0.00 0.00 177.57 178.00 1gks h LYS 69 N -0.35 1.10 -0.51 1.57 1.57 -0.68 0.15 116.57 119.42 1gks h LYS 69 Ca 0.13 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1gks h LYS 69 Cb 0.59 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1gks h LYS 69 CO -0.55 0.72 0.09 0.00 -0.57 0.00 0.00 179.45 179.14 1gks h ALA 70 N 1.45 0.67 -0.26 3.86 0.00 0.49 -0.47 119.26 125.00 1gks h ALA 70 Ca 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1gks h ALA 70 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1gks h ALA 70 CO -0.18 0.40 0.10 0.82 0.00 0.00 0.00 179.25 180.39 1gks h ILE 71 N 0.72 1.18 -0.21 0.00 2.04 0.12 0.75 117.51 122.10 1gks h ILE 71 Ca 0.16 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.53 1gks h ILE 71 Cb 0.39 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1gks h ILE 71 CO 0.01 0.18 -0.14 -0.33 0.00 0.00 0.00 178.15 177.87 1gks h GLU 72 N 0.26 -0.13 0.01 2.37 4.39 -0.54 0.17 114.58 121.11 1gks h GLU 72 Ca 0.09 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.82 1gks h GLU 72 Cb 0.19 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1gks h GLU 72 CO -0.01 -0.09 -0.26 -0.92 -1.16 0.00 0.00 179.01 176.58 1gks h TYR 73 N -0.13 -0.69 -0.06 4.33 3.20 -0.72 0.12 116.97 123.02 1gks h TYR 73 Ca 0.12 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1gks h TYR 73 Cb 0.32 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1gks h TYR 73 CO -0.30 -0.35 -0.54 0.52 -1.64 0.00 0.00 178.16 175.85 1gks h MET 74 N -0.40 -0.61 -0.97 1.82 2.86 -0.24 -1.29 114.93 116.09 1gks h MET 74 Ca 0.06 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.88 1gks h MET 74 Cb 0.48 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.20 1gks h MET 74 CO -0.22 -0.41 0.61 -0.07 1.06 0.00 0.00 176.91 177.88 1gks h LEU 75 N -0.64 0.84 0.00 1.22 4.07 -0.79 -0.84 115.31 119.17 1gks h LEU 75 Ca 0.02 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1gks h LEU 75 Cb 0.71 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1gks h LEU 75 CO -0.39 0.42 0.00 -1.20 -1.08 0.00 0.00 178.44 176.19 1gks n SER 76 N -4.61 0.00 0.05 -0.43 7.64 0.41 -1.11 113.62 115.57 1gks n SER 76 Ca 0.19 0.44 0.12 0.00 1.01 0.00 0.00 58.87 60.63 1gks n SER 76 Cb 0.41 -0.45 0.18 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.45 0.29 1.99 0.44 -2.24 -0.32 -5.06 114.28 107.93 1gks n THR 77 Ca 0.01 -0.23 0.16 0.00 -2.27 0.00 0.00 64.05 61.72 1gks n THR 77 Cb 0.04 -0.06 0.94 0.00 -2.10 0.00 0.00 70.33 69.15 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68