#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 1.64 0.84 0.44 0.00 -1.94 0.80 103.07 104.86 1gks h GLY 2 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1gks h GLY 2 CO 0.00 -0.16 -0.45 0.83 0.00 0.00 0.00 176.54 176.76 1gks h GLU 3 N 0.56 -1.14 -0.47 4.80 3.07 -1.90 0.39 114.58 119.89 1gks h GLU 3 Ca 0.61 0.08 0.10 0.00 -0.50 0.00 0.00 59.36 59.64 1gks h GLU 3 Cb 1.23 0.26 -0.10 0.00 -0.84 0.00 0.00 28.75 29.31 1gks h GLU 3 CO -0.39 -0.76 -0.18 0.77 -1.40 0.00 0.00 179.01 177.04 1gks h SER 4 N -1.19 -0.64 0.62 1.42 0.02 -1.58 0.99 113.55 113.19 1gks h SER 4 Ca -0.12 0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1gks h SER 4 Cb 0.92 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 1gks h SER 4 CO 0.16 -0.22 -0.36 0.40 -1.14 0.00 0.00 176.83 175.67 1gks h ILE 5 N -0.08 0.26 -0.38 3.27 2.04 -0.81 0.14 117.51 121.95 1gks h ILE 5 Ca 0.23 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.12 1gks h ILE 5 Cb 0.43 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1gks h ILE 5 CO -0.53 0.00 0.19 0.22 0.00 0.00 0.00 178.15 178.03 1gks h TYR 6 N -0.92 0.34 -0.02 1.37 5.03 -0.57 0.11 116.97 122.30 1gks h TYR 6 Ca -0.08 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.23 1gks h TYR 6 Cb 0.74 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1gks h TYR 6 CO -0.08 0.18 -0.06 0.82 -1.32 0.00 0.00 178.16 177.70 1gks h ILE 7 N 0.38 1.45 0.00 1.81 2.04 -0.68 -2.64 117.51 119.87 1gks h ILE 7 Ca 0.16 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1gks h ILE 7 Cb 0.07 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1gks h ILE 7 CO -0.12 0.38 0.00 -0.46 0.00 0.00 0.00 178.15 177.96 1gks n ASN 8 N -4.73 0.00 0.06 1.72 0.23 0.17 -4.61 115.26 108.09 1gks n ASN 8 Ca -0.08 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.88 1gks n ASN 8 Cb 0.33 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.90 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 0.04 -1.59 4.83 0.00 0.08 -3.47 103.07 102.97 1gks h GLY 9 Ca 0.00 -0.11 -0.50 0.00 0.00 0.00 0.00 47.33 46.72 1gks h GLY 9 CO 0.00 0.10 0.38 -0.51 0.00 0.00 0.00 176.54 176.50 1gks s THR 10 N -2.69 3.98 -0.15 4.70 -4.23 0.29 -4.98 115.64 112.56 1gks s THR 10 Ca -0.01 0.83 -0.05 0.00 -1.18 0.00 0.00 61.69 61.29 1gks s THR 10 Cb 0.09 -3.43 0.06 0.00 1.34 0.00 0.00 72.50 70.56 1gks s THR 10 CO 0.83 -0.66 0.09 0.00 -0.54 0.00 0.00 174.62 174.34 1gks s ALA 11 N -2.69 0.35 0.66 3.99 0.00 -1.26 -2.58 121.76 120.22 1gks s ALA 11 Ca 0.61 -0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 1gks s ALA 11 Cb -0.15 -0.99 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 1gks s ALA 11 CO 0.43 -1.07 1.27 -1.25 0.00 0.00 0.00 175.76 175.13 1gks s PRO 12 N 2.16 2.52 -0.02 0.00 0.04 -1.26 -4.96 135.00 133.47 1gks s PRO 12 Ca 0.03 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1gks s PRO 12 Cb -0.15 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1gks s PRO 12 CO -0.08 -1.60 1.92 0.95 0.04 0.00 0.00 177.00 178.23 1gks s THR 13 N -1.53 3.16 0.24 1.26 -4.23 -1.07 -4.90 115.64 108.57 1gks s THR 13 Ca 0.80 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 61.43 1gks s THR 13 Cb -0.35 -3.13 0.24 0.00 1.34 0.00 0.00 72.50 70.60 1gks s THR 13 CO 0.40 -0.03 1.66 0.00 -0.54 0.00 0.00 174.62 176.11 1gks h SER 15 N 0.17 0.07 -0.92 0.00 4.64 -1.73 0.28 113.55 116.05 1gks h SER 15 Ca 0.39 0.20 0.24 0.00 -0.47 0.00 0.00 61.79 62.15 1gks h SER 15 Cb 0.67 0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 62.96 1gks h SER 15 CO -0.57 -0.16 0.63 0.28 -0.87 0.00 0.00 176.83 176.14 1gks h SER 16 N 0.22 0.24 0.00 4.97 0.02 -1.43 0.16 113.55 117.72 1gks h SER 16 Ca 0.59 0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 61.28 1gks h SER 16 Cb 1.22 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 1gks h SER 16 CO -0.66 0.08 -1.94 0.00 -1.14 0.00 0.00 176.83 173.17 1gks h HIS 18 N -1.00 0.00 -0.44 0.00 3.86 -0.91 0.31 115.15 116.98 1gks h HIS 18 Ca -0.43 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.70 1gks h HIS 18 Cb 1.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.83 1gks h HIS 18 CO -0.22 0.46 -0.04 0.22 0.86 0.00 0.00 177.93 179.20 1gks h ASP 19 N 0.00 0.80 1.13 2.45 3.58 -0.88 -3.12 116.42 120.37 1gks h ASP 19 Ca -0.00 -0.33 -0.17 0.00 0.42 0.00 0.00 57.03 56.94 1gks h ASP 19 Cb 0.84 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1gks h ASP 19 CO 0.06 0.94 -0.90 0.03 -2.88 0.00 0.00 179.24 176.50 1gks h ARG 20 N 0.64 0.00 -1.02 0.28 2.47 -1.65 -3.48 114.38 111.62 1gks h ARG 20 Ca 0.12 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.77 1gks h ARG 20 Cb 0.56 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.88 1gks h ARG 20 CO 0.03 0.69 -0.10 0.41 0.56 0.00 0.00 179.97 181.56 1gks n GLY 21 N 1.32 0.40 3.76 0.04 0.00 0.99 -5.00 105.19 106.71 1gks n GLY 21 Ca -0.01 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.52 2.16 -1.09 1.61 0.11 -0.55 -1.89 120.40 118.24 1gks s VAL 22 Ca 0.04 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1gks s VAL 22 Cb -0.02 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 1gks s VAL 22 CO 0.05 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 171.83 1gks n ALA 23 N -0.59 -0.75 -1.51 1.54 0.00 -1.26 -0.62 120.51 117.31 1gks n ALA 23 Ca 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 1gks n ALA 23 Cb 0.44 -1.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.80 0.71 3.71 0.00 0.00 -0.79 -4.98 105.19 103.03 1gks n GLY 24 Ca -0.15 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 0.38 2.30 -1.75 4.61 0.00 0.20 -4.86 120.51 121.39 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 0.36 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.33 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 0.77 4.15 0.68 0.00 0.04 -1.26 -4.43 135.00 134.95 1gks s PRO 26 Ca 0.74 2.52 -0.11 0.00 0.04 0.00 0.00 61.00 64.19 1gks s PRO 26 Cb -0.56 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.03 1gks s PRO 26 CO 0.37 -0.89 1.08 -1.21 0.04 0.00 0.00 177.00 176.38 1gks s GLU 27 N 3.82 3.08 0.80 4.56 2.02 -1.26 -4.88 118.70 126.84 1gks s GLU 27 Ca 0.83 0.54 -0.11 0.00 0.02 0.00 0.00 54.97 56.26 1gks s GLU 27 Cb -0.42 -2.04 0.07 0.00 0.10 0.00 0.00 34.13 31.85 1gks s GLU 27 CO 0.38 -0.90 1.09 -0.51 0.02 0.00 0.00 175.26 175.34 1gks s LEU 28 N -5.31 2.77 -1.38 1.80 1.02 -1.26 -3.90 118.68 112.42 1gks s LEU 28 Ca 0.57 1.65 -0.18 0.00 0.02 0.00 0.00 54.13 56.20 1gks s LEU 28 Cb -0.11 -4.28 0.02 0.00 0.02 0.00 0.00 46.19 41.85 1gks s LEU 28 CO 0.52 -2.15 0.35 -0.46 0.02 0.00 0.00 176.35 174.63 1gks n ASN 29 N -3.58 -1.59 -2.97 2.29 6.94 -1.24 -4.91 115.26 110.19 1gks n ASN 29 Ca 0.08 -1.29 -0.15 0.00 -0.02 0.00 0.00 54.58 53.20 1gks n ASN 29 Cb 0.54 -1.62 0.01 0.00 -2.36 0.00 0.00 39.78 36.35 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 -4.84 0.61 -0.30 -2.53 0.00 -1.25 -4.93 120.51 107.25 1gks n ALA 30 Ca -0.22 -2.44 0.06 0.00 0.00 0.00 0.00 53.44 50.83 1gks n ALA 30 Cb 0.63 -1.05 0.13 0.00 0.00 0.00 0.00 19.45 19.15 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 0.88 -0.08 -0.31 0.00 -0.02 -1.26 -0.33 135.00 133.88 1gks n PRO 31 Ca 0.15 1.31 0.15 0.00 -2.02 0.00 0.00 63.50 63.10 1gks n PRO 31 Cb 0.63 -1.97 0.34 0.00 -0.02 0.00 0.00 33.50 32.48 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 0.28 0.00 -0.52 3.07 -1.98 0.20 114.58 115.63 1gks h GLU 32 Ca 0.41 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.22 1gks h GLU 32 Cb 0.64 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1gks h GLU 32 CO -0.86 0.18 -0.15 -0.44 -1.40 0.00 0.00 179.01 176.34 1gks h ASP 33 N 0.29 0.00 0.00 1.42 5.19 -1.04 -3.13 116.42 119.14 1gks h ASP 33 Ca 0.60 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.01 1gks h ASP 33 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1gks h ASP 33 CO -0.61 0.15 -1.64 0.79 -3.12 0.00 0.00 179.24 174.81 1gks n TRP 34 N -3.56 0.00 -0.29 4.55 7.02 0.45 -4.68 117.44 120.93 1gks n TRP 34 Ca -0.01 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.54 1gks n TRP 34 Cb 0.29 -0.33 0.15 0.00 -2.42 0.00 0.00 31.31 29.00 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 -1.99 0.25 0.57 6.99 0.00 0.29 -0.26 120.51 126.37 1gks n ALA 35 Ca -0.02 0.90 0.12 0.00 0.00 0.00 0.00 53.44 54.43 1gks n ALA 35 Cb 0.39 -0.57 0.13 0.00 0.00 0.00 0.00 19.45 19.40 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 -5.30 0.67 -4.72 0.00 9.92 -1.26 -4.90 116.55 110.95 1gks n ASP 36 Ca 0.15 0.02 -0.41 0.00 -0.53 0.00 0.00 54.79 54.02 1gks n ASP 36 Cb 0.47 0.35 -0.04 0.00 -0.64 0.00 0.00 41.12 41.26 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 -3.17 4.55 -0.28 -1.24 0.52 0.65 -4.97 118.95 115.00 1gks s ARG 37 Ca 0.05 1.27 -0.36 0.00 -0.52 0.00 0.00 55.73 56.17 1gks s ARG 37 Cb 0.14 -3.43 -0.12 0.00 0.52 0.00 0.00 34.95 32.06 1gks s ARG 37 CO 0.74 0.08 2.05 -2.30 0.02 0.00 0.00 175.30 175.89 1gks n PRO 38 N 3.48 1.33 0.22 3.54 -0.02 -1.26 -4.83 135.00 137.47 1gks n PRO 38 Ca 0.03 0.42 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 1gks n PRO 38 Cb 0.51 -2.46 0.81 0.00 -0.02 0.00 0.00 33.50 32.34 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 10.96 0.00 -0.79 2.55 0.02 -1.93 -3.42 113.55 120.94 1gks h SER 39 Ca -0.35 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.15 1gks h SER 39 Cb 1.31 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 1gks h SER 39 CO 0.99 0.00 1.61 -1.20 -1.14 0.00 0.00 176.83 177.10 1gks n SER 40 N -3.98 1.26 -0.34 3.07 7.64 -1.26 -4.85 113.62 115.16 1gks n SER 40 Ca 0.00 -0.29 -0.00 0.00 1.01 0.00 0.00 58.87 59.59 1gks n SER 40 Cb 0.24 -1.26 0.06 0.00 -1.01 0.00 0.00 64.21 62.23 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 7.79 0.05 -0.78 0.44 2.07 -1.99 0.11 116.25 123.94 1gks h VAL 41 Ca -0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1gks h VAL 41 Cb 1.26 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1gks h VAL 41 CO 1.27 0.00 0.40 0.44 0.02 0.00 0.00 177.57 179.70 1gks h ASP 42 N -0.03 0.52 -0.26 0.57 3.32 -1.95 0.29 116.42 118.87 1gks h ASP 42 Ca 0.35 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 1gks h ASP 42 Cb 0.61 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1gks h ASP 42 CO -0.93 0.27 0.15 -0.33 -1.72 0.00 0.00 179.24 176.68 1gks h GLU 43 N 0.64 0.37 -0.73 3.56 5.08 -1.14 -0.39 114.58 121.96 1gks h GLU 43 Ca 0.40 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1gks h GLU 43 Cb 0.46 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1gks h GLU 43 CO -0.30 0.32 0.45 -0.07 -1.00 0.00 0.00 179.01 178.41 1gks h LEU 44 N 0.31 0.86 -0.57 1.33 3.38 -0.72 -0.78 115.31 119.14 1gks h LEU 44 Ca 0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1gks h LEU 44 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1gks h LEU 44 CO -0.02 0.66 0.29 0.58 0.09 0.00 0.00 178.44 180.04 1gks h VAL 45 N 1.00 1.20 -0.36 1.22 2.07 0.16 0.12 116.25 121.65 1gks h VAL 45 Ca 0.26 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1gks h VAL 45 Cb -0.05 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1gks h VAL 45 CO -0.05 0.22 0.22 -0.33 0.02 0.00 0.00 177.57 177.65 1gks h GLU 46 N 0.77 0.49 -0.61 1.57 4.39 -0.01 0.29 114.58 121.47 1gks h GLU 46 Ca 0.20 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.94 1gks h GLU 46 Cb 0.09 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.56 1gks h GLU 46 CO -0.03 0.37 0.24 0.77 -1.16 0.00 0.00 179.01 179.20 1gks h SER 47 N 0.47 0.26 -0.25 1.42 0.02 -0.70 -0.02 113.55 114.75 1gks h SER 47 Ca 0.13 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1gks h SER 47 Cb 0.00 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1gks h SER 47 CO -0.02 0.16 -0.06 0.74 -1.14 0.00 0.00 176.83 176.51 1gks h THR 48 N 0.44 1.28 0.06 -2.27 2.02 -0.23 0.20 112.91 114.41 1gks h THR 48 Ca 0.30 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.44 1gks h THR 48 Cb 0.35 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1gks h THR 48 CO -0.29 0.33 -0.29 -0.07 0.37 0.00 0.00 175.52 175.57 1gks h LEU 49 N 0.24 -0.86 -0.95 2.58 3.38 0.00 -2.77 115.31 116.93 1gks h LEU 49 Ca 0.06 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1gks h LEU 49 Cb 0.53 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1gks h LEU 49 CO 0.02 -0.37 -0.33 0.00 0.09 0.00 0.00 178.44 177.85 1gks h ALA 50 N 0.25 1.11 0.00 1.53 0.00 -0.97 0.17 119.26 121.35 1gks h ALA 50 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1gks h ALA 50 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1gks h ALA 50 CO -0.21 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1gks n GLY 51 N -0.29 1.42 3.08 0.00 0.00 0.69 -4.10 105.19 105.99 1gks n GLY 51 Ca -0.01 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.57 0.51 6.85 1.61 2.20 0.17 -4.75 119.74 123.77 1gks s LYS 52 Ca 0.00 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 1gks s LYS 52 Cb 0.00 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1gks s LYS 52 CO 0.00 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 1gks n GLY 53 N 5.41 2.86 0.15 5.54 0.00 -1.26 -0.55 105.19 117.34 1gks n GLY 53 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 1.05 -2.29 4.61 0.00 -1.98 -3.44 119.26 116.24 1gks h ALA 54 Ca 0.00 -0.49 -0.54 0.00 0.00 0.00 0.00 54.91 53.87 1gks h ALA 54 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gks h ALA 54 CO 0.00 0.68 1.12 1.41 0.00 0.00 0.00 179.25 182.46 1gks s MET 55 N -3.71 4.17 0.72 0.00 0.00 0.28 -4.97 119.30 115.78 1gks s MET 55 Ca -0.01 2.30 -0.11 0.00 0.00 0.00 0.00 55.69 57.87 1gks s MET 55 Cb 0.13 -4.03 0.02 0.00 0.00 0.00 0.00 34.83 30.95 1gks s MET 55 CO 0.75 -0.87 1.07 -1.25 0.00 0.00 0.00 175.02 174.71 1gks s PRO 56 N 4.13 2.75 0.23 4.11 0.04 -1.26 -0.65 135.00 144.36 1gks s PRO 56 Ca 0.77 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1gks s PRO 56 Cb -0.36 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 1gks s PRO 56 CO 0.33 -1.24 1.33 0.00 0.04 0.00 0.00 177.00 177.45 1gks s ALA 57 N -3.01 3.54 -0.62 8.56 0.00 -1.26 -4.19 121.76 124.78 1gks s ALA 57 Ca 0.59 1.17 0.14 0.00 0.00 0.00 0.00 51.96 53.86 1gks s ALA 57 Cb -0.15 -3.49 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 1gks s ALA 57 CO 0.55 -0.58 0.58 0.66 0.00 0.00 0.00 175.76 176.97 1gks n TYR 58 N 2.21 0.00 -1.67 0.00 4.01 0.41 -4.90 117.16 117.21 1gks n TYR 58 Ca 0.05 0.00 -0.54 0.00 -0.16 0.00 0.00 57.90 57.25 1gks n TYR 58 Cb 0.42 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.39 2.27 0.00 7.72 2.03 -0.01 -0.48 116.55 126.68 1gks n ASP 59 Ca 0.02 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1gks n ASP 59 Cb 0.23 -1.19 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 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 3.63 2.84 0.13 0.27 0.00 -1.26 -4.77 105.19 106.03 1gks n GLY 60 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1gks n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gks n ARG 61 N -2.00 0.59 -3.52 1.61 1.74 0.36 -4.89 116.66 110.56 1gks n ARG 61 Ca 0.00 0.33 -0.37 0.00 -0.77 0.00 0.00 57.85 57.04 1gks n ARG 61 Cb 0.00 -1.56 -0.08 0.00 -1.02 0.00 0.00 32.46 29.80 1gks n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gks s ALA 62 N -2.48 3.59 -1.18 7.54 0.00 -0.03 -5.00 121.76 124.20 1gks s ALA 62 Ca -0.36 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 50.81 1gks s ALA 62 Cb 0.12 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.80 1gks s ALA 62 CO 0.53 -0.12 1.75 -0.51 0.00 0.00 0.00 175.76 177.41 1gks s ASP 63 N 0.81 6.20 0.00 0.00 1.01 -1.26 -4.79 116.67 118.64 1gks s ASP 63 Ca 0.15 -1.90 0.00 0.00 0.71 0.00 0.00 52.55 51.51 1gks s ASP 63 Cb -0.14 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1gks s ASP 63 CO 0.05 -1.83 0.00 -1.14 0.21 0.00 0.00 175.17 172.46 1gks n ARG 64 N 8.51 0.00 -0.32 8.23 0.63 -1.26 -0.58 116.66 131.88 1gks n ARG 64 Ca 0.44 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.56 1gks n ARG 64 Cb 0.47 0.00 0.45 0.00 0.45 0.00 0.00 32.46 33.83 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 0.50 -0.02 -0.14 5.08 -1.99 0.78 114.58 118.80 1gks h GLU 65 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1gks h GLU 65 Cb 0.00 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 1gks h GLU 65 CO 0.00 0.33 -0.44 -0.44 -1.00 0.00 0.00 179.01 177.46 1gks h ASP 66 N 0.51 -1.34 0.54 1.42 3.32 -1.20 0.55 116.42 120.23 1gks h ASP 66 Ca 0.57 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.76 1gks h ASP 66 Cb 1.26 0.52 -0.00 0.00 0.22 0.00 0.00 39.33 41.33 1gks h ASP 66 CO -0.32 -0.46 -0.32 -0.07 -1.72 0.00 0.00 179.24 176.35 1gks h LEU 67 N -0.58 -0.81 -0.67 1.55 3.38 -1.23 0.41 115.31 117.37 1gks h LEU 67 Ca 0.05 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1gks h LEU 67 Cb 0.66 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 1gks h LEU 67 CO -0.33 -0.51 -0.47 0.58 0.09 0.00 0.00 178.44 177.80 1gks h VAL 68 N -0.82 0.05 -0.27 1.22 2.07 -0.82 0.19 116.25 117.89 1gks h VAL 68 Ca -0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1gks h VAL 68 Cb 0.66 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1gks h VAL 68 CO 0.07 0.00 0.03 0.11 0.02 0.00 0.00 177.57 177.80 1gks h LYS 69 N -0.19 0.12 -0.10 1.57 1.79 -0.68 -0.17 116.57 118.91 1gks h LYS 69 Ca 0.18 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1gks h LYS 69 Cb 0.55 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1gks h LYS 69 CO -0.75 0.08 0.02 0.00 -1.08 0.00 0.00 179.45 177.73 1gks h ALA 70 N 1.21 0.10 -0.28 3.86 0.00 0.20 -1.95 119.26 122.41 1gks h ALA 70 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1gks h ALA 70 Cb 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gks h ALA 70 CO -0.18 -0.44 0.13 0.82 0.00 0.00 0.00 179.25 179.59 1gks h ILE 71 N 0.07 1.15 -0.83 0.00 2.04 -0.37 0.93 117.51 120.49 1gks h ILE 71 Ca 0.04 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1gks h ILE 71 Cb 0.03 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1gks h ILE 71 CO -0.05 0.15 0.55 1.05 0.00 0.00 0.00 178.15 179.85 1gks h GLU 72 N 0.31 1.06 0.12 2.37 -0.00 -0.91 -0.68 114.58 116.86 1gks h GLU 72 Ca 0.10 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.36 59.39 1gks h GLU 72 Cb 0.12 -0.24 0.00 0.00 -0.00 0.00 0.00 28.75 28.63 1gks h GLU 72 CO -0.01 0.70 -0.06 -0.92 -0.00 0.00 0.00 179.01 178.72 1gks h TYR 73 N 1.10 -0.15 -0.58 2.06 3.20 -0.50 0.13 116.97 122.23 1gks h TYR 73 Ca 0.31 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.25 1gks h TYR 73 Cb -0.07 0.05 -0.10 0.00 1.54 0.00 0.00 36.73 38.15 1gks h TYR 73 CO -0.00 -0.00 -0.53 0.52 -1.64 0.00 0.00 178.16 176.51 1gks h MET 74 N -0.27 -0.26 -0.91 1.82 2.86 -0.20 -0.66 114.93 117.30 1gks h MET 74 Ca -0.02 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1gks h MET 74 Cb 0.22 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1gks h MET 74 CO 0.03 -0.17 0.59 -0.07 1.06 0.00 0.00 176.91 178.34 1gks h LEU 75 N -0.27 0.97 -3.53 1.22 3.38 -1.03 -3.11 115.31 112.93 1gks h LEU 75 Ca 0.12 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1gks h LEU 75 Cb 0.55 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1gks h LEU 75 CO -0.69 0.65 -0.04 -1.20 0.09 0.00 0.00 178.44 177.25 1gks n SER 76 N -4.53 3.88 0.00 -0.43 7.64 0.45 -2.01 113.62 118.62 1gks n SER 76 Ca 0.12 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1gks n SER 76 Cb 0.11 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 1.89 0.00 0.75 0.44 -2.24 -1.18 -4.97 114.28 108.97 1gks n THR 77 Ca 0.08 -0.06 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1gks n THR 77 Cb 0.44 0.71 0.36 0.00 -2.10 0.00 0.00 70.33 69.74 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68