#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 1.76 0.85 6.12 0.00 -1.97 -0.72 103.07 109.11 1gks h GLY 2 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1gks h GLY 2 CO 0.00 -0.10 -0.44 -2.09 0.00 0.00 0.00 176.54 173.91 1gks h GLU 3 N 0.71 -1.07 -0.75 4.80 4.81 -1.92 -0.08 114.58 121.09 1gks h GLU 3 Ca 0.58 0.07 0.17 0.00 -0.13 0.00 0.00 59.36 60.05 1gks h GLU 3 Cb 0.93 0.24 -0.13 0.00 0.63 0.00 0.00 28.75 30.42 1gks h GLU 3 CO -0.40 -0.71 -0.02 0.77 -0.73 0.00 0.00 179.01 177.92 1gks h SER 4 N -1.11 -0.39 0.67 1.04 0.02 -1.60 0.19 113.55 112.37 1gks h SER 4 Ca -0.10 0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1gks h SER 4 Cb 0.88 0.36 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1gks h SER 4 CO 0.11 -0.19 -0.35 0.40 -1.14 0.00 0.00 176.83 175.66 1gks h ILE 5 N 0.09 0.28 -0.66 3.27 2.04 -1.07 0.91 117.51 122.37 1gks h ILE 5 Ca 0.40 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.35 1gks h ILE 5 Cb 0.70 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 1gks h ILE 5 CO -0.67 0.00 0.31 0.22 0.00 0.00 0.00 178.15 178.00 1gks h TYR 6 N -0.94 0.55 0.05 1.37 5.03 -0.06 0.85 116.97 123.82 1gks h TYR 6 Ca -0.09 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.25 1gks h TYR 6 Cb 0.74 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1gks h TYR 6 CO -0.05 0.20 -0.02 0.82 -1.32 0.00 0.00 178.16 177.79 1gks h ILE 7 N 0.54 1.31 0.00 1.81 1.08 -0.54 -2.88 117.51 118.83 1gks h ILE 7 Ca 0.32 -1.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 1gks h ILE 7 Cb 0.33 2.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1gks h ILE 7 CO -0.26 0.37 -0.15 -0.46 -0.69 0.00 0.00 178.15 176.96 1gks n ASN 8 N -4.79 0.76 0.08 1.72 2.04 0.19 -4.57 115.26 110.68 1gks n ASN 8 Ca -0.08 -0.04 -0.13 0.00 -0.44 0.00 0.00 54.58 53.89 1gks n ASN 8 Cb 0.32 0.23 -0.05 0.00 -2.53 0.00 0.00 39.78 37.75 1gks n ASN 8 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1gks h GLY 9 N 0.00 0.39 -2.60 4.83 0.00 -0.08 -3.46 103.07 102.15 1gks h GLY 9 Ca 0.00 -0.72 -0.50 0.00 0.00 0.00 0.00 47.33 46.11 1gks h GLY 9 CO 0.00 0.63 0.47 -0.51 0.00 0.00 0.00 176.54 177.13 1gks s THR 10 N -3.18 3.18 -0.20 4.70 -4.23 0.18 -5.00 115.64 111.09 1gks s THR 10 Ca -0.05 0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1gks s THR 10 Cb 0.09 -3.42 0.06 0.00 1.34 0.00 0.00 72.50 70.57 1gks s THR 10 CO 0.86 -0.04 0.02 0.00 -0.54 0.00 0.00 174.62 174.92 1gks s ALA 11 N -1.60 1.21 0.90 3.99 0.00 -1.26 -2.49 121.76 122.51 1gks s ALA 11 Ca 0.65 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 1gks s ALA 11 Cb -0.27 -1.24 0.14 0.00 0.00 0.00 0.00 23.12 21.75 1gks s ALA 11 CO 0.32 -1.19 1.12 -1.25 0.00 0.00 0.00 175.76 174.76 1gks s PRO 12 N 1.76 1.13 0.01 0.00 0.04 -1.26 -4.63 135.00 132.05 1gks s PRO 12 Ca -0.02 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1gks s PRO 12 Cb -0.17 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 1gks s PRO 12 CO -0.08 -2.48 1.39 0.95 0.04 0.00 0.00 177.00 176.82 1gks s THR 13 N -2.71 3.70 0.14 1.26 -4.23 -1.04 -4.94 115.64 107.83 1gks s THR 13 Ca 0.65 1.10 -0.18 0.00 -1.18 0.00 0.00 61.69 62.08 1gks s THR 13 Cb -0.21 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 69.93 1gks s THR 13 CO 0.58 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.39 1gks n SER 15 N -5.11 -0.88 -0.37 0.00 3.41 -1.10 -1.16 113.62 108.41 1gks n SER 15 Ca -0.00 1.63 0.33 0.00 -0.26 0.00 0.00 58.87 60.57 1gks n SER 15 Cb 0.14 -0.25 0.60 0.00 -0.26 0.00 0.00 64.21 64.43 1gks n SER 15 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1gks h SER 16 N 0.00 0.32 0.00 4.04 0.02 -1.84 0.14 113.55 116.23 1gks h SER 16 Ca 0.19 0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 61.22 1gks h SER 16 Cb 0.42 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1gks h SER 16 CO -0.88 -0.32 -1.18 0.00 -1.14 0.00 0.00 176.83 173.31 1gks h HIS 18 N -1.00 0.41 -0.50 0.00 3.86 -0.76 0.26 115.15 117.43 1gks h HIS 18 Ca -0.20 -0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 58.81 1gks h HIS 18 Cb 1.02 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 1gks h HIS 18 CO -0.19 0.54 -0.20 -0.44 0.86 0.00 0.00 177.93 178.50 1gks h ASP 19 N 0.36 1.03 0.84 2.45 3.32 -0.95 -3.00 116.42 120.47 1gks h ASP 19 Ca 0.06 -0.38 -0.18 0.00 0.02 0.00 0.00 57.03 56.56 1gks h ASP 19 Cb 0.50 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1gks h ASP 19 CO 0.03 1.18 -0.84 -0.09 -1.72 0.00 0.00 179.24 177.81 1gks h ARG 20 N 0.87 0.00 -1.35 3.56 9.65 -1.61 -3.48 114.38 122.02 1gks h ARG 20 Ca 0.12 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.84 1gks h ARG 20 Cb 0.78 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1gks h ARG 20 CO 0.06 0.84 -0.21 0.41 2.80 0.00 0.00 179.97 183.88 1gks n GLY 21 N 0.89 0.10 3.75 2.80 0.00 0.86 -4.97 105.19 108.62 1gks n GLY 21 Ca -0.00 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1gks n GLY 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1gks n VAL 22 N -3.92 2.05 -2.37 1.61 3.14 -0.93 -1.19 118.33 116.72 1gks n VAL 22 Ca -0.08 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.67 1gks n VAL 22 Cb 0.56 -1.83 -0.01 0.00 -1.06 0.00 0.00 33.84 31.50 1gks n VAL 22 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1gks n ALA 23 N 0.35 -0.73 -1.76 1.55 0.00 -1.26 -0.67 120.51 117.99 1gks n ALA 23 Ca 0.03 0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1gks n ALA 23 Cb 0.38 -1.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.78 0.46 3.72 0.00 0.00 -0.33 -4.94 105.19 103.32 1gks n GLY 24 Ca -0.15 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.29 1.97 -1.82 4.61 0.00 0.16 -4.88 120.51 120.26 1gks n ALA 25 Ca -0.09 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1gks n ALA 25 Cb 0.45 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 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 -0.58 4.16 0.80 0.00 0.04 -1.26 -4.43 135.00 133.73 1gks s PRO 26 Ca 0.65 2.45 -0.06 0.00 0.04 0.00 0.00 61.00 64.07 1gks s PRO 26 Cb -0.55 -3.84 0.15 0.00 0.04 0.00 0.00 34.50 30.30 1gks s PRO 26 CO 0.50 -0.84 1.10 -1.21 0.04 0.00 0.00 177.00 176.59 1gks s GLU 27 N 3.46 1.37 0.78 4.56 2.02 -1.26 -4.86 118.70 124.77 1gks s GLU 27 Ca 0.80 -0.85 -0.11 0.00 0.02 0.00 0.00 54.97 54.83 1gks s GLU 27 Cb -0.41 -2.17 0.06 0.00 0.10 0.00 0.00 34.13 31.71 1gks s GLU 27 CO 0.35 -1.75 1.09 -0.51 0.02 0.00 0.00 175.26 174.46 1gks s LEU 28 N -5.39 2.90 -1.23 1.80 2.01 -1.26 -4.01 118.68 113.49 1gks s LEU 28 Ca 0.68 1.69 -0.03 0.00 0.01 0.00 0.00 54.13 56.49 1gks s LEU 28 Cb -0.05 -4.38 0.00 0.00 0.01 0.00 0.00 46.19 41.78 1gks s LEU 28 CO 0.47 -2.02 0.06 -0.46 1.01 0.00 0.00 176.35 175.41 1gks n ASN 29 N -3.50 0.35 -3.19 2.29 6.94 -1.23 -4.88 115.26 112.04 1gks n ASN 29 Ca 0.08 -1.04 -0.20 0.00 -0.02 0.00 0.00 54.58 53.40 1gks n ASN 29 Cb 0.54 -1.29 -0.04 0.00 -2.36 0.00 0.00 39.78 36.62 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 -3.96 2.20 -0.34 -2.53 0.00 -1.26 -4.96 120.51 109.66 1gks n ALA 30 Ca -0.25 -3.44 0.15 0.00 0.00 0.00 0.00 53.44 49.90 1gks n ALA 30 Cb 0.56 -0.89 0.30 0.00 0.00 0.00 0.00 19.45 19.42 1gks n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1gks h PRO 31 N 3.31 0.00 -1.01 0.00 0.11 -1.90 0.17 132.00 132.70 1gks h PRO 31 Ca 0.09 -0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.43 1gks h PRO 31 Cb 0.93 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.92 1gks h PRO 31 CO 0.50 0.00 0.60 0.93 -0.21 0.00 0.00 178.00 179.82 1gks h GLU 32 N 0.00 0.61 0.00 1.05 5.08 -1.99 0.23 114.58 119.57 1gks h GLU 32 Ca 0.61 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.90 1gks h GLU 32 Cb 1.26 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1gks h GLU 32 CO -0.93 0.41 -0.14 -0.44 -1.00 0.00 0.00 179.01 176.91 1gks h ASP 33 N 0.63 0.00 0.00 1.42 5.19 -1.03 -3.19 116.42 119.45 1gks h ASP 33 Ca 0.63 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.98 1gks h ASP 33 Cb 1.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 1gks h ASP 33 CO -0.45 0.14 -1.73 0.79 -3.12 0.00 0.00 179.24 174.88 1gks n TRP 34 N -3.56 0.00 -0.29 4.55 7.02 0.43 -4.71 117.44 120.88 1gks n TRP 34 Ca -0.01 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.53 1gks n TRP 34 Cb 0.28 -0.41 0.13 0.00 -2.42 0.00 0.00 31.31 28.89 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 -2.12 0.23 0.54 6.99 0.00 0.53 -0.29 120.51 126.38 1gks n ALA 35 Ca -0.07 0.89 0.12 0.00 0.00 0.00 0.00 53.44 54.38 1gks n ALA 35 Cb 0.51 -0.55 0.17 0.00 0.00 0.00 0.00 19.45 19.58 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 -4.04 0.00 5.19 -1.84 -3.48 116.42 112.25 1gks h ASP 36 Ca 0.41 -0.19 -0.47 0.00 -0.62 0.00 0.00 57.03 56.15 1gks h ASP 36 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1gks h ASP 36 CO -0.83 0.10 0.30 -0.13 -3.12 0.00 0.00 179.24 175.55 1gks s ARG 37 N -3.18 3.97 0.02 3.56 0.52 0.60 -4.99 118.95 119.46 1gks s ARG 37 Ca 0.06 0.87 -0.35 0.00 -0.52 0.00 0.00 55.73 55.79 1gks s ARG 37 Cb 0.13 -2.22 -0.14 0.00 0.52 0.00 0.00 34.95 33.25 1gks s ARG 37 CO 0.72 -0.15 1.65 -2.30 0.02 0.00 0.00 175.30 175.24 1gks n PRO 38 N -1.26 1.88 -0.18 3.54 -0.02 -1.26 -4.87 135.00 132.82 1gks n PRO 38 Ca 0.06 0.68 -0.11 0.00 -2.02 0.00 0.00 63.50 62.11 1gks n PRO 38 Cb 0.54 -2.44 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1gks n PRO 38 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1gks h SER 39 N 6.83 1.03 -0.78 2.55 4.64 -1.94 -3.43 113.55 122.45 1gks h SER 39 Ca -0.47 -0.36 -0.50 0.00 -0.47 0.00 0.00 61.79 59.99 1gks h SER 39 Cb 1.28 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 1gks h SER 39 CO 0.90 1.15 1.67 -1.20 -0.87 0.00 0.00 176.83 178.47 1gks n SER 40 N -4.15 1.33 -0.36 4.97 7.64 -1.26 -4.84 113.62 116.95 1gks n SER 40 Ca 0.01 -0.08 0.10 0.00 1.01 0.00 0.00 58.87 59.91 1gks n SER 40 Cb 0.41 -1.23 0.28 0.00 -1.01 0.00 0.00 64.21 62.66 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 7.77 0.79 -0.24 0.44 2.07 -1.99 0.14 116.25 125.23 1gks h VAL 41 Ca -0.15 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.15 1gks h VAL 41 Cb 1.30 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1gks h VAL 41 CO 1.25 0.16 0.28 -2.24 0.02 0.00 0.00 177.57 177.04 1gks h ASP 42 N 0.86 0.00 0.00 0.57 2.03 -1.97 0.11 116.42 118.01 1gks h ASP 42 Ca 0.54 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.64 1gks h ASP 42 Cb 0.72 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.19 1gks h ASP 42 CO -0.33 0.00 -1.16 -0.33 -1.03 0.00 0.00 179.24 176.38 1gks h GLU 43 N 0.00 0.00 -0.99 4.15 4.39 -1.13 -3.38 114.58 117.62 1gks h GLU 43 Ca 0.12 0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.01 1gks h GLU 43 Cb 0.67 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.22 1gks h GLU 43 CO -0.00 0.88 0.61 -0.07 -1.16 0.00 0.00 179.01 179.27 1gks h LEU 44 N -1.00 0.72 -1.49 1.33 3.38 -0.81 0.14 115.31 117.58 1gks h LEU 44 Ca -0.31 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1gks h LEU 44 Cb 1.20 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1gks h LEU 44 CO -0.19 0.26 0.12 1.62 0.09 0.00 0.00 178.44 180.34 1gks h VAL 45 N 0.70 1.14 -0.04 1.22 3.04 -0.99 0.42 116.25 121.73 1gks h VAL 45 Ca 0.56 -0.43 -0.00 0.00 -1.01 0.00 0.00 66.70 65.81 1gks h VAL 45 Cb 0.96 0.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1gks h VAL 45 CO -0.34 0.16 0.01 -0.33 -1.01 0.00 0.00 177.57 176.06 1gks h GLU 46 N 0.46 0.06 -0.76 4.17 4.39 -0.90 0.21 114.58 122.21 1gks h GLU 46 Ca 0.11 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.92 1gks h GLU 46 Cb 0.12 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.67 1gks h GLU 46 CO -0.01 0.30 0.36 0.77 -1.16 0.00 0.00 179.01 179.27 1gks h SER 47 N -0.18 0.43 -0.19 1.42 0.02 -1.14 0.09 113.55 114.00 1gks h SER 47 Ca 0.01 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1gks h SER 47 Cb 0.27 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1gks h SER 47 CO 0.00 0.21 -0.07 0.74 -1.14 0.00 0.00 176.83 176.57 1gks h THR 48 N 0.56 1.30 -0.10 -2.27 2.02 -0.60 0.27 112.91 114.09 1gks h THR 48 Ca 0.40 -1.09 0.03 0.00 0.77 0.00 0.00 66.41 66.52 1gks h THR 48 Cb 0.52 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1gks h THR 48 CO -0.33 0.33 -0.10 -0.07 0.37 0.00 0.00 175.52 175.72 1gks h LEU 49 N 0.09 -0.31 -0.36 2.58 3.38 0.17 -2.76 115.31 118.10 1gks h LEU 49 Ca 0.04 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1gks h LEU 49 Cb 0.54 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1gks h LEU 49 CO 0.02 -0.13 -0.66 0.00 0.09 0.00 0.00 178.44 177.76 1gks h ALA 50 N 0.95 0.70 0.00 1.53 0.00 -1.02 0.13 119.26 121.55 1gks h ALA 50 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1gks h ALA 50 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1gks h ALA 50 CO -0.17 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1gks n GLY 51 N 0.86 1.18 3.51 0.00 0.00 0.96 -3.95 105.19 107.74 1gks n GLY 51 Ca 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.67 0.50 7.24 1.61 2.20 -0.03 -4.74 119.74 123.85 1gks s LYS 52 Ca 0.00 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1gks s LYS 52 Cb 0.00 0.68 0.00 0.00 -1.51 0.00 0.00 37.83 37.00 1gks s LYS 52 CO 0.00 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1gks n GLY 53 N 5.43 3.73 0.22 5.54 0.00 -1.26 -0.40 105.19 118.45 1gks n GLY 53 Ca -0.11 0.22 0.12 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 0.95 -2.19 4.61 0.00 -1.98 -3.44 119.26 116.26 1gks h ALA 54 Ca 0.00 -0.09 -0.55 0.00 0.00 0.00 0.00 54.91 54.26 1gks h ALA 54 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1gks h ALA 54 CO 0.00 0.13 1.08 1.41 0.00 0.00 0.00 179.25 181.87 1gks s MET 55 N -3.33 4.08 0.70 0.00 0.00 0.46 -4.99 119.30 116.21 1gks s MET 55 Ca 0.04 2.00 -0.12 0.00 0.00 0.00 0.00 55.69 57.61 1gks s MET 55 Cb 0.07 -3.98 0.01 0.00 0.00 0.00 0.00 34.83 30.94 1gks s MET 55 CO 0.65 -0.95 1.08 -1.25 0.00 0.00 0.00 175.02 174.54 1gks s PRO 56 N 4.15 2.78 0.59 4.11 0.04 -1.26 -0.85 135.00 144.57 1gks s PRO 56 Ca 0.71 1.12 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 1gks s PRO 56 Cb -0.30 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1gks s PRO 56 CO 0.28 -1.23 1.34 0.00 0.04 0.00 0.00 177.00 177.42 1gks s ALA 57 N -2.80 2.62 -0.30 8.56 0.00 -1.25 -4.26 121.76 124.33 1gks s ALA 57 Ca 0.61 1.29 0.05 0.00 0.00 0.00 0.00 51.96 53.92 1gks s ALA 57 Cb -0.16 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 1gks s ALA 57 CO 0.50 -1.49 0.27 0.66 0.00 0.00 0.00 175.76 175.69 1gks n TYR 58 N -1.44 0.00 -1.40 0.00 4.01 0.39 -4.88 117.16 113.84 1gks n TYR 58 Ca 0.13 0.00 -0.53 0.00 -0.16 0.00 0.00 57.90 57.34 1gks n TYR 58 Cb 0.46 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.01 1.79 0.00 7.72 2.03 -0.75 -0.07 116.55 126.27 1gks n ASP 59 Ca 0.01 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1gks n ASP 59 Cb 0.09 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 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 6.74 2.89 0.12 0.27 0.00 -1.26 -4.82 105.19 109.12 1gks n GLY 60 Ca 0.44 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.27 -4.59 1.61 3.08 -0.81 -3.43 114.38 110.51 1gks h ARG 61 Ca 0.00 -0.25 -0.53 0.00 0.07 0.00 0.00 59.98 59.27 1gks h ARG 61 Cb 0.00 0.06 -0.34 0.00 0.08 0.00 0.00 29.97 29.77 1gks h ARG 61 CO 0.00 0.92 -0.82 0.00 -1.07 0.00 0.00 179.97 179.00 1gks s ALA 62 N -3.44 1.35 0.37 0.04 0.00 -0.28 -4.65 121.76 115.15 1gks s ALA 62 Ca -0.15 -0.48 -0.25 0.00 0.00 0.00 0.00 51.96 51.09 1gks s ALA 62 Cb 0.03 -0.62 -0.09 0.00 0.00 0.00 0.00 23.12 22.43 1gks s ALA 62 CO 0.76 0.08 1.02 0.34 0.00 0.00 0.00 175.76 177.96 1gks s ASP 63 N 0.73 6.99 0.17 0.00 2.15 -1.26 -4.50 116.67 120.95 1gks s ASP 63 Ca -0.13 1.98 0.02 0.00 0.43 0.00 0.00 52.55 54.85 1gks s ASP 63 Cb -0.16 -2.58 0.43 0.00 -0.30 0.00 0.00 42.92 40.31 1gks s ASP 63 CO 0.03 -0.33 0.84 -1.14 -0.17 0.00 0.00 175.17 174.40 1gks n ARG 64 N 0.21 -0.04 0.26 4.34 0.63 -1.26 -0.16 116.66 120.63 1gks n ARG 64 Ca 0.04 0.80 -0.16 0.00 -0.92 0.00 0.00 57.85 57.61 1gks n ARG 64 Cb 0.50 -1.28 -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 1.49 -2.51 0.00 0.00 177.63 176.61 1gks h GLU 65 N 0.00 -0.58 -0.02 -0.14 4.81 -1.99 0.19 114.58 116.86 1gks h GLU 65 Ca 0.33 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1gks h GLU 65 Cb 0.70 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1gks h GLU 65 CO -0.50 -0.37 -0.08 -0.44 -0.73 0.00 0.00 179.01 176.90 1gks h ASP 66 N -0.63 -0.23 -0.11 1.04 3.32 -0.92 -0.49 116.42 118.40 1gks h ASP 66 Ca -0.06 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1gks h ASP 66 Cb 0.48 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 1gks h ASP 66 CO 0.10 -0.11 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.03 1gks h LEU 67 N -0.13 -1.28 -0.09 1.55 3.38 -0.96 0.45 115.31 118.24 1gks h LEU 67 Ca 0.04 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.21 1gks h LEU 67 Cb 0.18 0.52 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 1gks h LEU 67 CO -0.10 -0.43 -0.43 0.58 0.09 0.00 0.00 178.44 178.16 1gks h VAL 68 N -0.50 0.14 -0.75 1.22 2.07 -0.28 0.18 116.25 118.34 1gks h VAL 68 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.70 1gks h VAL 68 Cb 0.62 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1gks h VAL 68 CO -0.38 0.00 0.38 0.11 0.02 0.00 0.00 177.57 177.70 1gks h LYS 69 N -0.52 0.61 -0.56 1.57 1.79 -0.71 0.96 116.57 119.70 1gks h LYS 69 Ca 0.06 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.44 1gks h LYS 69 Cb 0.64 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1gks h LYS 69 CO -0.37 0.40 0.12 0.00 -1.08 0.00 0.00 179.45 178.52 1gks h ALA 70 N 1.46 0.74 0.11 3.86 0.00 -0.07 -1.68 119.26 123.67 1gks h ALA 70 Ca 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1gks h ALA 70 Cb 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gks h ALA 70 CO -0.29 0.46 -0.05 0.82 0.00 0.00 0.00 179.25 180.19 1gks h ILE 71 N 0.81 1.05 -1.00 0.00 2.04 0.38 0.65 117.51 121.45 1gks h ILE 71 Ca 0.17 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.40 1gks h ILE 71 Cb 0.37 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 1gks h ILE 71 CO 0.00 0.16 0.66 1.05 0.00 0.00 0.00 178.15 180.02 1gks h GLU 72 N -0.45 1.28 0.01 2.37 4.11 -0.83 0.35 114.58 121.41 1gks h GLU 72 Ca -0.01 -0.08 0.02 0.00 0.07 0.00 0.00 59.36 59.36 1gks h GLU 72 Cb 0.37 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1gks h GLU 72 CO 0.02 0.85 -0.11 -0.92 0.07 0.00 0.00 179.01 178.92 1gks h TYR 73 N 1.32 -0.29 -0.46 2.06 3.20 -1.12 0.16 116.97 121.84 1gks h TYR 73 Ca 0.38 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.31 1gks h TYR 73 Cb -0.09 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 1gks h TYR 73 CO -0.00 -0.17 0.19 0.00 -1.64 0.00 0.00 178.16 176.54 1gks h MET 74 N -0.20 0.37 -0.40 1.82 -0.00 0.11 -1.28 114.93 115.35 1gks h MET 74 Ca 0.04 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.70 59.67 1gks h MET 74 Cb 0.24 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 31.74 1gks h MET 74 CO -0.11 0.25 0.06 -0.07 -0.00 0.00 0.00 176.91 177.04 1gks h LEU 75 N 0.38 0.57 0.00 -0.10 3.38 -0.63 -2.56 115.31 116.35 1gks h LEU 75 Ca 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1gks h LEU 75 Cb 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1gks h LEU 75 CO -0.19 0.60 0.00 -1.20 0.09 0.00 0.00 178.44 177.74 1gks n SER 76 N -4.29 0.00 0.03 -0.43 7.64 0.52 -1.09 113.62 116.00 1gks n SER 76 Ca 0.02 0.35 0.12 0.00 1.01 0.00 0.00 58.87 60.37 1gks n SER 76 Cb 0.22 -0.38 0.26 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.38 0.16 1.91 0.44 -2.24 -0.96 -5.05 114.28 107.16 1gks n THR 77 Ca 0.02 -0.12 0.16 0.00 -2.27 0.00 0.00 64.05 61.83 1gks n THR 77 Cb 0.04 -0.01 0.87 0.00 -2.10 0.00 0.00 70.33 69.13 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68