#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 1.45 0.64 6.12 0.00 -1.93 -1.76 103.07 107.58 1gks h GLY 2 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1gks h GLY 2 CO 0.00 -0.07 -0.39 -2.09 0.00 0.00 0.00 176.54 173.99 1gks h GLU 3 N 0.60 -0.79 -0.47 4.80 4.81 -1.91 0.47 114.58 122.09 1gks h GLU 3 Ca 0.56 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.89 1gks h GLU 3 Cb 1.10 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.61 1gks h GLU 3 CO -0.32 -0.53 0.21 0.66 -0.73 0.00 0.00 179.01 178.30 1gks h SER 4 N -0.82 0.26 0.23 1.04 4.64 -1.77 0.10 113.55 117.23 1gks h SER 4 Ca -0.04 0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1gks h SER 4 Cb 0.72 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 1gks h SER 4 CO -0.04 0.19 -0.41 0.40 -0.87 0.00 0.00 176.83 176.09 1gks h ILE 5 N 0.41 0.17 -0.12 0.95 2.04 -1.19 0.12 117.51 119.90 1gks h ILE 5 Ca 0.21 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.10 1gks h ILE 5 Cb 0.17 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1gks h ILE 5 CO -0.18 0.00 -0.05 0.22 0.00 0.00 0.00 178.15 178.13 1gks h TYR 6 N -0.72 -0.12 0.07 1.37 5.03 -0.56 -0.07 116.97 121.96 1gks h TYR 6 Ca -0.00 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 1gks h TYR 6 Cb 0.70 0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.05 1gks h TYR 6 CO -0.31 -0.09 -0.03 0.82 -1.32 0.00 0.00 178.16 177.23 1gks h ILE 7 N -0.04 1.20 -0.06 1.81 2.04 -0.65 -2.36 117.51 119.45 1gks h ILE 7 Ca 0.06 -0.98 -0.18 0.00 1.00 0.00 0.00 64.86 64.77 1gks h ILE 7 Cb 0.14 1.83 -0.18 0.00 -0.74 0.00 0.00 36.82 37.86 1gks h ILE 7 CO -0.14 0.24 -0.39 -3.20 0.00 0.00 0.00 178.15 174.66 1gks n ASN 8 N -4.92 -1.07 -2.69 1.72 2.85 0.31 -4.58 115.26 106.87 1gks n ASN 8 Ca -0.08 -2.20 0.00 0.00 -0.11 0.00 0.00 54.58 52.18 1gks n ASN 8 Cb 0.24 0.54 0.05 0.00 1.24 0.00 0.00 39.78 41.85 1gks n ASN 8 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gks n GLY 9 N -1.40 1.70 3.07 8.20 0.00 -0.06 -4.88 105.19 111.83 1gks n GLY 9 Ca -0.14 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.27 0.26 -0.20 2.61 -4.23 -1.11 -4.62 115.64 105.07 1gks s THR 10 Ca 0.27 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1gks s THR 10 Cb 0.33 -1.24 0.07 0.00 1.34 0.00 0.00 72.50 73.00 1gks s THR 10 CO -0.06 -0.86 0.06 0.00 -0.54 0.00 0.00 174.62 173.23 1gks s ALA 11 N -3.27 0.83 0.94 3.99 0.00 -1.26 -2.58 121.76 120.41 1gks s ALA 11 Ca 0.02 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 1gks s ALA 11 Cb 0.03 -1.18 0.11 0.00 0.00 0.00 0.00 23.12 22.08 1gks s ALA 11 CO -0.07 -1.24 0.85 -2.30 0.00 0.00 0.00 175.76 173.00 1gks n PRO 12 N 5.12 -0.47 -2.12 0.00 -0.02 -1.26 -4.93 135.00 131.33 1gks n PRO 12 Ca -0.08 -0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 60.90 1gks n PRO 12 Cb 0.47 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 -2.54 3.32 0.11 3.45 -4.23 -1.06 -4.93 115.64 109.75 1gks s THR 13 Ca 0.63 0.85 -0.23 0.00 -1.18 0.00 0.00 61.69 61.77 1gks s THR 13 Cb -0.22 -3.55 -0.09 0.00 1.34 0.00 0.00 72.50 69.98 1gks s THR 13 CO 0.62 0.03 1.71 0.00 -0.54 0.00 0.00 174.62 176.44 1gks n SER 15 N -5.19 -0.77 -0.39 0.00 3.41 -0.89 -1.32 113.62 108.47 1gks n SER 15 Ca -0.05 1.71 0.35 0.00 -0.26 0.00 0.00 58.87 60.62 1gks n SER 15 Cb 0.12 -0.33 0.62 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.28 0.00 4.04 0.02 -1.86 0.22 113.55 116.25 1gks h SER 16 Ca 0.28 0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.40 1gks h SER 16 Cb 0.52 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1gks h SER 16 CO -0.95 -0.32 -0.94 0.00 -1.14 0.00 0.00 176.83 173.49 1gks h HIS 18 N -1.00 0.49 0.00 0.00 3.86 -0.85 0.48 115.15 118.13 1gks h HIS 18 Ca -0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1gks h HIS 18 Cb 0.89 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 1gks h HIS 18 CO -0.34 0.34 -0.01 0.22 0.86 0.00 0.00 177.93 179.00 1gks h ASP 19 N 0.49 0.00 -0.18 2.45 3.58 -0.78 -0.60 116.42 121.38 1gks h ASP 19 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1gks h ASP 19 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1gks h ASP 19 CO -0.03 0.01 0.00 0.54 -2.88 0.00 0.00 179.24 176.89 1gks n ARG 20 N -3.38 2.79 -3.83 0.28 1.74 -1.00 -4.96 116.66 108.31 1gks n ARG 20 Ca -0.03 -1.99 -0.30 0.00 -0.77 0.00 0.00 57.85 54.76 1gks n ARG 20 Cb 0.11 -1.26 -0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 -0.13 -0.48 3.67 -0.13 0.00 -0.23 -4.87 105.19 103.02 1gks n GLY 21 Ca 0.09 0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.32 0.55 -2.67 1.61 0.31 0.02 -0.89 118.33 112.95 1gks n VAL 22 Ca 0.04 -0.14 -0.15 0.00 -0.01 0.00 0.00 64.34 64.08 1gks n VAL 22 Cb 0.52 -1.51 -0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 2.55 -0.85 -1.35 3.52 0.00 -1.26 -0.71 120.51 122.41 1gks n ALA 23 Ca 0.14 0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 1gks n ALA 23 Cb 0.30 -1.89 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 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 -0.92 0.60 3.72 0.00 0.00 -0.06 -4.98 105.19 103.55 1gks n GLY 24 Ca -0.12 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 0.55 1.88 -1.71 4.61 0.00 0.12 -4.88 120.51 121.08 1gks n ALA 25 Ca -0.05 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1gks n ALA 25 Cb 0.24 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 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 -0.85 4.13 0.62 0.00 0.04 -1.26 -4.39 135.00 133.29 1gks s PRO 26 Ca 0.63 2.61 0.02 0.00 0.04 0.00 0.00 61.00 64.30 1gks s PRO 26 Cb -0.55 -3.41 0.08 0.00 0.04 0.00 0.00 34.50 30.66 1gks s PRO 26 CO 0.53 -0.81 0.86 -1.21 0.04 0.00 0.00 177.00 176.40 1gks s GLU 27 N 2.19 2.16 0.89 4.56 2.02 -1.26 -4.84 118.70 124.42 1gks s GLU 27 Ca 0.79 -1.07 -0.11 0.00 0.02 0.00 0.00 54.97 54.60 1gks s GLU 27 Cb -0.48 -2.46 0.13 0.00 0.10 0.00 0.00 34.13 31.42 1gks s GLU 27 CO 0.35 -1.02 1.10 -0.51 0.02 0.00 0.00 175.26 175.20 1gks s LEU 28 N -4.88 2.53 -1.15 1.80 2.01 -1.26 -3.96 118.68 113.77 1gks s LEU 28 Ca 0.62 1.82 -0.10 0.00 0.01 0.00 0.00 54.13 56.47 1gks s LEU 28 Cb -0.08 -4.26 0.01 0.00 0.01 0.00 0.00 46.19 41.88 1gks s LEU 28 CO 0.41 -2.77 0.20 -0.46 1.01 0.00 0.00 176.35 174.73 1gks n ASN 29 N -4.00 -0.69 -3.17 2.29 6.94 -1.24 -4.89 115.26 110.49 1gks n ASN 29 Ca 0.09 -1.04 -0.20 0.00 -0.02 0.00 0.00 54.58 53.40 1gks n ASN 29 Cb 0.53 -1.28 -0.04 0.00 -2.36 0.00 0.00 39.78 36.63 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 -4.04 2.06 -0.34 -2.53 0.00 -1.25 -4.93 120.51 109.48 1gks n ALA 30 Ca -0.20 -3.32 0.02 0.00 0.00 0.00 0.00 53.44 49.94 1gks n ALA 30 Cb 0.52 -0.89 0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 3.45 -0.01 -0.75 0.00 0.11 -1.90 -1.04 132.00 131.86 1gks h PRO 31 Ca 0.08 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.33 1gks h PRO 31 Cb 0.93 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.91 1gks h PRO 31 CO 0.47 -0.01 -0.27 0.93 -0.21 0.00 0.00 178.00 178.91 1gks h GLU 32 N -0.01 -0.05 -0.72 1.05 3.07 -1.98 0.26 114.58 116.20 1gks h GLU 32 Ca 0.40 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.41 1gks h GLU 32 Cb 0.65 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.47 1gks h GLU 32 CO -0.95 -0.04 0.22 -0.44 -1.40 0.00 0.00 179.01 176.40 1gks h ASP 33 N -0.05 0.12 0.69 1.42 5.19 -1.58 -0.10 116.42 122.09 1gks h ASP 33 Ca 0.33 0.13 -0.26 0.00 -0.62 0.00 0.00 57.03 56.60 1gks h ASP 33 Cb 0.57 0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.19 1gks h ASP 33 CO -0.79 0.02 -1.41 -0.50 -3.12 0.00 0.00 179.24 173.44 1gks h TRP 34 N 0.33 0.04 -0.52 4.55 4.06 -1.01 -3.10 115.95 120.31 1gks h TRP 34 Ca 0.40 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 61.25 1gks h TRP 34 Cb 0.64 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.78 1gks h TRP 34 CO -0.22 1.04 0.08 0.00 -3.56 0.00 0.00 178.44 175.79 1gks h ALA 35 N 0.95 0.69 -0.60 1.49 0.00 -0.00 -2.94 119.26 118.85 1gks h ALA 35 Ca -0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1gks h ALA 35 Cb 1.92 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1gks h ALA 35 CO 0.11 0.42 0.20 -0.44 0.00 0.00 0.00 179.25 179.54 1gks h ASP 36 N 0.74 0.86 -4.31 0.00 3.32 -1.12 -3.45 116.42 112.47 1gks h ASP 36 Ca 0.16 -0.20 -0.50 0.00 0.02 0.00 0.00 57.03 56.51 1gks h ASP 36 Cb 0.40 -0.23 0.11 0.00 0.22 0.00 0.00 39.33 39.83 1gks h ASP 36 CO 0.01 0.84 0.35 -0.13 -1.72 0.00 0.00 179.24 178.58 1gks s ARG 37 N -5.43 2.44 -1.05 3.56 0.52 -1.11 -4.91 118.95 112.97 1gks s ARG 37 Ca -0.13 0.78 -0.24 0.00 -0.52 0.00 0.00 55.73 55.63 1gks s ARG 37 Cb 0.13 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.56 1gks s ARG 37 CO 0.81 -1.41 1.99 -2.14 0.02 0.00 0.00 175.30 174.58 1gks s PRO 38 N -5.10 2.30 0.56 3.54 0.02 -1.26 -4.78 135.00 130.27 1gks s PRO 38 Ca 0.60 -0.66 0.34 0.00 0.02 0.00 0.00 61.00 61.29 1gks s PRO 38 Cb -0.14 -5.12 1.48 0.00 0.02 0.00 0.00 34.50 30.74 1gks s PRO 38 CO 0.55 -3.99 1.80 0.77 -0.33 0.00 0.00 177.00 175.80 1gks h SER 39 N 10.69 0.00 -0.63 2.53 0.02 -1.86 -3.38 113.55 120.92 1gks h SER 39 Ca 0.14 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.45 1gks h SER 39 Cb 0.97 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 1gks h SER 39 CO 1.18 0.00 1.49 -1.20 -1.14 0.00 0.00 176.83 177.16 1gks n SER 40 N -4.03 1.40 -0.28 3.07 7.64 -1.26 -4.84 113.62 115.32 1gks n SER 40 Ca 0.21 0.33 0.10 0.00 1.01 0.00 0.00 58.87 60.52 1gks n SER 40 Cb 1.10 -1.13 0.25 0.00 -1.01 0.00 0.00 64.21 63.42 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 7.33 0.44 -0.85 0.44 2.07 -1.99 0.25 116.25 123.94 1gks h VAL 41 Ca -0.18 -0.10 0.15 0.00 0.82 0.00 0.00 66.70 67.40 1gks h VAL 41 Cb 1.34 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1gks h VAL 41 CO 1.13 0.05 0.56 -2.24 0.02 0.00 0.00 177.57 177.09 1gks h ASP 42 N 0.30 0.54 0.00 0.57 2.03 -1.93 0.43 116.42 118.36 1gks h ASP 42 Ca 0.50 0.04 -0.00 0.00 -0.73 0.00 0.00 57.03 56.84 1gks h ASP 42 Cb 0.93 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 1gks h ASP 42 CO -0.56 0.27 -0.00 -0.33 -1.03 0.00 0.00 179.24 177.59 1gks h GLU 43 N 0.57 -0.00 -0.89 4.15 5.08 -0.87 -3.35 114.58 119.26 1gks h GLU 43 Ca 0.43 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.98 1gks h GLU 43 Cb 0.83 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.97 1gks h GLU 43 CO -0.18 0.91 0.43 -0.07 -1.00 0.00 0.00 179.01 179.11 1gks h LEU 44 N -0.99 0.45 -1.35 1.33 3.38 -0.56 0.13 115.31 117.71 1gks h LEU 44 Ca -0.00 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1gks h LEU 44 Cb 0.92 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1gks h LEU 44 CO 0.00 0.10 0.36 -0.37 0.09 0.00 0.00 178.44 178.62 1gks h VAL 45 N 0.51 1.17 -0.04 1.22 -1.51 -1.08 0.76 116.25 117.28 1gks h VAL 45 Ca 0.53 -0.37 -0.00 0.00 -1.23 0.00 0.00 66.70 65.63 1gks h VAL 45 Cb 0.92 0.33 -0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1gks h VAL 45 CO -0.46 0.18 0.00 -0.33 -1.23 0.00 0.00 177.57 175.73 1gks h GLU 46 N 0.81 0.06 -0.63 5.19 4.39 -0.89 0.17 114.58 123.69 1gks h GLU 46 Ca 0.21 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 60.01 1gks h GLU 46 Cb -0.03 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.53 1gks h GLU 46 CO -0.04 0.32 0.18 0.77 -1.16 0.00 0.00 179.01 179.08 1gks h SER 47 N -0.20 0.10 -0.00 1.42 0.02 -0.99 0.77 113.55 114.67 1gks h SER 47 Ca 0.01 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1gks h SER 47 Cb 0.28 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1gks h SER 47 CO 0.00 0.05 0.00 0.74 -1.14 0.00 0.00 176.83 176.48 1gks h THR 48 N 0.32 1.21 -0.43 -2.27 2.02 -0.59 0.16 112.91 113.33 1gks h THR 48 Ca 0.33 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1gks h THR 48 Cb 0.49 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1gks h THR 48 CO -0.39 0.16 0.24 -0.07 0.37 0.00 0.00 175.52 175.83 1gks h LEU 49 N -0.26 0.54 -0.65 2.58 3.38 -0.09 -2.82 115.31 117.99 1gks h LEU 49 Ca 0.00 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1gks h LEU 49 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1gks h LEU 49 CO 0.00 0.47 -0.44 0.00 0.09 0.00 0.00 178.44 178.56 1gks h ALA 50 N 1.09 0.82 0.00 1.53 0.00 -0.86 0.26 119.26 122.10 1gks h ALA 50 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1gks h ALA 50 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gks h ALA 50 CO -0.02 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1gks n GLY 51 N 0.04 1.95 3.05 0.00 0.00 0.55 -4.05 105.19 106.73 1gks n GLY 51 Ca -0.02 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.50 0.48 5.87 1.61 2.20 0.03 -4.74 119.74 122.68 1gks s LYS 52 Ca 0.00 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1gks s LYS 52 Cb 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1gks s LYS 52 CO 0.00 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 1gks n GLY 53 N 5.40 1.79 0.17 5.54 0.00 -1.26 -0.45 105.19 116.39 1gks n GLY 53 Ca -0.01 0.38 -0.03 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.93 1.01 -2.21 4.61 0.00 -1.98 -3.44 119.26 116.32 1gks h ALA 54 Ca 0.00 -0.49 -0.55 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 0.67 1.18 1.41 0.00 0.00 0.00 179.25 182.51 1gks s MET 55 N -3.89 3.98 0.68 0.00 0.00 0.41 -4.98 119.30 115.50 1gks s MET 55 Ca -0.03 2.18 -0.13 0.00 0.00 0.00 0.00 55.69 57.71 1gks s MET 55 Cb 0.13 -4.08 0.01 0.00 0.00 0.00 0.00 34.83 30.88 1gks s MET 55 CO 0.77 -1.10 1.08 -1.25 0.00 0.00 0.00 175.02 174.53 1gks s PRO 56 N 4.52 2.85 0.51 4.11 0.04 -1.26 -0.79 135.00 144.98 1gks s PRO 56 Ca 0.80 1.16 -0.23 0.00 0.04 0.00 0.00 61.00 62.78 1gks s PRO 56 Cb -0.34 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 1gks s PRO 56 CO 0.33 -1.18 1.34 0.00 0.04 0.00 0.00 177.00 177.53 1gks s ALA 57 N -2.70 2.92 -0.36 8.56 0.00 -1.26 -4.33 121.76 124.60 1gks s ALA 57 Ca 0.62 1.29 0.10 0.00 0.00 0.00 0.00 51.96 53.97 1gks s ALA 57 Cb -0.17 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.30 1gks s ALA 57 CO 0.47 -1.22 0.37 0.66 0.00 0.00 0.00 175.76 176.04 1gks n TYR 58 N -0.78 0.00 -1.67 0.00 4.02 0.72 -4.91 117.16 114.55 1gks n TYR 58 Ca 0.09 0.00 -0.57 0.00 -0.01 0.00 0.00 57.90 57.40 1gks n TYR 58 Cb 0.45 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.37 1.87 0.00 7.72 2.03 -0.14 -0.70 116.55 125.95 1gks n ASP 59 Ca 0.01 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.43 1gks n ASP 59 Cb 0.18 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 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 3.51 3.07 0.10 0.27 0.00 -1.26 -4.81 105.19 106.07 1gks n GLY 60 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.92 0.54 -2.94 1.61 1.74 0.12 -4.89 116.66 111.91 1gks n ARG 61 Ca 0.00 0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.95 1gks n ARG 61 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 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 -2.76 3.63 -1.15 7.54 0.00 -0.43 -4.96 121.76 123.63 1gks s ALA 62 Ca -0.29 -0.23 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 1gks s ALA 62 Cb 0.06 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1gks s ALA 62 CO 0.42 -0.94 1.65 0.34 0.00 0.00 0.00 175.76 177.23 1gks s ASP 63 N 1.40 6.43 0.00 0.00 2.15 -1.26 -4.80 116.67 120.59 1gks s ASP 63 Ca 0.33 -1.84 0.00 0.00 0.43 0.00 0.00 52.55 51.46 1gks s ASP 63 Cb -0.15 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1gks s ASP 63 CO 0.08 -1.57 0.00 -1.14 -0.17 0.00 0.00 175.17 172.37 1gks n ARG 64 N 8.63 0.00 -0.33 4.34 0.63 -1.26 -0.53 116.66 128.14 1gks n ARG 64 Ca 0.41 0.00 0.26 0.00 -0.92 0.00 0.00 57.85 57.60 1gks n ARG 64 Cb 0.48 0.00 0.56 0.00 0.45 0.00 0.00 32.46 33.95 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 0.30 0.49 -0.14 3.07 -1.99 0.10 114.58 116.42 1gks h GLU 65 Ca 0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1gks h GLU 65 Cb 0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1gks h GLU 65 CO 0.00 0.20 -0.50 -0.44 -1.40 0.00 0.00 179.01 176.86 1gks h ASP 66 N 0.31 -1.38 0.08 1.42 3.32 -1.16 -0.20 116.42 118.79 1gks h ASP 66 Ca 0.61 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.79 1gks h ASP 66 Cb 1.71 0.46 -0.03 0.00 0.22 0.00 0.00 39.33 41.68 1gks h ASP 66 CO -0.26 -0.66 -0.23 -0.07 -1.72 0.00 0.00 179.24 176.29 1gks h LEU 67 N -1.00 -0.66 -0.54 1.55 3.38 -1.39 0.06 115.31 116.71 1gks h LEU 67 Ca -0.06 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1gks h LEU 67 Cb 0.87 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 1gks h LEU 67 CO -0.07 -0.31 -0.45 0.58 0.09 0.00 0.00 178.44 178.28 1gks h VAL 68 N -0.41 0.08 -0.87 1.22 2.07 -0.72 0.26 116.25 117.88 1gks h VAL 68 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1gks h VAL 68 Cb 0.45 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1gks h VAL 68 CO -0.15 0.00 0.56 0.11 0.02 0.00 0.00 177.57 178.10 1gks h LYS 69 N -0.26 1.15 -0.68 1.57 1.79 -0.61 0.11 116.57 119.65 1gks h LYS 69 Ca 0.16 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1gks h LYS 69 Cb 0.57 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1gks h LYS 69 CO -0.66 0.78 0.35 0.00 -1.08 0.00 0.00 179.45 178.84 1gks h ALA 70 N 1.31 0.87 -0.37 3.86 0.00 0.38 -0.10 119.26 125.20 1gks h ALA 70 Ca 0.32 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1gks h ALA 70 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1gks h ALA 70 CO -0.07 0.41 0.02 0.82 0.00 0.00 0.00 179.25 180.43 1gks h ILE 71 N 0.93 1.25 -0.19 0.00 2.04 -0.02 0.88 117.51 122.41 1gks h ILE 71 Ca 0.24 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.20 1gks h ILE 71 Cb 0.07 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1gks h ILE 71 CO -0.03 0.32 -0.09 -0.33 0.00 0.00 0.00 178.15 178.01 1gks h GLU 72 N 0.47 -0.07 -0.11 2.37 4.39 -0.41 0.09 114.58 121.30 1gks h GLU 72 Ca 0.11 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.85 1gks h GLU 72 Cb 0.43 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1gks h GLU 72 CO 0.02 -0.05 -0.13 -0.92 -1.16 0.00 0.00 179.01 176.76 1gks h TYR 73 N -0.07 -0.34 -0.15 4.33 3.20 -0.67 0.19 116.97 123.46 1gks h TYR 73 Ca 0.10 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1gks h TYR 73 Cb 0.23 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 1gks h TYR 73 CO -0.25 -0.20 -0.34 0.52 -1.64 0.00 0.00 178.16 176.25 1gks h MET 74 N -0.17 -0.31 -0.87 1.82 2.86 -0.30 -1.60 114.93 116.35 1gks h MET 74 Ca 0.08 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.91 1gks h MET 74 Cb 0.29 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.96 1gks h MET 74 CO -0.21 -0.21 0.57 -0.07 1.06 0.00 0.00 176.91 178.05 1gks h LEU 75 N -0.32 0.53 -2.64 1.22 4.07 -0.79 -2.93 115.31 114.45 1gks h LEU 75 Ca 0.03 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1gks h LEU 75 Cb 0.41 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1gks h LEU 75 CO -0.31 0.25 0.00 -1.20 -1.08 0.00 0.00 178.44 176.10 1gks n SER 76 N -4.54 2.46 0.00 -0.43 7.64 0.64 -1.41 113.62 117.98 1gks n SER 76 Ca 0.18 -1.50 0.00 0.00 1.01 0.00 0.00 58.87 58.56 1gks n SER 76 Cb 0.56 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 1.16 0.00 1.37 0.44 -2.24 -1.10 -5.01 114.28 108.89 1gks n THR 77 Ca 0.00 -0.13 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1gks n THR 77 Cb 0.30 0.93 0.65 0.00 -2.10 0.00 0.00 70.33 70.11 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68