#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gks n GLY 2 N 0.00 4.22 4.12 0.27 0.00 -1.26 -4.80 105.19 107.74 1gks n GLY 2 Ca 0.00 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 1gks n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gks n GLU 3 N 0.94 -0.82 0.12 1.61 2.13 -1.26 -4.74 120.64 118.62 1gks n GLU 3 Ca 0.46 0.13 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1gks n GLU 3 Cb 0.58 -3.18 0.00 0.00 0.27 0.00 0.00 31.44 29.12 1gks n GLU 3 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1gks n SER 4 N -2.52 -1.33 -0.02 4.31 3.41 -1.26 -4.77 113.62 111.45 1gks n SER 4 Ca -0.20 0.44 -0.11 0.00 -0.26 0.00 0.00 58.87 58.73 1gks n SER 4 Cb 0.62 1.40 -0.05 0.00 -0.26 0.00 0.00 64.21 65.92 1gks n SER 4 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1gks h ILE 5 N 0.00 0.21 -0.55 -1.33 2.04 -1.85 0.29 117.51 116.32 1gks h ILE 5 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1gks h ILE 5 Cb 0.00 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1gks h ILE 5 CO 0.00 0.00 0.20 0.22 0.00 0.00 0.00 178.15 178.57 1gks h TYR 6 N -0.42 0.85 -0.16 1.37 5.03 -1.88 -1.41 116.97 120.35 1gks h TYR 6 Ca 0.10 -0.07 -0.09 0.00 2.58 0.00 0.00 58.73 61.25 1gks h TYR 6 Cb 0.58 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 1gks h TYR 6 CO -0.46 0.71 -0.24 0.82 -1.32 0.00 0.00 178.16 177.67 1gks h ILE 7 N 0.75 1.35 0.00 1.81 1.08 -1.71 -2.95 117.51 117.84 1gks h ILE 7 Ca 0.18 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 1gks h ILE 7 Cb 0.23 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1gks h ILE 7 CO -0.01 0.44 0.00 -0.46 -0.69 0.00 0.00 178.15 177.42 1gks n ASN 8 N -4.44 0.00 -2.11 1.72 0.23 0.64 -4.57 115.26 106.73 1gks n ASN 8 Ca -0.06 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.74 1gks n ASN 8 Cb 0.43 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.22 1gks n ASN 8 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1gks n GLY 9 N 0.00 4.82 3.03 4.83 0.00 0.69 -4.83 105.19 113.73 1gks n GLY 9 Ca 0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.48 0.49 -0.20 2.61 -4.23 -1.02 -4.66 115.64 105.14 1gks s THR 10 Ca 0.50 -0.83 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1gks s THR 10 Cb 0.40 -0.53 0.06 0.00 1.34 0.00 0.00 72.50 73.78 1gks s THR 10 CO 0.02 -0.24 0.05 0.00 -0.54 0.00 0.00 174.62 173.91 1gks s ALA 11 N -1.02 0.92 0.92 3.99 0.00 -1.26 -2.61 121.76 122.70 1gks s ALA 11 Ca -0.07 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1gks s ALA 11 Cb -0.08 -1.18 0.12 0.00 0.00 0.00 0.00 23.12 21.98 1gks s ALA 11 CO 0.00 -1.21 0.98 -2.30 0.00 0.00 0.00 175.76 173.23 1gks n PRO 12 N 5.08 -0.41 -2.38 0.00 -0.02 -1.26 -4.79 135.00 131.22 1gks n PRO 12 Ca -0.08 -0.06 -0.43 0.00 -2.02 0.00 0.00 63.50 60.91 1gks n PRO 12 Cb 0.47 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.57 4.15 0.13 3.45 -4.23 -1.07 -4.94 115.64 110.56 1gks s THR 13 Ca 0.65 1.44 -0.22 0.00 -1.18 0.00 0.00 61.69 62.39 1gks s THR 13 Cb -0.23 -3.93 -0.01 0.00 1.34 0.00 0.00 72.50 69.67 1gks s THR 13 CO 0.60 -0.07 1.67 0.00 -0.54 0.00 0.00 174.62 176.28 1gks n SER 15 N -5.29 -0.90 -0.32 0.00 3.41 -1.12 -1.33 113.62 108.08 1gks n SER 15 Ca -0.02 1.65 0.19 0.00 -0.26 0.00 0.00 58.87 60.42 1gks n SER 15 Cb 0.21 -0.26 0.38 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.01 0.00 4.04 0.02 -1.84 0.21 113.55 115.99 1gks h SER 16 Ca 0.14 0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1gks h SER 16 Cb 0.35 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1gks h SER 16 CO -0.80 -0.26 -0.45 0.00 -1.14 0.00 0.00 176.83 174.18 1gks h HIS 18 N -1.00 0.48 -0.18 0.00 3.86 -0.92 0.24 115.15 117.63 1gks h HIS 18 Ca -0.08 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1gks h HIS 18 Cb 0.66 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1gks h HIS 18 CO 0.02 0.53 0.09 0.22 0.86 0.00 0.00 177.93 179.65 1gks h ASP 19 N 0.43 0.22 0.60 2.45 3.58 -0.79 -2.84 116.42 120.07 1gks h ASP 19 Ca 0.09 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 1gks h ASP 19 Cb 0.41 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 1gks h ASP 19 CO 0.02 0.26 -0.66 0.03 -2.88 0.00 0.00 179.24 176.01 1gks h ARG 20 N 0.18 0.05 -1.02 0.28 3.08 -1.62 -3.47 114.38 111.85 1gks h ARG 20 Ca 0.06 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 1gks h ARG 20 Cb 0.08 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1gks h ARG 20 CO -0.01 0.69 -0.11 0.41 -1.07 0.00 0.00 179.97 179.88 1gks n GLY 21 N 0.36 0.36 3.75 0.04 0.00 0.79 -4.99 105.19 105.51 1gks n GLY 21 Ca -0.01 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.66 2.28 -2.68 1.61 3.14 -0.86 -1.48 118.33 116.67 1gks n VAL 22 Ca -0.03 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.70 1gks n VAL 22 Cb 0.53 -1.82 -0.00 0.00 -1.06 0.00 0.00 33.84 31.49 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 0.16 -0.86 -1.67 1.55 0.00 -1.26 -0.79 120.51 117.64 1gks n ALA 23 Ca 0.04 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1gks n ALA 23 Cb 0.39 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.91 0.57 3.72 0.00 0.00 -0.55 -4.80 105.19 103.22 1gks n GLY 24 Ca -0.11 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.03 2.60 -1.77 4.61 0.00 0.03 -4.87 120.51 121.09 1gks n ALA 25 Ca -0.09 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 1gks n ALA 25 Cb 0.42 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 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 0.73 3.67 0.87 0.00 0.04 -1.26 -4.43 135.00 134.63 1gks s PRO 26 Ca 0.73 2.14 -0.13 0.00 0.04 0.00 0.00 61.00 63.78 1gks s PRO 26 Cb -0.52 -4.21 0.14 0.00 0.04 0.00 0.00 34.50 29.95 1gks s PRO 26 CO 0.37 -1.48 1.23 -1.21 0.04 0.00 0.00 177.00 175.95 1gks s GLU 27 N 5.22 1.32 0.88 4.56 8.01 -1.26 -4.89 118.70 132.55 1gks s GLU 27 Ca 0.88 -0.22 -0.10 0.00 0.01 0.00 0.00 54.97 55.54 1gks s GLU 27 Cb -0.34 -1.93 0.13 0.00 -4.31 0.00 0.00 34.13 27.67 1gks s GLU 27 CO 0.36 -1.96 1.12 -0.51 0.01 0.00 0.00 175.26 174.28 1gks s LEU 28 N -5.69 2.78 -1.24 1.80 2.01 -1.26 -3.80 118.68 113.28 1gks s LEU 28 Ca 0.68 2.02 -0.06 0.00 0.01 0.00 0.00 54.13 56.79 1gks s LEU 28 Cb -0.07 -4.47 0.01 0.00 0.01 0.00 0.00 46.19 41.66 1gks s LEU 28 CO 0.50 -2.83 0.11 -0.46 1.01 0.00 0.00 176.35 174.68 1gks n ASN 29 N -4.05 0.01 -3.11 2.29 6.94 -1.24 -4.89 115.26 111.22 1gks n ASN 29 Ca 0.10 -1.08 -0.18 0.00 -0.02 0.00 0.00 54.58 53.40 1gks n ASN 29 Cb 0.53 -1.33 -0.03 0.00 -2.36 0.00 0.00 39.78 36.59 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 -4.08 2.49 -0.33 -2.53 0.00 -1.25 -4.93 120.51 109.87 1gks n ALA 30 Ca -0.24 -3.55 0.11 0.00 0.00 0.00 0.00 53.44 49.76 1gks n ALA 30 Cb 0.56 -0.90 0.23 0.00 0.00 0.00 0.00 19.45 19.34 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 0.18 -0.08 -0.33 0.00 -0.02 -1.26 -0.63 135.00 132.86 1gks n PRO 31 Ca 0.25 1.41 0.17 0.00 -2.02 0.00 0.00 63.50 63.31 1gks n PRO 31 Cb 0.64 -2.20 0.38 0.00 -0.02 0.00 0.00 33.50 32.30 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 0.47 0.00 -0.52 3.07 -1.99 0.26 114.58 115.87 1gks h GLU 32 Ca 0.53 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.25 1gks h GLU 32 Cb 1.01 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.80 1gks h GLU 32 CO -0.90 0.31 -0.52 0.22 -1.40 0.00 0.00 179.01 176.73 1gks h ASP 33 N 0.48 0.00 0.58 1.42 1.82 -1.27 -3.28 116.42 116.17 1gks h ASP 33 Ca 0.64 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 57.09 1gks h ASP 33 Cb 1.26 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.24 1gks h ASP 33 CO -0.52 0.52 -1.55 0.79 -1.61 0.00 0.00 179.24 176.87 1gks n TRP 34 N -3.36 0.84 -0.28 0.28 7.02 0.26 -4.51 117.44 117.68 1gks n TRP 34 Ca 0.01 0.28 0.13 0.00 -1.02 0.00 0.00 57.50 56.90 1gks n TRP 34 Cb 0.67 -1.05 0.25 0.00 -2.42 0.00 0.00 31.31 28.76 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 -2.43 0.43 0.53 6.99 0.00 0.67 -0.31 120.51 126.38 1gks n ALA 35 Ca -0.12 0.86 0.12 0.00 0.00 0.00 0.00 53.44 54.30 1gks n ALA 35 Cb 0.87 -0.64 0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 -5.13 0.64 -4.82 0.00 9.92 -1.26 -4.93 116.55 110.97 1gks n ASP 36 Ca 0.19 -0.05 -0.34 0.00 -0.53 0.00 0.00 54.79 54.06 1gks n ASP 36 Cb 0.64 0.57 -0.07 0.00 -0.64 0.00 0.00 41.12 41.62 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 4.26 0.10 -1.24 0.52 0.57 -4.99 118.95 114.97 1gks s ARG 37 Ca 0.04 1.08 -0.36 0.00 -0.52 0.00 0.00 55.73 55.98 1gks s ARG 37 Cb 0.14 -2.35 -0.15 0.00 0.52 0.00 0.00 34.95 33.10 1gks s ARG 37 CO 0.77 0.07 1.47 -2.30 0.02 0.00 0.00 175.30 175.33 1gks n PRO 38 N -0.33 1.59 -0.17 3.54 -0.02 -1.26 -4.89 135.00 133.46 1gks n PRO 38 Ca 0.05 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 1gks n PRO 38 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 5.34 0.96 -1.97 2.55 4.64 -1.94 -3.44 113.55 119.70 1gks h SER 39 Ca -0.47 -0.35 -0.59 0.00 -0.47 0.00 0.00 61.79 59.91 1gks h SER 39 Cb 1.30 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1gks h SER 39 CO 0.83 1.09 1.49 -1.20 -0.87 0.00 0.00 176.83 178.17 1gks n SER 40 N -4.21 3.26 -0.26 4.97 7.64 -1.26 -4.86 113.62 118.90 1gks n SER 40 Ca 0.01 0.22 0.13 0.00 1.01 0.00 0.00 58.87 60.24 1gks n SER 40 Cb 0.39 -1.55 0.40 0.00 -1.01 0.00 0.00 64.21 62.44 1gks n SER 40 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1gks h VAL 41 N 7.12 0.81 -0.66 0.44 -1.51 -1.96 0.11 116.25 120.60 1gks h VAL 41 Ca -0.41 -0.22 0.12 0.00 -1.23 0.00 0.00 66.70 64.96 1gks h VAL 41 Cb 1.24 0.11 -0.04 0.00 -2.13 0.00 0.00 31.29 30.48 1gks h VAL 41 CO 0.96 0.12 0.44 0.44 -1.23 0.00 0.00 177.57 178.30 1gks h ASP 42 N 0.64 0.36 0.00 4.19 5.19 -1.95 0.75 116.42 125.59 1gks h ASP 42 Ca 0.45 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.80 1gks h ASP 42 Cb 0.79 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 1gks h ASP 42 CO -0.20 0.20 -0.42 -0.33 -3.12 0.00 0.00 179.24 175.38 1gks h GLU 43 N 0.39 0.00 -0.97 3.56 5.08 -1.21 -3.37 114.58 118.06 1gks h GLU 43 Ca 0.31 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.86 1gks h GLU 43 Cb 0.69 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.85 1gks h GLU 43 CO -0.09 0.93 0.61 -0.07 -1.00 0.00 0.00 179.01 179.40 1gks h LEU 44 N -1.00 0.66 -1.32 1.33 3.38 -0.67 0.13 115.31 117.82 1gks h LEU 44 Ca -0.11 0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1gks h LEU 44 Cb 1.04 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1gks h LEU 44 CO -0.07 0.25 0.49 -0.37 0.09 0.00 0.00 178.44 178.83 1gks h VAL 45 N 0.65 1.08 -0.58 1.22 -1.51 -1.03 -1.87 116.25 114.21 1gks h VAL 45 Ca 0.54 -0.30 0.05 0.00 -1.23 0.00 0.00 66.70 65.76 1gks h VAL 45 Cb 0.98 0.14 -0.05 0.00 -2.13 0.00 0.00 31.29 30.23 1gks h VAL 45 CO -0.30 0.16 0.31 -0.33 -1.23 0.00 0.00 177.57 176.18 1gks h GLU 46 N 0.86 0.58 -0.44 5.19 5.08 -0.91 0.50 114.58 125.44 1gks h GLU 46 Ca 0.31 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1gks h GLU 46 Cb 0.13 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1gks h GLU 46 CO -0.09 0.38 0.30 0.77 -1.00 0.00 0.00 179.01 179.37 1gks h SER 47 N 0.60 0.33 -0.00 1.42 0.02 -1.39 -0.88 113.55 113.65 1gks h SER 47 Ca 0.26 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1gks h SER 47 Cb 0.14 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.62 1gks h SER 47 CO -0.16 0.22 -0.26 0.74 -1.14 0.00 0.00 176.83 176.22 1gks h THR 48 N 0.38 1.54 -0.41 -2.27 2.02 0.53 0.23 112.91 114.93 1gks h THR 48 Ca 0.19 -1.94 0.06 0.00 0.77 0.00 0.00 66.41 65.49 1gks h THR 48 Cb 0.28 2.75 -0.06 0.00 -1.74 0.00 0.00 68.15 69.39 1gks h THR 48 CO -0.05 0.53 0.07 -0.07 0.37 0.00 0.00 175.52 176.38 1gks h LEU 49 N -0.48 -0.01 -0.44 2.58 -0.00 -0.06 -0.93 115.31 115.97 1gks h LEU 49 Ca -0.03 0.07 -0.16 0.00 -0.00 0.00 0.00 57.88 57.76 1gks h LEU 49 Cb 1.01 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1gks h LEU 49 CO 0.05 0.03 -0.48 0.00 -0.00 0.00 0.00 178.44 178.04 1gks h ALA 50 N 1.31 0.62 0.00 1.53 0.00 -1.21 -1.68 119.26 119.83 1gks h ALA 50 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1gks h ALA 50 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1gks h ALA 50 CO -0.27 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1gks n GLY 51 N 0.21 1.76 3.64 0.00 0.00 0.82 -4.04 105.19 107.59 1gks n GLY 51 Ca -0.03 -1.90 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 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 0.67 7.56 1.61 2.20 -0.66 -4.76 119.74 123.62 1gks s LYS 52 Ca 0.00 1.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1gks s LYS 52 Cb 0.00 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1gks s LYS 52 CO 0.00 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1gks n GLY 53 N 4.29 4.27 0.06 5.54 0.00 -1.26 -0.37 105.19 117.73 1gks n GLY 53 Ca -0.20 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 12.80 2.74 -1.97 4.61 0.00 -1.26 -4.87 120.51 132.56 1gks n ALA 54 Ca 0.00 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 1gks n ALA 54 Cb 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1gks n ALA 54 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1gks s MET 55 N -3.11 3.93 0.86 0.00 0.00 0.51 -4.98 119.30 116.50 1gks s MET 55 Ca 0.09 2.03 -0.10 0.00 0.00 0.00 0.00 55.69 57.70 1gks s MET 55 Cb 0.14 -4.06 0.11 0.00 0.00 0.00 0.00 34.83 31.02 1gks s MET 55 CO 0.66 -1.15 1.13 -2.14 0.00 0.00 0.00 175.02 173.53 1gks s PRO 56 N 4.54 1.43 -0.09 4.11 0.02 -1.26 -1.65 135.00 142.11 1gks s PRO 56 Ca 0.77 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.94 1gks s PRO 56 Cb -0.31 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 1gks s PRO 56 CO 0.31 -2.31 1.69 0.00 -0.33 0.00 0.00 177.00 176.36 1gks s ALA 57 N -2.69 3.51 -1.64 -1.55 0.00 -1.26 -4.21 121.76 113.93 1gks s ALA 57 Ca 0.65 0.86 0.30 0.00 0.00 0.00 0.00 51.96 53.77 1gks s ALA 57 Cb -0.21 -3.79 1.46 0.00 0.00 0.00 0.00 23.12 20.58 1gks s ALA 57 CO 0.57 -1.57 2.00 0.66 0.00 0.00 0.00 175.76 177.42 1gks n TYR 58 N 7.61 0.00 -1.53 0.00 4.02 -0.37 -4.76 117.16 122.12 1gks n TYR 58 Ca 0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.94 1gks n TYR 58 Cb 0.43 -0.19 -0.10 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.07 1.10 0.00 7.72 2.03 -1.02 -0.34 116.55 124.97 1gks n ASP 59 Ca 0.16 -1.63 0.00 0.00 0.52 0.00 0.00 54.79 53.84 1gks n ASP 59 Cb 0.24 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 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 6.37 2.00 0.12 0.27 0.00 -1.26 -4.95 105.19 107.74 1gks n GLY 60 Ca 0.46 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 0.29 -3.75 1.61 3.08 -0.99 -3.45 114.38 111.17 1gks h ARG 61 Ca 0.00 -0.41 -0.18 0.00 0.07 0.00 0.00 59.98 59.45 1gks h ARG 61 Cb 0.00 0.14 -0.24 0.00 0.08 0.00 0.00 29.97 29.96 1gks h ARG 61 CO 0.00 1.15 -0.65 0.00 -1.07 0.00 0.00 179.97 179.40 1gks s ALA 62 N -2.90 -0.06 0.11 0.04 0.00 -0.78 -4.67 121.76 113.50 1gks s ALA 62 Ca -0.04 -0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 1gks s ALA 62 Cb 0.08 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 1gks s ALA 62 CO 0.87 -0.11 0.70 0.34 0.00 0.00 0.00 175.76 177.56 1gks s ASP 63 N -0.86 7.25 0.17 0.00 -1.08 -1.26 -4.59 116.67 116.29 1gks s ASP 63 Ca -0.09 1.48 0.01 0.00 -0.52 0.00 0.00 52.55 53.43 1gks s ASP 63 Cb -0.06 -2.45 0.42 0.00 -1.46 0.00 0.00 42.92 39.37 1gks s ASP 63 CO -0.00 0.20 0.83 -1.14 0.52 0.00 0.00 175.17 175.58 1gks n ARG 64 N 1.86 -0.04 0.42 4.34 0.63 -1.26 -0.23 116.66 122.38 1gks n ARG 64 Ca -0.07 0.79 -0.19 0.00 -0.92 0.00 0.00 57.85 57.47 1gks n ARG 64 Cb 0.50 -1.26 -0.09 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 -1.00 -0.07 -0.14 4.81 -1.99 0.17 114.58 116.37 1gks h GLU 65 Ca 0.33 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.66 1gks h GLU 65 Cb 0.68 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1gks h GLU 65 CO -0.49 -0.66 -0.25 -0.44 -0.73 0.00 0.00 179.01 176.44 1gks h ASP 66 N -1.05 -0.74 -0.41 1.04 3.32 -0.99 -0.50 116.42 117.10 1gks h ASP 66 Ca -0.11 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.13 1gks h ASP 66 Cb 0.80 0.32 -0.09 0.00 0.22 0.00 0.00 39.33 40.57 1gks h ASP 66 CO 0.17 -0.30 -0.36 -0.07 -1.72 0.00 0.00 179.24 176.96 1gks h LEU 67 N -0.34 -1.21 0.06 1.55 3.38 -1.02 0.16 115.31 117.88 1gks h LEU 67 Ca 0.08 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1gks h LEU 67 Cb 0.46 0.55 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1gks h LEU 67 CO -0.27 -0.34 -0.48 0.58 0.09 0.00 0.00 178.44 178.03 1gks h VAL 68 N -0.28 0.07 -0.89 1.22 2.07 -0.04 0.11 116.25 118.52 1gks h VAL 68 Ca 0.16 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.81 1gks h VAL 68 Cb 0.56 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1gks h VAL 68 CO -0.56 0.00 0.57 0.11 0.02 0.00 0.00 177.57 177.72 1gks h LYS 69 N -0.67 0.71 -0.34 1.57 1.57 -0.47 0.13 116.57 119.07 1gks h LYS 69 Ca 0.02 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1gks h LYS 69 Cb 0.71 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1gks h LYS 69 CO -0.31 0.47 -0.04 0.00 -0.57 0.00 0.00 179.45 179.01 1gks h ALA 70 N 1.59 0.47 -0.22 3.86 0.00 0.27 0.19 119.26 125.41 1gks h ALA 70 Ca 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1gks h ALA 70 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1gks h ALA 70 CO -0.20 0.26 0.10 0.82 0.00 0.00 0.00 179.25 180.24 1gks h ILE 71 N 0.43 1.14 -0.57 0.00 2.04 0.86 0.11 117.51 121.52 1gks h ILE 71 Ca 0.09 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.62 1gks h ILE 71 Cb 0.51 1.01 -0.11 0.00 -0.74 0.00 0.00 36.82 37.50 1gks h ILE 71 CO 0.02 0.14 -0.43 -0.33 0.00 0.00 0.00 178.15 177.56 1gks h GLU 72 N 0.22 -0.22 -0.00 2.37 5.08 -0.74 0.11 114.58 121.40 1gks h GLU 72 Ca 0.08 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1gks h GLU 72 Cb 0.13 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1gks h GLU 72 CO -0.01 -0.15 -0.18 -0.92 -1.00 0.00 0.00 179.01 176.76 1gks h TYR 73 N -0.23 -0.46 -0.74 4.33 5.03 -1.20 0.70 116.97 124.41 1gks h TYR 73 Ca 0.18 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.60 1gks h TYR 73 Cb 0.56 0.20 -0.07 0.00 1.55 0.00 0.00 36.73 38.98 1gks h TYR 73 CO -0.70 -0.25 0.38 0.00 -1.32 0.00 0.00 178.16 176.27 1gks h MET 74 N -0.29 0.63 0.00 1.82 -0.00 0.09 -0.25 114.93 116.94 1gks h MET 74 Ca 0.06 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.70 59.62 1gks h MET 74 Cb 0.36 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.80 1gks h MET 74 CO -0.17 0.42 -0.47 -0.07 -0.00 0.00 0.00 176.91 176.61 1gks h LEU 75 N 0.65 0.00 -3.61 -0.10 3.38 -0.40 -3.27 115.31 111.96 1gks h LEU 75 Ca 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1gks h LEU 75 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1gks h LEU 75 CO -0.26 0.47 -0.04 -1.20 0.09 0.00 0.00 178.44 177.51 1gks n SER 76 N -3.94 3.71 0.00 -0.43 7.64 0.20 -1.88 113.62 118.92 1gks n SER 76 Ca -0.02 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1gks n SER 76 Cb 0.50 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 1.96 0.00 1.22 0.44 -2.24 -1.24 -5.00 114.28 109.43 1gks n THR 77 Ca 0.09 -0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 1gks n THR 77 Cb 0.44 0.66 0.58 0.00 -2.10 0.00 0.00 70.33 69.91 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68