#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 0.59 5.00 6.12 0.00 -1.26 -4.57 105.19 111.07 1gks n GLY 2 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1gks n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gks n GLU 3 N -2.68 0.00 -0.07 1.61 4.71 -1.26 -4.56 120.64 118.40 1gks n GLU 3 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1gks n GLU 3 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.41 1gks n GLU 3 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1gks n SER 4 N 1.37 -0.17 -0.20 1.62 3.41 -1.26 -1.02 113.62 117.37 1gks n SER 4 Ca 0.00 0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 58.96 1gks n SER 4 Cb 0.00 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.06 -0.16 -1.33 2.04 -1.80 0.39 117.51 116.70 1gks h ILE 5 Ca 0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1gks h ILE 5 Cb 0.07 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1gks h ILE 5 CO -0.15 0.00 -0.02 0.22 0.00 0.00 0.00 178.15 178.20 1gks h TYR 6 N -0.25 0.33 -0.13 1.37 3.20 -1.38 -1.68 116.97 118.42 1gks h TYR 6 Ca 0.16 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1gks h TYR 6 Cb 0.56 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1gks h TYR 6 CO -0.73 0.54 -0.12 0.82 -1.64 0.00 0.00 178.16 177.03 1gks h ILE 7 N 0.02 1.35 0.00 1.81 2.04 -0.55 -3.15 117.51 119.04 1gks h ILE 7 Ca 0.04 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1gks h ILE 7 Cb 0.42 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1gks h ILE 7 CO 0.01 0.36 0.00 -0.46 0.00 0.00 0.00 178.15 178.07 1gks n ASN 8 N -4.61 0.00 -2.02 1.72 0.23 0.83 -4.50 115.26 106.92 1gks n ASN 8 Ca -0.06 -0.49 -0.23 0.00 -0.53 0.00 0.00 54.58 53.26 1gks n ASN 8 Cb 0.34 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.18 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 5.18 3.12 4.83 0.00 0.99 -4.91 105.19 114.40 1gks n GLY 9 Ca 0.00 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.88 0.80 -0.21 2.61 -4.23 -0.96 -4.66 115.64 105.11 1gks s THR 10 Ca 0.56 -1.22 -0.02 0.00 -1.18 0.00 0.00 61.69 59.83 1gks s THR 10 Cb 0.47 -0.86 0.06 0.00 1.34 0.00 0.00 72.50 73.51 1gks s THR 10 CO 0.04 -0.34 0.01 0.00 -0.54 0.00 0.00 174.62 173.79 1gks s ALA 11 N -1.44 1.33 0.96 3.99 0.00 -1.26 -2.45 121.76 122.89 1gks s ALA 11 Ca -0.05 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 1gks s ALA 11 Cb -0.09 -1.28 0.17 0.00 0.00 0.00 0.00 23.12 21.92 1gks s ALA 11 CO 0.01 -1.20 1.10 -1.25 0.00 0.00 0.00 175.76 174.42 1gks s PRO 12 N 1.70 0.70 0.10 0.00 0.04 -1.26 -4.66 135.00 131.61 1gks s PRO 12 Ca -0.02 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.93 1gks s PRO 12 Cb -0.18 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 1gks s PRO 12 CO -0.08 -2.75 1.40 0.95 0.04 0.00 0.00 177.00 176.56 1gks s THR 13 N -2.67 3.34 0.15 1.26 -4.23 -1.02 -4.94 115.64 107.53 1gks s THR 13 Ca 0.66 0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 61.95 1gks s THR 13 Cb -0.22 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 70.03 1gks s THR 13 CO 0.59 0.06 1.80 0.00 -0.54 0.00 0.00 174.62 176.53 1gks n SER 15 N -4.87 -0.75 -0.52 0.00 3.41 -1.19 -1.47 113.62 108.24 1gks n SER 15 Ca 0.01 1.52 0.42 0.00 -0.26 0.00 0.00 58.87 60.56 1gks n SER 15 Cb 0.05 -0.27 0.69 0.00 -0.26 0.00 0.00 64.21 64.43 1gks n SER 15 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1gks n SER 16 N -5.17 0.15 -0.07 4.04 7.64 -1.19 -0.62 113.62 118.41 1gks n SER 16 Ca 0.05 1.24 -0.10 0.00 1.01 0.00 0.00 58.87 61.07 1gks n SER 16 Cb 0.28 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 1gks n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gks h HIS 18 N -0.77 0.00 0.00 0.00 3.86 -0.96 0.18 115.15 117.45 1gks h HIS 18 Ca -0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1gks h HIS 18 Cb 0.92 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 1gks h HIS 18 CO -0.28 0.09 -0.14 -0.44 0.86 0.00 0.00 177.93 178.02 1gks h ASP 19 N 0.00 0.00 0.00 2.45 3.32 -1.09 -3.29 116.42 117.81 1gks h ASP 19 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1gks h ASP 19 Cb 0.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1gks h ASP 19 CO 0.01 0.14 -1.74 0.54 -1.72 0.00 0.00 179.24 176.47 1gks n ARG 20 N -3.22 1.13 -2.24 3.56 1.74 -0.50 -4.98 116.66 112.16 1gks n ARG 20 Ca 0.01 -0.07 -0.04 0.00 -0.77 0.00 0.00 57.85 56.98 1gks n ARG 20 Cb 0.44 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 1.96 0.34 3.74 -0.13 0.00 0.51 -4.99 105.19 106.61 1gks n GLY 21 Ca -0.11 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.73 2.08 -2.31 1.61 3.14 -1.14 -1.09 118.33 116.89 1gks n VAL 22 Ca -0.03 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.71 1gks n VAL 22 Cb 0.53 -1.76 -0.01 0.00 -1.06 0.00 0.00 33.84 31.53 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 0.30 -0.69 -1.46 1.55 0.00 -1.26 -0.80 120.51 118.16 1gks n ALA 23 Ca 0.03 0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.53 1gks n ALA 23 Cb 0.38 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.76 0.63 3.70 0.00 0.00 -0.25 -4.86 105.19 103.66 1gks n GLY 24 Ca -0.15 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.69 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 0.40 2.18 -1.88 4.61 0.00 0.02 -4.88 120.51 120.96 1gks n ALA 25 Ca -0.06 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 1gks n ALA 25 Cb 0.31 -2.44 -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 0.82 4.17 0.79 0.00 0.04 -1.26 -4.31 135.00 135.25 1gks s PRO 26 Ca 0.75 2.37 -0.04 0.00 0.04 0.00 0.00 61.00 64.12 1gks s PRO 26 Cb -0.58 -3.90 0.15 0.00 0.04 0.00 0.00 34.50 30.22 1gks s PRO 26 CO 0.37 -0.84 1.09 -1.21 0.04 0.00 0.00 177.00 176.44 1gks s GLU 27 N 3.68 1.35 0.81 4.56 2.02 -1.26 -4.89 118.70 124.97 1gks s GLU 27 Ca 0.78 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 1gks s GLU 27 Cb -0.38 -2.21 0.08 0.00 0.10 0.00 0.00 34.13 31.71 1gks s GLU 27 CO 0.34 -1.73 1.10 -0.51 0.02 0.00 0.00 175.26 174.47 1gks s LEU 28 N -5.34 2.87 -1.15 1.80 2.01 -1.26 -3.99 118.68 113.62 1gks s LEU 28 Ca 0.69 1.80 -0.08 0.00 0.01 0.00 0.00 54.13 56.54 1gks s LEU 28 Cb -0.04 -4.41 0.01 0.00 0.01 0.00 0.00 46.19 41.75 1gks s LEU 28 CO 0.47 -2.25 0.16 -0.46 1.01 0.00 0.00 176.35 175.27 1gks n ASN 29 N -3.66 -0.40 -3.16 2.29 6.94 -1.23 -4.89 115.26 111.15 1gks n ASN 29 Ca 0.09 -1.02 -0.20 0.00 -0.02 0.00 0.00 54.58 53.43 1gks n ASN 29 Cb 0.53 -1.25 -0.04 0.00 -2.36 0.00 0.00 39.78 36.66 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 -3.95 1.99 -0.34 -2.53 0.00 -1.26 -4.94 120.51 109.48 1gks n ALA 30 Ca -0.21 -3.28 0.05 0.00 0.00 0.00 0.00 53.44 50.00 1gks n ALA 30 Cb 0.52 -0.90 0.12 0.00 0.00 0.00 0.00 19.45 19.19 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 0.78 -0.10 -0.35 0.00 -0.02 -1.26 -0.32 135.00 133.73 1gks n PRO 31 Ca 0.22 1.45 0.16 0.00 -2.02 0.00 0.00 63.50 63.32 1gks n PRO 31 Cb 0.61 -2.17 0.37 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 0.61 0.00 -0.52 4.39 -1.99 0.26 114.58 117.33 1gks h GLU 32 Ca 0.43 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.06 1gks h GLU 32 Cb 0.67 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1gks h GLU 32 CO -0.96 0.40 -0.18 -0.44 -1.16 0.00 0.00 179.01 176.68 1gks h ASP 33 N 0.63 0.00 0.00 1.42 5.19 -1.05 -3.15 116.42 119.46 1gks h ASP 33 Ca 0.63 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.79 1gks h ASP 33 Cb 1.14 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.60 1gks h ASP 33 CO -0.45 0.18 -2.22 0.79 -3.12 0.00 0.00 179.24 174.42 1gks n TRP 34 N -4.13 0.00 -0.32 4.55 7.02 0.46 -4.58 117.44 120.44 1gks n TRP 34 Ca -0.02 0.00 0.21 0.00 -1.02 0.00 0.00 57.50 56.66 1gks n TRP 34 Cb 0.25 -0.82 0.39 0.00 -2.42 0.00 0.00 31.31 28.72 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 -2.57 0.68 0.45 6.99 0.00 0.61 -0.35 120.51 126.33 1gks n ALA 35 Ca -0.23 0.99 0.11 0.00 0.00 0.00 0.00 53.44 54.31 1gks n ALA 35 Cb 0.96 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.61 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 -5.29 0.63 -4.74 0.00 9.92 -1.26 -4.91 116.55 110.90 1gks n ASP 36 Ca 0.28 -0.05 -0.40 0.00 -0.53 0.00 0.00 54.79 54.09 1gks n ASP 36 Cb 0.93 0.71 -0.05 0.00 -0.64 0.00 0.00 41.12 42.06 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 -3.24 4.51 -0.48 -1.24 0.52 0.53 -4.97 118.95 114.58 1gks s ARG 37 Ca 0.03 1.10 -0.31 0.00 -0.52 0.00 0.00 55.73 56.03 1gks s ARG 37 Cb 0.13 -3.38 -0.11 0.00 0.52 0.00 0.00 34.95 32.12 1gks s ARG 37 CO 0.79 0.24 2.35 -2.30 0.02 0.00 0.00 175.30 176.40 1gks n PRO 38 N 2.94 1.01 0.28 3.54 -0.02 -1.26 -4.81 135.00 136.68 1gks n PRO 38 Ca -0.02 0.18 0.16 0.00 -2.02 0.00 0.00 63.50 61.81 1gks n PRO 38 Cb 0.50 -2.72 0.92 0.00 -0.02 0.00 0.00 33.50 32.18 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 14.95 0.00 -1.06 2.55 0.02 -1.93 -3.41 113.55 124.67 1gks h SER 39 Ca -0.24 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.19 1gks h SER 39 Cb 1.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1gks h SER 39 CO 1.11 0.00 1.63 -1.20 -1.14 0.00 0.00 176.83 177.23 1gks n SER 40 N -3.76 1.73 -0.28 3.07 7.64 -1.26 -4.83 113.62 115.93 1gks n SER 40 Ca -0.02 -0.12 0.09 0.00 1.01 0.00 0.00 58.87 59.84 1gks n SER 40 Cb 0.15 -1.33 0.23 0.00 -1.01 0.00 0.00 64.21 62.25 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 7.66 0.43 -0.43 0.44 2.07 -1.99 0.18 116.25 124.61 1gks h VAL 41 Ca -0.20 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.36 1gks h VAL 41 Cb 1.29 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1gks h VAL 41 CO 1.19 0.05 0.33 0.44 0.02 0.00 0.00 177.57 179.60 1gks h ASP 42 N 0.26 0.00 0.00 0.57 5.19 -1.95 0.94 116.42 121.43 1gks h ASP 42 Ca 0.48 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.76 1gks h ASP 42 Cb 0.89 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 1gks h ASP 42 CO -0.57 0.00 -0.76 -0.08 -3.12 0.00 0.00 179.24 174.71 1gks h GLU 43 N 0.00 0.00 -0.96 3.56 4.81 -1.05 -3.38 114.58 117.56 1gks h GLU 43 Ca 0.21 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.63 1gks h GLU 43 Cb 0.86 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.13 1gks h GLU 43 CO -0.00 0.93 0.54 -0.07 -0.73 0.00 0.00 179.01 179.67 1gks h LEU 44 N -1.00 0.65 -1.92 1.64 3.38 -0.26 0.17 115.31 117.97 1gks h LEU 44 Ca -0.20 0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1gks h LEU 44 Cb 1.13 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1gks h LEU 44 CO -0.12 0.19 0.08 -0.37 0.09 0.00 0.00 178.44 178.31 1gks h VAL 45 N 0.65 1.00 0.00 1.22 -1.51 -1.03 -0.00 116.25 116.58 1gks h VAL 45 Ca 0.56 -0.04 -0.00 0.00 -1.23 0.00 0.00 66.70 66.00 1gks h VAL 45 Cb 0.93 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1gks h VAL 45 CO -0.42 0.02 -0.00 -0.33 -1.23 0.00 0.00 177.57 175.61 1gks h GLU 46 N 0.11 -0.00 -0.82 5.19 5.08 -0.83 0.32 114.58 123.61 1gks h GLU 46 Ca 0.05 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1gks h GLU 46 Cb 0.06 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 1gks h GLU 46 CO -0.01 0.23 0.44 0.77 -1.00 0.00 0.00 179.01 179.44 1gks h SER 47 N -0.24 0.58 -0.27 1.42 0.02 -1.28 0.40 113.55 114.18 1gks h SER 47 Ca -0.00 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1gks h SER 47 Cb 0.24 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1gks h SER 47 CO 0.00 0.30 -0.12 0.74 -1.14 0.00 0.00 176.83 176.61 1gks h THR 48 N 0.69 1.29 -0.25 -2.27 2.02 -0.66 0.27 112.91 114.01 1gks h THR 48 Ca 0.42 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1gks h THR 48 Cb 0.49 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1gks h THR 48 CO -0.30 0.38 0.14 -0.07 0.37 0.00 0.00 175.52 176.04 1gks h LEU 49 N 0.31 0.31 -0.18 2.58 3.38 0.31 -1.42 115.31 120.61 1gks h LEU 49 Ca 0.06 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1gks h LEU 49 Cb 0.63 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1gks h LEU 49 CO 0.04 0.31 -0.93 0.00 0.09 0.00 0.00 178.44 177.95 1gks h ALA 50 N 1.01 0.46 0.00 1.53 0.00 -0.95 -0.42 119.26 120.89 1gks h ALA 50 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1gks h ALA 50 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1gks h ALA 50 CO -0.01 1.06 0.00 0.41 0.00 0.00 0.00 179.25 180.71 1gks n GLY 51 N 1.08 2.19 3.50 0.00 0.00 0.94 -4.05 105.19 108.85 1gks n GLY 51 Ca -0.02 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.10 0.53 6.58 1.61 2.20 -0.93 -4.76 119.74 121.87 1gks s LYS 52 Ca 0.00 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1gks s LYS 52 Cb 0.00 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.71 1gks s LYS 52 CO 0.00 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1gks n GLY 53 N 4.91 2.78 0.15 5.54 0.00 -1.26 -0.28 105.19 117.04 1gks n GLY 53 Ca -0.15 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.94 0.77 -2.47 4.61 0.00 -1.95 -3.46 119.26 115.81 1gks h ALA 54 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1gks h ALA 54 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.82 1gks h ALA 54 CO 0.00 0.00 1.08 1.41 0.00 0.00 0.00 179.25 181.74 1gks s MET 55 N -3.25 4.16 0.69 0.00 0.00 0.62 -4.98 119.30 116.55 1gks s MET 55 Ca 0.05 2.49 -0.12 0.00 0.00 0.00 0.00 55.69 58.10 1gks s MET 55 Cb 0.08 -3.66 0.01 0.00 0.00 0.00 0.00 34.83 31.27 1gks s MET 55 CO 0.71 -0.81 1.08 -1.25 0.00 0.00 0.00 175.02 174.75 1gks s PRO 56 N 2.89 2.78 -0.21 4.11 0.04 -1.26 -2.19 135.00 141.16 1gks s PRO 56 Ca 0.79 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 1gks s PRO 56 Cb -0.43 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1gks s PRO 56 CO 0.35 -1.23 1.71 0.00 0.04 0.00 0.00 177.00 177.87 1gks s ALA 57 N -2.78 3.22 -1.26 8.56 0.00 -1.26 -4.15 121.76 124.09 1gks s ALA 57 Ca 0.61 0.55 0.29 0.00 0.00 0.00 0.00 51.96 53.42 1gks s ALA 57 Cb -0.16 -3.88 1.40 0.00 0.00 0.00 0.00 23.12 20.47 1gks s ALA 57 CO 0.50 -2.05 2.00 0.66 0.00 0.00 0.00 175.76 176.87 1gks n TYR 58 N 8.80 0.00 -1.49 0.00 4.02 -0.32 -4.77 117.16 123.40 1gks n TYR 58 Ca 0.20 0.00 -0.55 0.00 -0.01 0.00 0.00 57.90 57.54 1gks n TYR 58 Cb 0.45 -0.37 -0.08 0.00 -0.02 0.00 0.00 39.34 39.32 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 1.93 0.00 7.72 2.03 -0.34 -0.04 116.55 126.47 1gks n ASP 59 Ca 0.11 0.68 0.00 0.00 0.52 0.00 0.00 54.79 56.10 1gks n ASP 59 Cb 0.28 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 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 6.00 2.96 0.07 0.27 0.00 -1.26 -4.82 105.19 108.42 1gks n GLY 60 Ca 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 0.65 0.02 -4.69 1.61 -0.00 -0.76 -3.45 114.38 107.76 1gks h ARG 61 Ca 0.00 -0.02 -0.46 0.00 -0.50 0.00 0.00 59.98 58.99 1gks h ARG 61 Cb 0.00 0.01 -0.31 0.00 0.00 0.00 0.00 29.97 29.66 1gks h ARG 61 CO 0.00 0.90 -0.80 0.00 0.00 0.00 0.00 179.97 180.07 1gks s ALA 62 N -2.68 1.03 0.44 0.04 0.00 -0.44 -4.78 121.76 115.36 1gks s ALA 62 Ca -0.18 -0.39 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 1gks s ALA 62 Cb -0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 23.12 22.61 1gks s ALA 62 CO 0.69 0.15 0.99 0.34 0.00 0.00 0.00 175.76 177.94 1gks s ASP 63 N 0.27 6.75 0.11 0.00 2.15 -1.26 -4.51 116.67 120.17 1gks s ASP 63 Ca -0.05 1.83 -0.03 0.00 0.43 0.00 0.00 52.55 54.72 1gks s ASP 63 Cb -0.10 -2.56 0.17 0.00 -0.30 0.00 0.00 42.92 40.13 1gks s ASP 63 CO 0.01 -0.49 0.60 -1.14 -0.17 0.00 0.00 175.17 173.98 1gks n ARG 64 N -0.57 -0.04 -0.13 4.34 0.63 -1.26 0.32 116.66 119.95 1gks n ARG 64 Ca 0.07 0.60 -0.12 0.00 -0.92 0.00 0.00 57.85 57.48 1gks n ARG 64 Cb 0.53 -0.90 -0.00 0.00 0.45 0.00 0.00 32.46 32.54 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 0.94 0.29 -0.14 4.39 -1.98 0.15 114.58 118.23 1gks h GLU 65 Ca 0.18 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 1gks h GLU 65 Cb 0.28 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1gks h GLU 65 CO -0.40 1.11 -0.17 -0.44 -1.16 0.00 0.00 179.01 177.96 1gks h ASP 66 N 0.79 -0.41 -0.06 1.42 3.32 -0.49 -1.02 116.42 119.97 1gks h ASP 66 Ca 0.08 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1gks h ASP 66 Cb 0.89 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.50 1gks h ASP 66 CO 0.08 -0.27 -0.52 -0.07 -1.72 0.00 0.00 179.24 176.74 1gks h LEU 67 N -0.43 -1.61 -0.71 1.55 3.38 -0.98 -0.28 115.31 116.22 1gks h LEU 67 Ca -0.03 0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1gks h LEU 67 Cb 0.35 0.62 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 1gks h LEU 67 CO 0.04 -0.50 -0.50 0.58 0.09 0.00 0.00 178.44 178.16 1gks h VAL 68 N -0.62 0.03 -0.31 1.22 2.07 -0.56 0.18 116.25 118.27 1gks h VAL 68 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1gks h VAL 68 Cb 0.70 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1gks h VAL 68 CO -0.39 0.00 0.21 0.11 0.02 0.00 0.00 177.57 177.52 1gks h LYS 69 N -0.17 0.24 0.10 1.57 1.79 -0.46 0.79 116.57 120.42 1gks h LYS 69 Ca 0.17 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1gks h LYS 69 Cb 0.53 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1gks h LYS 69 CO -0.78 0.16 -0.05 0.00 -1.08 0.00 0.00 179.45 177.71 1gks h ALA 70 N 1.83 -0.13 -1.00 3.86 0.00 0.90 0.24 119.26 124.97 1gks h ALA 70 Ca 0.13 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1gks h ALA 70 Cb 0.21 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1gks h ALA 70 CO -0.03 -0.25 0.62 0.82 0.00 0.00 0.00 179.25 180.42 1gks h ILE 71 N -0.77 0.82 0.03 0.00 2.04 -0.19 -0.66 117.51 118.77 1gks h ILE 71 Ca -0.01 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1gks h ILE 71 Cb 0.57 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1gks h ILE 71 CO 0.02 0.16 -0.38 -0.33 0.00 0.00 0.00 178.15 177.62 1gks h GLU 72 N 0.87 -0.54 0.10 2.37 4.39 -0.92 0.96 114.58 121.82 1gks h GLU 72 Ca 0.53 0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.29 1gks h GLU 72 Cb 0.70 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1gks h GLU 72 CO -0.31 -0.36 -0.23 -0.92 -1.16 0.00 0.00 179.01 176.03 1gks h TYR 73 N -0.56 -0.61 -0.24 4.33 3.20 -1.26 0.21 116.97 122.04 1gks h TYR 73 Ca 0.05 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1gks h TYR 73 Cb 0.63 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 39.09 1gks h TYR 73 CO -0.38 -0.33 -0.49 1.98 -1.64 0.00 0.00 178.16 177.30 1gks h MET 74 N -0.42 -0.43 -0.53 1.82 4.05 -0.82 -1.50 114.93 117.11 1gks h MET 74 Ca 0.03 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1gks h MET 74 Cb 0.45 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 1gks h MET 74 CO -0.14 -0.28 0.26 -0.07 0.23 0.00 0.00 176.91 176.91 1gks h LEU 75 N -0.44 0.65 0.00 3.39 3.38 -0.70 -2.33 115.31 119.27 1gks h LEU 75 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gks h LEU 75 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1gks h LEU 75 CO -0.46 0.55 0.00 -1.20 0.09 0.00 0.00 178.44 177.42 1gks n SER 76 N -4.38 0.00 0.04 -0.43 7.64 0.05 -1.27 113.62 115.27 1gks n SER 76 Ca 0.05 0.19 0.12 0.00 1.01 0.00 0.00 58.87 60.23 1gks n SER 76 Cb 0.12 -0.25 0.18 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.25 0.26 0.93 0.44 -2.24 -0.87 -5.05 114.28 106.50 1gks n THR 77 Ca 0.02 -0.21 0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1gks n THR 77 Cb 0.03 -0.04 0.44 0.00 -2.10 0.00 0.00 70.33 68.66 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68