#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 1.44 0.75 0.27 0.00 -1.94 -0.61 103.07 102.97 1gks h GLY 2 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1gks h GLY 2 CO 0.00 -0.15 -0.18 0.83 0.00 0.00 0.00 176.54 177.04 1gks h GLU 3 N 0.51 -0.37 -0.49 4.80 5.08 -1.90 0.20 114.58 122.40 1gks h GLU 3 Ca 0.51 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.99 1gks h GLU 3 Cb 0.84 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.09 1gks h GLU 3 CO -0.44 -0.25 -0.07 0.77 -1.00 0.00 0.00 179.01 178.02 1gks h SER 4 N -0.39 -0.35 0.05 1.42 0.02 -1.60 0.16 113.55 112.87 1gks h SER 4 Ca 0.01 0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.95 1gks h SER 4 Cb 0.38 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1gks h SER 4 CO -0.06 -0.12 -0.51 0.40 -1.14 0.00 0.00 176.83 175.40 1gks h ILE 5 N 0.05 1.32 -0.49 3.27 2.04 -0.92 0.42 117.51 123.21 1gks h ILE 5 Ca 0.24 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1gks h ILE 5 Cb 0.37 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1gks h ILE 5 CO -0.47 0.54 0.30 0.22 0.00 0.00 0.00 178.15 178.75 1gks h TYR 6 N 0.40 0.63 0.00 1.37 3.20 0.51 0.41 116.97 123.49 1gks h TYR 6 Ca 0.02 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.69 1gks h TYR 6 Cb 1.03 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 1gks h TYR 6 CO 0.04 0.42 -1.06 0.82 -1.64 0.00 0.00 178.16 176.74 1gks h ILE 7 N 0.65 1.34 -0.53 1.81 2.04 -0.83 -2.81 117.51 119.18 1gks h ILE 7 Ca 0.18 -2.99 -0.38 0.00 1.00 0.00 0.00 64.86 62.66 1gks h ILE 7 Cb -0.03 2.65 -0.36 0.00 -0.74 0.00 0.00 36.82 38.33 1gks h ILE 7 CO -0.03 0.76 -0.86 0.59 0.00 0.00 0.00 178.15 178.60 1gks n ASN 8 N -3.25 3.46 -1.95 1.72 5.03 0.15 -4.63 115.26 115.80 1gks n ASN 8 Ca -0.03 -3.25 -0.06 0.00 0.87 0.00 0.00 54.58 52.10 1gks n ASN 8 Cb 0.92 -0.40 -0.09 0.00 -1.02 0.00 0.00 39.78 39.19 1gks n ASN 8 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gks n GLY 9 N -0.67 2.42 7.00 7.41 0.00 0.14 -4.75 105.19 116.74 1gks n GLY 9 Ca 0.30 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1gks n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gks n THR 10 N 2.29 0.00 -4.44 2.61 -2.24 -1.26 -4.53 114.28 106.71 1gks n THR 10 Ca 0.23 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.68 1gks n THR 10 Cb 0.62 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.70 1gks n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gks s ALA 11 N -1.90 2.51 1.37 6.98 0.00 -1.26 -2.95 121.76 126.52 1gks s ALA 11 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 51.96 50.68 1gks s ALA 11 Cb 0.00 -1.26 0.35 0.00 0.00 0.00 0.00 23.12 22.21 1gks s ALA 11 CO 0.00 -0.09 0.96 -2.14 0.00 0.00 0.00 175.76 174.49 1gks s PRO 12 N 0.91 -2.55 0.08 0.00 0.02 -1.26 -5.04 135.00 127.15 1gks s PRO 12 Ca -0.03 0.17 -0.24 0.00 0.02 0.00 0.00 61.00 60.91 1gks s PRO 12 Cb -0.15 -1.42 -0.06 0.00 0.02 0.00 0.00 34.50 32.89 1gks s PRO 12 CO -0.01 -4.64 0.73 0.95 -0.33 0.00 0.00 177.00 173.70 1gks s THR 13 N -2.39 4.64 0.13 0.99 -4.23 -1.15 -4.74 115.64 108.89 1gks s THR 13 Ca 0.69 1.57 -0.22 0.00 -1.18 0.00 0.00 61.69 62.55 1gks s THR 13 Cb -0.14 -4.08 -0.02 0.00 1.34 0.00 0.00 72.50 69.61 1gks s THR 13 CO 0.58 0.44 1.67 0.00 -0.54 0.00 0.00 174.62 176.77 1gks h SER 15 N -0.16 -1.84 -1.07 0.00 4.64 -1.77 0.07 113.55 113.42 1gks h SER 15 Ca 0.10 0.27 0.28 0.00 -0.47 0.00 0.00 61.79 61.98 1gks h SER 15 Cb 0.31 0.81 -0.08 0.00 -0.31 0.00 0.00 62.40 63.12 1gks h SER 15 CO -0.25 -0.22 0.70 0.77 -0.87 0.00 0.00 176.83 176.97 1gks h SER 16 N -0.05 0.34 0.00 4.97 4.64 -1.88 0.20 113.55 121.77 1gks h SER 16 Ca 0.13 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1gks h SER 16 Cb 0.38 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1gks h SER 16 CO -0.77 0.06 -0.30 0.00 -0.87 0.00 0.00 176.83 174.95 1gks h HIS 18 N -1.00 -0.10 -0.99 0.00 3.86 -0.78 0.11 115.15 116.25 1gks h HIS 18 Ca -0.00 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.30 1gks h HIS 18 Cb 0.31 0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.73 1gks h HIS 18 CO -0.12 -0.00 0.63 0.22 0.86 0.00 0.00 177.93 179.51 1gks h ASP 19 N -0.17 0.95 0.11 2.45 3.58 -0.82 -0.09 116.42 122.44 1gks h ASP 19 Ca -0.01 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1gks h ASP 19 Cb 0.14 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1gks h ASP 19 CO 0.02 0.56 -0.09 0.54 -2.88 0.00 0.00 179.24 177.39 1gks n ARG 20 N -4.56 1.23 -3.12 0.28 3.00 -1.10 -4.86 116.66 107.53 1gks n ARG 20 Ca 0.17 -0.63 -0.23 0.00 -0.01 0.00 0.00 57.85 57.15 1gks n ARG 20 Cb 0.28 -1.49 0.04 0.00 0.00 0.00 0.00 32.46 31.29 1gks n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gks n GLY 21 N 1.22 -0.52 3.66 -0.13 0.00 -0.05 -4.90 105.19 104.47 1gks n GLY 21 Ca 0.17 0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.51 0.15 -2.66 1.61 0.31 0.17 -0.79 118.33 112.61 1gks n VAL 22 Ca -0.09 -0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.05 1gks n VAL 22 Cb 0.61 -1.48 -0.00 0.00 -0.91 0.00 0.00 33.84 32.06 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 3.12 -0.84 -1.46 3.52 0.00 -1.26 -0.57 120.51 123.01 1gks n ALA 23 Ca 0.16 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.64 1gks n ALA 23 Cb 0.29 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 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 -0.93 0.71 3.69 0.00 0.00 0.03 -4.95 105.19 103.74 1gks n GLY 24 Ca -0.12 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 0.47 1.26 -1.70 4.61 0.00 0.27 -4.85 120.51 120.57 1gks n ALA 25 Ca -0.08 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 1gks n ALA 25 Cb 0.33 -2.27 -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 -1.28 4.14 0.81 0.00 0.04 -1.26 -4.46 135.00 132.99 1gks s PRO 26 Ca 0.60 2.58 -0.12 0.00 0.04 0.00 0.00 61.00 64.11 1gks s PRO 26 Cb -0.60 -4.04 0.08 0.00 0.04 0.00 0.00 34.50 29.98 1gks s PRO 26 CO 0.57 -0.93 1.12 -1.21 0.04 0.00 0.00 177.00 176.59 1gks s GLU 27 N 4.09 1.98 0.82 4.56 2.02 -1.26 -4.83 118.70 126.08 1gks s GLU 27 Ca 0.86 0.47 -0.11 0.00 0.02 0.00 0.00 54.97 56.20 1gks s GLU 27 Cb -0.43 -1.92 0.08 0.00 0.10 0.00 0.00 34.13 31.96 1gks s GLU 27 CO 0.40 -1.65 1.09 -0.51 0.02 0.00 0.00 175.26 174.61 1gks s LEU 28 N -5.74 2.55 -0.98 1.80 2.01 -1.26 -4.00 118.68 113.06 1gks s LEU 28 Ca 0.61 1.40 -0.08 0.00 0.01 0.00 0.00 54.13 56.07 1gks s LEU 28 Cb -0.14 -3.97 0.01 0.00 0.01 0.00 0.00 46.19 42.10 1gks s LEU 28 CO 0.53 -2.13 0.15 -0.46 1.01 0.00 0.00 176.35 175.45 1gks n ASN 29 N -3.55 -0.49 -3.13 2.29 6.94 -1.25 -4.89 115.26 111.18 1gks n ASN 29 Ca 0.07 -0.88 -0.21 0.00 -0.02 0.00 0.00 54.58 53.54 1gks n ASN 29 Cb 0.56 -1.08 -0.05 0.00 -2.36 0.00 0.00 39.78 36.85 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 -3.56 1.86 -0.33 -2.53 0.00 -1.26 -4.90 120.51 109.79 1gks n ALA 30 Ca -0.18 -3.13 0.09 0.00 0.00 0.00 0.00 53.44 50.22 1gks n ALA 30 Cb 0.45 -0.90 0.19 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 1.23 -0.08 -0.34 0.00 -0.02 -1.26 -0.38 135.00 134.14 1gks n PRO 31 Ca 0.20 1.45 0.13 0.00 -2.02 0.00 0.00 63.50 63.26 1gks n PRO 31 Cb 0.57 -2.22 0.32 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.67 0.00 -0.52 3.07 -1.98 0.22 114.58 116.03 1gks h GLU 32 Ca 0.50 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.30 1gks h GLU 32 Cb 0.89 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1gks h GLU 32 CO -0.94 0.44 -0.12 -0.44 -1.40 0.00 0.00 179.01 176.56 1gks h ASP 33 N 0.69 0.00 0.00 1.42 5.19 -1.08 -3.22 116.42 119.41 1gks h ASP 33 Ca 0.58 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.72 1gks h ASP 33 Cb 0.94 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.40 1gks h ASP 33 CO -0.41 0.12 -2.01 0.79 -3.12 0.00 0.00 179.24 174.61 1gks n TRP 34 N -3.51 0.00 -0.32 4.55 7.02 0.22 -4.63 117.44 120.77 1gks n TRP 34 Ca -0.01 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.51 1gks n TRP 34 Cb 0.26 -0.72 0.11 0.00 -2.42 0.00 0.00 31.31 28.54 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 -2.58 0.17 0.18 6.99 0.00 0.51 -0.30 120.51 125.48 1gks n ALA 35 Ca -0.25 0.95 0.08 0.00 0.00 0.00 0.00 53.44 54.22 1gks n ALA 35 Cb 0.97 -0.56 0.11 0.00 0.00 0.00 0.00 19.45 19.97 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 -4.30 0.00 5.19 -1.84 -3.47 116.42 112.01 1gks h ASP 36 Ca 0.41 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 56.32 1gks h ASP 36 Cb 0.63 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.19 1gks h ASP 36 CO -0.90 0.23 0.40 -0.13 -3.12 0.00 0.00 179.24 175.72 1gks s ARG 37 N -3.10 3.60 -0.35 3.56 0.52 0.59 -4.94 118.95 118.82 1gks s ARG 37 Ca 0.06 0.86 -0.33 0.00 -0.52 0.00 0.00 55.73 55.80 1gks s ARG 37 Cb 0.06 -2.08 -0.10 0.00 0.52 0.00 0.00 34.95 33.35 1gks s ARG 37 CO 0.70 -0.57 2.23 -2.30 0.02 0.00 0.00 175.30 175.39 1gks n PRO 38 N -2.42 1.26 -0.20 3.54 -0.02 -1.26 -4.83 135.00 131.07 1gks n PRO 38 Ca 0.07 0.32 0.03 0.00 -2.02 0.00 0.00 63.50 61.89 1gks n PRO 38 Cb 0.54 -2.70 0.29 0.00 -0.02 0.00 0.00 33.50 31.61 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 13.61 0.78 -1.88 2.55 0.02 -1.90 -3.41 113.55 123.32 1gks h SER 39 Ca -0.30 -0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.08 1gks h SER 39 Cb 1.30 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1gks h SER 39 CO 1.03 0.54 1.53 -1.20 -1.14 0.00 0.00 176.83 177.58 1gks n SER 40 N -4.45 3.03 -0.32 3.07 7.64 -1.26 -4.87 113.62 116.46 1gks n SER 40 Ca 0.09 0.05 0.14 0.00 1.01 0.00 0.00 58.87 60.17 1gks n SER 40 Cb 0.12 -1.56 0.32 0.00 -1.01 0.00 0.00 64.21 62.08 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 7.28 0.51 -0.50 0.44 2.07 -2.00 0.51 116.25 124.56 1gks h VAL 41 Ca -0.37 -0.16 0.15 0.00 0.82 0.00 0.00 66.70 67.13 1gks h VAL 41 Cb 1.25 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1gks h VAL 41 CO 1.00 0.08 0.46 0.44 0.02 0.00 0.00 177.57 179.58 1gks h ASP 42 N 0.47 0.00 0.01 0.57 5.19 -1.94 0.70 116.42 121.41 1gks h ASP 42 Ca 0.58 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.81 1gks h ASP 42 Cb 1.08 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 1gks h ASP 42 CO -0.50 0.00 -0.97 -0.33 -3.12 0.00 0.00 179.24 174.32 1gks h GLU 43 N 0.00 0.02 -1.00 3.56 3.07 -1.25 -3.38 114.58 115.60 1gks h GLU 43 Ca 0.24 -0.03 0.20 0.00 -0.50 0.00 0.00 59.36 59.27 1gks h GLU 43 Cb 1.16 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.97 1gks h GLU 43 CO -0.00 1.01 0.61 -0.07 -1.40 0.00 0.00 179.01 179.16 1gks h LEU 44 N -0.95 0.74 -1.69 1.33 3.38 -1.00 0.15 115.31 117.27 1gks h LEU 44 Ca -0.26 0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1gks h LEU 44 Cb 1.26 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1gks h LEU 44 CO -0.14 0.26 0.25 -0.37 0.09 0.00 0.00 178.44 178.53 1gks h VAL 45 N 0.72 1.04 -0.03 1.22 -1.51 -1.08 -0.77 116.25 115.84 1gks h VAL 45 Ca 0.57 -0.14 -0.00 0.00 -1.23 0.00 0.00 66.70 65.90 1gks h VAL 45 Cb 0.95 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1gks h VAL 45 CO -0.36 0.08 0.01 -0.33 -1.23 0.00 0.00 177.57 175.73 1gks h GLU 46 N 0.41 0.05 -0.58 5.19 4.39 -0.87 0.37 114.58 123.54 1gks h GLU 46 Ca 0.15 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.95 1gks h GLU 46 Cb 0.09 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.65 1gks h GLU 46 CO -0.03 0.24 0.10 0.77 -1.16 0.00 0.00 179.01 178.92 1gks h SER 47 N -0.15 -0.04 -0.45 1.42 0.02 -1.38 0.13 113.55 113.10 1gks h SER 47 Ca 0.01 0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 1gks h SER 47 Cb 0.21 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1gks h SER 47 CO -0.00 -0.01 -0.06 0.74 -1.14 0.00 0.00 176.83 176.36 1gks h THR 48 N 0.23 1.27 0.59 -2.27 2.02 -0.78 0.27 112.91 114.24 1gks h THR 48 Ca 0.30 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 1gks h THR 48 Cb 0.45 1.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1gks h THR 48 CO -0.40 0.39 -0.29 -0.07 0.37 0.00 0.00 175.52 175.52 1gks h LEU 49 N 0.67 -0.68 -0.44 2.58 3.38 0.44 -2.62 115.31 118.65 1gks h LEU 49 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1gks h LEU 49 Cb 0.58 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1gks h LEU 49 CO 0.03 -0.45 -0.64 0.00 0.09 0.00 0.00 178.44 177.48 1gks h ALA 50 N -0.46 0.74 0.00 1.53 0.00 -1.04 0.12 119.26 120.16 1gks h ALA 50 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1gks h ALA 50 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gks h ALA 50 CO 0.13 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.59 1gks n GLY 51 N 0.75 1.78 3.19 0.00 0.00 0.94 -3.95 105.19 107.90 1gks n GLY 51 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.53 0.52 6.35 1.61 2.20 0.14 -4.73 119.74 123.29 1gks s LYS 52 Ca 0.00 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1gks s LYS 52 Cb 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1gks s LYS 52 CO 0.00 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1gks n GLY 53 N 5.42 2.36 0.15 5.54 0.00 -1.26 -0.51 105.19 116.90 1gks n GLY 53 Ca -0.04 0.33 -0.03 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 -0.95 0.91 -2.24 4.61 0.00 -1.96 -3.44 119.26 116.19 1gks h ALA 54 Ca 0.00 -0.56 -0.55 0.00 0.00 0.00 0.00 54.91 53.80 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 0.76 1.17 1.41 0.00 0.00 0.00 179.25 182.59 1gks s MET 55 N -3.67 4.03 0.64 0.00 0.00 0.34 -4.98 119.30 115.65 1gks s MET 55 Ca -0.03 2.23 -0.13 0.00 0.00 0.00 0.00 55.69 57.77 1gks s MET 55 Cb 0.12 -4.08 -0.02 0.00 0.00 0.00 0.00 34.83 30.85 1gks s MET 55 CO 0.78 -1.05 1.05 -1.25 0.00 0.00 0.00 175.02 174.55 1gks s PRO 56 N 4.45 3.22 0.35 4.11 0.04 -1.26 -0.69 135.00 145.22 1gks s PRO 56 Ca 0.80 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1gks s PRO 56 Cb -0.35 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 1gks s PRO 56 CO 0.34 -0.88 1.46 0.00 0.04 0.00 0.00 177.00 177.96 1gks s ALA 57 N -2.79 3.59 -0.80 8.56 0.00 -1.25 -4.31 121.76 124.75 1gks s ALA 57 Ca 0.60 1.50 0.07 0.00 0.00 0.00 0.00 51.96 54.12 1gks s ALA 57 Cb -0.14 -3.59 0.05 0.00 0.00 0.00 0.00 23.12 19.44 1gks s ALA 57 CO 0.46 -0.95 0.69 0.66 0.00 0.00 0.00 175.76 176.62 1gks n TYR 58 N 0.87 0.00 -1.64 0.00 4.01 0.25 -4.91 117.16 115.74 1gks n TYR 58 Ca 0.02 0.00 -0.58 0.00 -0.16 0.00 0.00 57.90 57.18 1gks n TYR 58 Cb 0.40 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.30 2.07 0.00 7.72 2.03 -0.26 -0.11 116.55 128.30 1gks n ASP 59 Ca 0.04 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.32 1gks n ASP 59 Cb 0.16 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 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 4.77 3.10 0.12 0.27 0.00 -1.26 -4.78 105.19 107.41 1gks n GLY 60 Ca 0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 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 1.57 0.15 -5.10 1.61 3.08 -0.89 -3.44 114.38 111.35 1gks h ARG 61 Ca 0.00 -0.25 -0.66 0.00 0.07 0.00 0.00 59.98 59.13 1gks h ARG 61 Cb 0.00 0.09 -0.34 0.00 0.08 0.00 0.00 29.97 29.80 1gks h ARG 61 CO 0.00 1.12 -0.86 0.00 -1.07 0.00 0.00 179.97 179.16 1gks s ALA 62 N -2.45 2.23 0.43 0.04 0.00 -0.08 -4.98 121.76 116.95 1gks s ALA 62 Ca -0.24 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 50.37 1gks s ALA 62 Cb 0.06 -1.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.04 1gks s ALA 62 CO 0.69 -0.16 1.12 0.34 0.00 0.00 0.00 175.76 177.76 1gks s ASP 63 N 1.02 6.43 0.07 0.00 2.15 -1.26 -4.62 116.67 120.46 1gks s ASP 63 Ca -0.02 2.20 -0.04 0.00 0.43 0.00 0.00 52.55 55.12 1gks s ASP 63 Cb -0.14 -2.60 0.09 0.00 -0.30 0.00 0.00 42.92 39.97 1gks s ASP 63 CO -0.06 -0.73 0.44 -1.14 -0.17 0.00 0.00 175.17 173.51 1gks n ARG 64 N -0.28 -0.05 -0.10 4.34 3.00 -1.26 0.20 116.66 122.51 1gks n ARG 64 Ca 0.06 0.44 -0.10 0.00 -0.00 0.00 0.00 57.85 58.24 1gks n ARG 64 Cb 0.49 -0.65 -0.03 0.00 0.00 0.00 0.00 32.46 32.26 1gks n ARG 64 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1gks h GLU 65 N 0.00 0.49 -0.13 -0.14 4.57 -1.98 0.10 114.58 117.49 1gks h GLU 65 Ca 0.11 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1gks h GLU 65 Cb 0.18 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1gks h GLU 65 CO -0.28 0.59 0.07 -0.44 -1.18 0.00 0.00 179.01 177.76 1gks h ASP 66 N 0.32 0.17 0.21 1.04 3.32 -0.61 -0.72 116.42 120.15 1gks h ASP 66 Ca 0.09 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1gks h ASP 66 Cb 0.33 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1gks h ASP 66 CO 0.01 0.23 -0.51 -0.07 -1.72 0.00 0.00 179.24 177.18 1gks h LEU 67 N 0.09 -1.49 -0.73 1.55 3.38 -0.72 -0.19 115.31 117.20 1gks h LEU 67 Ca 0.05 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1gks h LEU 67 Cb 0.11 0.54 -0.11 0.00 0.09 0.00 0.00 40.66 41.29 1gks h LEU 67 CO -0.01 -0.58 -0.56 0.58 0.09 0.00 0.00 178.44 177.97 1gks h VAL 68 N -0.80 0.01 -0.80 1.22 2.07 -0.65 0.11 116.25 117.40 1gks h VAL 68 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1gks h VAL 68 Cb 0.78 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 1gks h VAL 68 CO -0.23 0.00 0.45 0.11 0.02 0.00 0.00 177.57 177.92 1gks h LYS 69 N -0.18 0.73 0.31 1.57 1.57 -0.72 0.19 116.57 120.04 1gks h LYS 69 Ca 0.14 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1gks h LYS 69 Cb 0.51 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1gks h LYS 69 CO -0.78 0.48 -0.15 0.00 -0.57 0.00 0.00 179.45 178.43 1gks h ALA 70 N 1.45 -0.41 -0.69 3.86 0.00 0.73 -1.87 119.26 122.33 1gks h ALA 70 Ca 0.39 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1gks h ALA 70 Cb 0.37 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1gks h ALA 70 CO -0.25 -0.64 0.35 0.82 0.00 0.00 0.00 179.25 179.53 1gks h ILE 71 N -0.59 0.88 0.26 0.00 2.04 -0.49 0.85 117.51 120.46 1gks h ILE 71 Ca -0.04 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1gks h ILE 71 Cb 0.43 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1gks h ILE 71 CO 0.07 0.11 -0.31 -0.33 0.00 0.00 0.00 178.15 177.69 1gks h GLU 72 N 0.62 -0.59 -0.14 2.37 4.39 -0.50 0.82 114.58 121.54 1gks h GLU 72 Ca 0.33 0.04 0.04 0.00 0.34 0.00 0.00 59.36 60.11 1gks h GLU 72 Cb 0.30 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1gks h GLU 72 CO -0.24 -0.39 -0.12 -0.92 -1.16 0.00 0.00 179.01 176.18 1gks h TYR 73 N -0.61 -0.29 -0.10 4.33 3.20 -0.78 0.11 116.97 122.82 1gks h TYR 73 Ca -0.00 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1gks h TYR 73 Cb 0.58 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 1gks h TYR 73 CO -0.21 -0.18 -0.43 1.98 -1.64 0.00 0.00 178.16 177.68 1gks h MET 74 N -0.13 -0.45 -0.72 1.82 4.05 -0.52 -1.14 114.93 117.84 1gks h MET 74 Ca 0.09 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.63 1gks h MET 74 Cb 0.27 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.12 1gks h MET 74 CO -0.22 -0.30 0.47 -0.07 0.23 0.00 0.00 176.91 177.02 1gks h LEU 75 N -0.46 0.57 0.00 3.39 4.07 -0.66 -1.66 115.31 120.56 1gks h LEU 75 Ca 0.02 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1gks h LEU 75 Cb 0.54 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1gks h LEU 75 CO -0.34 0.35 0.00 -1.20 -1.08 0.00 0.00 178.44 176.16 1gks n SER 76 N -4.49 0.00 0.06 -0.43 7.64 0.37 -1.11 113.62 115.67 1gks n SER 76 Ca 0.12 0.21 0.12 0.00 1.01 0.00 0.00 58.87 60.33 1gks n SER 76 Cb 0.32 -0.28 0.19 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.28 0.35 0.81 0.44 -2.24 -0.62 -5.06 114.28 106.68 1gks n THR 77 Ca 0.02 -0.26 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1gks n THR 77 Cb 0.03 -0.14 0.39 0.00 -2.10 0.00 0.00 70.33 68.51 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68