#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 1.73 0.58 0.27 0.00 -1.97 0.72 103.07 104.41 1gks h GLY 2 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.10 1gks h GLY 2 CO 0.00 -0.25 -0.22 0.83 0.00 0.00 0.00 176.54 176.90 1gks h GLU 3 N 0.50 -0.39 -0.13 4.80 5.08 -1.92 0.36 114.58 122.89 1gks h GLU 3 Ca 0.60 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 59.04 1gks h GLU 3 Cb 1.14 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1gks h GLU 3 CO -0.50 -0.26 -0.26 0.77 -1.00 0.00 0.00 179.01 177.77 1gks h SER 4 N -0.40 -0.80 0.23 1.42 0.02 -1.34 0.14 113.55 112.82 1gks h SER 4 Ca 0.04 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1gks h SER 4 Cb 0.44 0.35 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 1gks h SER 4 CO -0.14 -0.31 -0.41 0.40 -1.14 0.00 0.00 176.83 175.23 1gks h ILE 5 N -0.33 0.18 -0.18 3.27 2.04 -0.97 0.19 117.51 121.70 1gks h ILE 5 Ca 0.10 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1gks h ILE 5 Cb 0.48 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1gks h ILE 5 CO -0.31 0.00 0.02 0.22 0.00 0.00 0.00 178.15 178.08 1gks h TYR 6 N -0.71 0.04 -0.01 1.37 5.03 -0.65 0.13 116.97 122.16 1gks h TYR 6 Ca 0.00 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 1gks h TYR 6 Cb 0.70 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.99 1gks h TYR 6 CO -0.31 0.00 -0.18 0.82 -1.32 0.00 0.00 178.16 177.18 1gks h ILE 7 N 0.09 1.55 0.00 1.81 2.04 -0.57 -2.83 117.51 119.59 1gks h ILE 7 Ca 0.08 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1gks h ILE 7 Cb 0.09 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1gks h ILE 7 CO -0.12 0.50 -0.22 -0.46 0.00 0.00 0.00 178.15 177.85 1gks n ASN 8 N -4.57 1.12 0.09 1.72 0.23 0.20 -4.61 115.26 109.43 1gks n ASN 8 Ca -0.09 -0.02 -0.13 0.00 -0.53 0.00 0.00 54.58 53.80 1gks n ASN 8 Cb 0.46 0.27 -0.08 0.00 -2.08 0.00 0.00 39.78 38.35 1gks n ASN 8 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1gks h GLY 9 N 0.00 0.32 -1.98 4.83 0.00 -0.03 -3.46 103.07 102.74 1gks h GLY 9 Ca 0.00 -0.66 -0.49 0.00 0.00 0.00 0.00 47.33 46.18 1gks h GLY 9 CO 0.00 0.58 0.40 -0.51 0.00 0.00 0.00 176.54 177.01 1gks s THR 10 N -2.97 3.59 -0.21 4.70 -4.23 0.38 -4.98 115.64 111.91 1gks s THR 10 Ca -0.04 0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 61.35 1gks s THR 10 Cb 0.08 -3.37 0.08 0.00 1.34 0.00 0.00 72.50 70.63 1gks s THR 10 CO 0.86 -0.28 0.12 0.00 -0.54 0.00 0.00 174.62 174.78 1gks s ALA 11 N -2.05 0.39 0.66 3.99 0.00 -1.26 -2.46 121.76 121.03 1gks s ALA 11 Ca 0.68 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 1gks s ALA 11 Cb -0.19 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 1gks s ALA 11 CO 0.27 -1.33 1.16 -2.30 0.00 0.00 0.00 175.76 173.55 1gks n PRO 12 N 5.28 0.92 -1.94 0.00 -0.02 -1.26 -4.81 135.00 133.17 1gks n PRO 12 Ca -0.06 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1gks n PRO 12 Cb 0.47 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.51 3.11 0.19 3.45 -4.23 -1.03 -4.91 115.64 110.71 1gks s THR 13 Ca 0.80 0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 61.71 1gks s THR 13 Cb -0.38 -3.33 0.12 0.00 1.34 0.00 0.00 72.50 70.24 1gks s THR 13 CO 0.44 -0.01 1.74 0.00 -0.54 0.00 0.00 174.62 176.25 1gks h SER 15 N 0.36 -1.22 -0.92 0.00 4.64 -1.76 -1.47 113.55 113.18 1gks h SER 15 Ca 0.27 0.30 0.22 0.00 -0.47 0.00 0.00 61.79 62.11 1gks h SER 15 Cb 0.32 0.69 -0.17 0.00 -0.31 0.00 0.00 62.40 62.92 1gks h SER 15 CO -0.28 -0.30 -0.10 -1.20 -0.87 0.00 0.00 176.83 174.08 1gks n SER 16 N -5.53 -0.21 -0.10 4.97 7.64 -1.02 -0.63 113.62 118.74 1gks n SER 16 Ca 0.12 1.58 -0.15 0.00 1.01 0.00 0.00 58.87 61.43 1gks n SER 16 Cb 0.44 -0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.00 0.00 0.00 0.00 3.86 -1.07 0.36 115.15 117.31 1gks h HIS 18 Ca -0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1gks h HIS 18 Cb 1.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1gks h HIS 18 CO -0.12 0.14 0.00 -0.44 0.86 0.00 0.00 177.93 178.37 1gks h ASP 19 N 0.00 0.00 0.00 2.45 3.32 -1.09 -3.32 116.42 117.77 1gks h ASP 19 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1gks h ASP 19 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1gks h ASP 19 CO 0.02 0.00 -0.52 0.54 -1.72 0.00 0.00 179.24 177.56 1gks n ARG 20 N -2.66 3.42 -2.32 3.56 1.74 -0.50 -4.97 116.66 114.93 1gks n ARG 20 Ca 0.03 -0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 1gks n ARG 20 Cb 0.36 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 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 1.75 0.43 3.67 -0.13 0.00 0.12 -4.98 105.19 106.06 1gks n GLY 21 Ca -0.00 -0.65 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.54 0.52 -2.68 1.61 0.31 -0.86 -0.81 118.33 112.88 1gks n VAL 22 Ca -0.02 -0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.03 1gks n VAL 22 Cb 0.52 -1.51 -0.00 0.00 -0.91 0.00 0.00 33.84 31.94 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 2.58 -0.86 -1.35 3.52 0.00 -1.26 -0.86 120.51 122.28 1gks n ALA 23 Ca 0.14 0.10 -0.05 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 17.84 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 0.61 3.69 0.00 0.00 0.01 -4.73 105.19 103.86 1gks n GLY 24 Ca -0.11 -0.82 -0.44 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 0.57 1.91 -1.84 4.61 0.00 -0.04 -4.88 120.51 120.84 1gks n ALA 25 Ca -0.05 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 1gks n ALA 25 Cb 0.24 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 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 0.52 4.12 0.85 0.00 0.04 -1.26 -4.34 135.00 134.92 1gks s PRO 26 Ca 0.74 2.37 -0.07 0.00 0.04 0.00 0.00 61.00 64.07 1gks s PRO 26 Cb -0.60 -4.08 0.18 0.00 0.04 0.00 0.00 34.50 30.04 1gks s PRO 26 CO 0.40 -0.95 1.16 -1.21 0.04 0.00 0.00 177.00 176.44 1gks s GLU 27 N 4.32 1.04 0.82 4.56 2.02 -1.26 -4.88 118.70 125.33 1gks s GLU 27 Ca 0.81 -0.96 -0.11 0.00 0.02 0.00 0.00 54.97 54.73 1gks s GLU 27 Cb -0.37 -2.12 0.09 0.00 0.10 0.00 0.00 34.13 31.82 1gks s GLU 27 CO 0.35 -1.99 1.12 -0.51 0.02 0.00 0.00 175.26 174.26 1gks s LEU 28 N -5.50 2.99 -1.07 1.80 2.01 -1.25 -3.90 118.68 113.76 1gks s LEU 28 Ca 0.72 2.02 -0.11 0.00 0.01 0.00 0.00 54.13 56.76 1gks s LEU 28 Cb -0.03 -4.55 0.02 0.00 0.01 0.00 0.00 46.19 41.64 1gks s LEU 28 CO 0.49 -2.48 0.21 -0.46 1.01 0.00 0.00 176.35 175.12 1gks n ASN 29 N -3.71 -0.84 -3.09 2.29 6.94 -1.24 -4.89 115.26 110.71 1gks n ASN 29 Ca 0.11 -0.98 -0.18 0.00 -0.02 0.00 0.00 54.58 53.51 1gks n ASN 29 Cb 0.52 -1.20 -0.02 0.00 -2.36 0.00 0.00 39.78 36.72 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 -3.87 2.43 -0.33 -2.53 0.00 -1.25 -4.94 120.51 110.02 1gks n ALA 30 Ca -0.18 -3.48 0.10 0.00 0.00 0.00 0.00 53.44 49.88 1gks n ALA 30 Cb 0.49 -0.91 0.20 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.34 0.00 -0.02 -1.26 -0.59 135.00 132.89 1gks n PRO 31 Ca 0.24 1.41 0.19 0.00 -2.02 0.00 0.00 63.50 63.31 1gks n PRO 31 Cb 0.66 -2.18 0.40 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.51 0.00 -0.52 3.07 -1.99 0.25 114.58 115.90 1gks h GLU 32 Ca 0.50 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 59.20 1gks h GLU 32 Cb 0.92 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1gks h GLU 32 CO -0.91 0.34 -0.62 0.22 -1.40 0.00 0.00 179.01 176.64 1gks h ASP 33 N 0.53 0.00 0.63 1.42 1.82 -1.25 -3.28 116.42 116.28 1gks h ASP 33 Ca 0.66 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 57.12 1gks h ASP 33 Cb 1.31 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.28 1gks h ASP 33 CO -0.50 0.62 -1.50 0.79 -1.61 0.00 0.00 179.24 177.03 1gks n TRP 34 N -3.50 0.91 -0.26 0.28 7.02 0.30 -4.52 117.44 117.67 1gks n TRP 34 Ca 0.00 0.31 0.11 0.00 -1.02 0.00 0.00 57.50 56.89 1gks n TRP 34 Cb 0.69 -1.08 0.21 0.00 -2.42 0.00 0.00 31.31 28.71 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 -2.42 0.36 0.53 6.99 0.00 0.60 -0.59 120.51 125.99 1gks n ALA 35 Ca -0.11 0.79 0.10 0.00 0.00 0.00 0.00 53.44 54.22 1gks n ALA 35 Cb 0.86 -0.57 0.14 0.00 0.00 0.00 0.00 19.45 19.88 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 -5.03 2.96 -4.88 0.00 9.92 -1.26 -4.99 116.55 113.27 1gks n ASP 36 Ca 0.17 -1.89 -0.30 0.00 -0.53 0.00 0.00 54.79 52.24 1gks n ASP 36 Cb 0.55 -0.11 -0.01 0.00 -0.64 0.00 0.00 41.12 40.91 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 -1.51 3.66 -0.20 -1.24 0.52 0.25 -4.97 118.95 115.47 1gks s ARG 37 Ca 0.29 0.56 -0.38 0.00 -0.52 0.00 0.00 55.73 55.67 1gks s ARG 37 Cb 0.18 -2.23 -0.15 0.00 0.52 0.00 0.00 34.95 33.27 1gks s ARG 37 CO 0.26 -0.32 1.76 -2.30 0.02 0.00 0.00 175.30 174.72 1gks n PRO 38 N -2.18 1.44 -0.22 3.54 -0.02 -1.26 -4.87 135.00 131.43 1gks n PRO 38 Ca 0.04 0.53 -0.06 0.00 -2.02 0.00 0.00 63.50 61.99 1gks n PRO 38 Cb 0.54 -2.25 0.09 0.00 -0.02 0.00 0.00 33.50 31.86 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 7.57 1.00 -3.47 2.55 0.02 -1.93 -3.42 113.55 115.87 1gks h SER 39 Ca -0.47 -0.20 -0.54 0.00 -0.84 0.00 0.00 61.79 59.74 1gks h SER 39 Cb 1.31 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 1gks h SER 39 CO 0.95 0.96 0.26 -0.44 -1.14 0.00 0.00 176.83 177.42 1gks s SER 40 N -6.49 7.32 0.28 3.07 0.01 -1.26 -4.94 113.70 111.70 1gks s SER 40 Ca -0.11 1.59 0.02 0.00 1.31 0.00 0.00 55.95 58.75 1gks s SER 40 Cb 0.15 -2.52 0.60 0.00 0.21 0.00 0.00 66.02 64.46 1gks s SER 40 CO 0.84 -0.08 1.80 0.58 0.41 0.00 0.00 173.24 176.79 1gks h VAL 41 N 4.27 0.81 -0.54 3.43 2.07 -1.99 0.11 116.25 124.41 1gks h VAL 41 Ca -0.43 -0.28 0.16 0.00 0.82 0.00 0.00 66.70 66.96 1gks h VAL 41 Cb 1.21 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1gks h VAL 41 CO 0.72 0.15 0.40 0.44 0.02 0.00 0.00 177.57 179.31 1gks h ASP 42 N 0.83 0.00 0.00 0.57 5.19 -1.96 0.92 116.42 121.97 1gks h ASP 42 Ca 0.51 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.88 1gks h ASP 42 Cb 0.66 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 1gks h ASP 42 CO -0.32 0.00 -0.25 -0.33 -3.12 0.00 0.00 179.24 175.22 1gks h GLU 43 N 0.00 0.00 -1.00 3.56 5.08 -1.17 -3.37 114.58 117.69 1gks h GLU 43 Ca 0.26 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.79 1gks h GLU 43 Cb 1.06 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.20 1gks h GLU 43 CO -0.00 0.75 0.61 -0.07 -1.00 0.00 0.00 179.01 179.29 1gks h LEU 44 N -1.00 0.80 -1.59 1.33 3.38 -0.44 0.13 115.31 117.92 1gks h LEU 44 Ca -0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1gks h LEU 44 Cb 0.83 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1gks h LEU 44 CO -0.04 0.31 0.25 -0.37 0.09 0.00 0.00 178.44 178.69 1gks h VAL 45 N 0.80 1.11 -0.02 1.22 -1.51 -1.03 0.11 116.25 116.93 1gks h VAL 45 Ca 0.56 -0.22 -0.00 0.00 -1.23 0.00 0.00 66.70 65.81 1gks h VAL 45 Cb 0.81 0.54 -0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1gks h VAL 45 CO -0.36 0.11 0.01 -0.33 -1.23 0.00 0.00 177.57 175.76 1gks h GLU 46 N 0.54 0.02 -0.58 5.19 4.39 -0.90 0.16 114.58 123.40 1gks h GLU 46 Ca 0.14 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.95 1gks h GLU 46 Cb -0.04 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.52 1gks h GLU 46 CO -0.03 0.14 0.12 0.77 -1.16 0.00 0.00 179.01 178.85 1gks h SER 47 N -0.10 0.00 -0.91 1.42 0.02 -1.10 0.31 113.55 113.20 1gks h SER 47 Ca 0.01 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1gks h SER 47 Cb 0.12 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1gks h SER 47 CO -0.00 0.02 0.53 0.74 -1.14 0.00 0.00 176.83 176.98 1gks h THR 48 N 0.26 1.25 -0.72 -2.27 2.02 -0.16 0.13 112.91 113.41 1gks h THR 48 Ca 0.30 -0.58 -0.48 0.00 0.77 0.00 0.00 66.41 66.42 1gks h THR 48 Cb 0.43 -0.00 -0.29 0.00 -1.74 0.00 0.00 68.15 66.55 1gks h THR 48 CO -0.38 0.27 -0.03 0.00 0.37 0.00 0.00 175.52 175.75 1gks n LEU 49 N -4.37 5.63 0.00 2.58 -0.00 0.49 -1.55 117.00 119.78 1gks n LEU 49 Ca 0.10 -4.29 0.00 0.00 -0.00 0.00 0.00 56.01 51.82 1gks n LEU 49 Cb 0.07 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 42.85 1gks n LEU 49 CO 0.38 1.63 -0.42 0.00 -0.00 0.00 0.00 177.39 178.99 1gks n ALA 50 N -0.91 2.45 0.00 1.47 0.00 0.10 -4.49 120.51 119.12 1gks n ALA 50 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1gks n ALA 50 Cb 0.93 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.80 1gks n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gks n GLY 51 N 2.98 2.96 3.48 0.00 0.00 0.41 -4.55 105.19 110.47 1gks n GLY 51 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.44 0.61 7.08 1.61 2.20 -1.19 -4.90 119.74 120.71 1gks s LYS 52 Ca 0.00 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1gks s LYS 52 Cb 0.00 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1gks s LYS 52 CO 0.00 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1gks n GLY 53 N 3.84 3.59 0.93 5.54 0.00 -1.26 -0.49 105.19 117.35 1gks n GLY 53 Ca -0.19 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 12.13 2.45 -2.15 4.61 0.00 -1.26 -4.97 120.51 131.31 1gks n ALA 54 Ca 0.00 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 1gks n ALA 54 Cb 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.78 4.24 0.55 0.00 0.00 0.36 -5.00 119.30 117.67 1gks s MET 55 Ca 0.28 2.03 -0.18 0.00 0.00 0.00 0.00 55.69 57.82 1gks s MET 55 Cb 0.19 -3.73 -0.05 0.00 0.00 0.00 0.00 34.83 31.24 1gks s MET 55 CO 0.28 -0.69 1.06 -1.25 0.00 0.00 0.00 175.02 174.42 1gks s PRO 56 N 3.08 3.47 -0.11 4.11 0.04 -1.26 -3.16 135.00 141.17 1gks s PRO 56 Ca 0.66 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 1gks s PRO 56 Cb -0.31 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1gks s PRO 56 CO 0.26 -0.70 1.55 0.00 0.04 0.00 0.00 177.00 178.15 1gks s ALA 57 N -2.21 3.57 -2.00 8.56 0.00 -1.26 -4.68 121.76 123.75 1gks s ALA 57 Ca 0.66 0.73 0.21 0.00 0.00 0.00 0.00 51.96 53.56 1gks s ALA 57 Cb -0.17 -3.73 1.25 0.00 0.00 0.00 0.00 23.12 20.47 1gks s ALA 57 CO 0.30 -1.43 1.70 0.66 0.00 0.00 0.00 175.76 176.99 1gks n TYR 58 N 7.22 0.00 -1.45 0.00 4.02 -0.60 -4.83 117.16 121.52 1gks n TYR 58 Ca 0.17 0.00 -0.56 0.00 -0.01 0.00 0.00 57.90 57.50 1gks n TYR 58 Cb 0.44 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.67 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 -0.90 1.70 0.00 7.72 2.03 -1.26 0.04 116.55 125.88 1gks n ASP 59 Ca 0.16 0.67 0.00 0.00 0.52 0.00 0.00 54.79 56.14 1gks n ASP 59 Cb 0.07 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 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 6.26 2.78 0.12 0.27 0.00 -1.26 -4.78 105.19 108.59 1gks n GLY 60 Ca 0.42 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 0.31 -3.10 1.61 -0.00 -0.72 -3.43 114.38 109.04 1gks h ARG 61 Ca 0.00 -0.23 -0.25 0.00 -0.50 0.00 0.00 59.98 58.99 1gks h ARG 61 Cb 0.00 0.04 -0.33 0.00 0.00 0.00 0.00 29.97 29.68 1gks h ARG 61 CO 0.00 0.86 -0.59 0.00 0.00 0.00 0.00 179.97 180.24 1gks s ALA 62 N -3.75 -0.30 0.55 0.04 0.00 -0.09 -4.69 121.76 113.52 1gks s ALA 62 Ca -0.14 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 1gks s ALA 62 Cb 0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 1gks s ALA 62 CO 0.76 -0.39 1.00 0.34 0.00 0.00 0.00 175.76 177.47 1gks s ASP 63 N 1.81 6.41 0.13 0.00 2.15 -1.26 -4.36 116.67 121.56 1gks s ASP 63 Ca -0.03 1.59 -0.03 0.00 0.43 0.00 0.00 52.55 54.51 1gks s ASP 63 Cb -0.12 -2.51 0.22 0.00 -0.30 0.00 0.00 42.92 40.22 1gks s ASP 63 CO -0.07 -0.74 0.73 -1.14 -0.17 0.00 0.00 175.17 173.79 1gks n ARG 64 N -1.85 -0.04 -0.23 4.34 0.63 -1.26 0.47 116.66 118.72 1gks n ARG 64 Ca 0.07 0.73 -0.08 0.00 -0.92 0.00 0.00 57.85 57.64 1gks n ARG 64 Cb 0.54 -1.09 0.03 0.00 0.45 0.00 0.00 32.46 32.39 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 1.03 0.69 -0.14 4.39 -1.99 0.14 114.58 118.69 1gks h GLU 65 Ca 0.23 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1gks h GLU 65 Cb 0.35 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1gks h GLU 65 CO -0.48 0.93 -0.33 -0.44 -1.16 0.00 0.00 179.01 177.53 1gks h ASP 66 N 0.95 -0.78 -0.46 1.42 3.32 -0.33 -3.19 116.42 117.35 1gks h ASP 66 Ca 0.20 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.31 1gks h ASP 66 Cb 0.37 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 40.03 1gks h ASP 66 CO 0.00 -0.47 -0.48 -0.07 -1.72 0.00 0.00 179.24 176.51 1gks h LEU 67 N -1.08 -1.61 -0.99 1.55 3.38 -0.82 -2.23 115.31 113.51 1gks h LEU 67 Ca -0.09 0.24 0.14 0.00 0.09 0.00 0.00 57.88 58.25 1gks h LEU 67 Cb 0.74 0.69 -0.15 0.00 0.09 0.00 0.00 40.66 42.03 1gks h LEU 67 CO 0.16 -0.37 -0.43 0.52 0.09 0.00 0.00 178.44 178.40 1gks n VAL 68 N -5.40 -0.56 -0.19 1.22 0.31 0.49 -0.26 118.33 113.94 1gks n VAL 68 Ca -0.01 2.34 0.00 0.00 -0.01 0.00 0.00 64.34 66.66 1gks n VAL 68 Cb 0.35 -3.05 0.24 0.00 -0.91 0.00 0.00 33.84 30.47 1gks n VAL 68 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1gks h LYS 69 N 0.00 0.95 0.03 5.55 1.57 -1.40 0.57 116.57 123.83 1gks h LYS 69 Ca 0.31 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1gks h LYS 69 Cb 0.55 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1gks h LYS 69 CO -0.97 0.66 -0.01 0.00 -0.57 0.00 0.00 179.45 178.55 1gks h ALA 70 N 1.51 -0.04 -0.09 3.86 0.00 -0.29 -2.86 119.26 121.35 1gks h ALA 70 Ca 0.26 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1gks h ALA 70 Cb -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1gks h ALA 70 CO -0.05 -0.25 -0.08 0.82 0.00 0.00 0.00 179.25 179.69 1gks h ILE 71 N -0.59 0.76 -0.84 0.00 2.04 -0.50 0.75 117.51 119.13 1gks h ILE 71 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1gks h ILE 71 Cb 0.54 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1gks h ILE 71 CO 0.01 0.00 0.56 1.05 0.00 0.00 0.00 178.15 179.77 1gks h GLU 72 N -0.10 1.11 0.10 2.37 4.11 -0.98 0.14 114.58 121.33 1gks h GLU 72 Ca 0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1gks h GLU 72 Cb 0.19 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1gks h GLU 72 CO -0.15 0.73 -0.09 -0.92 0.07 0.00 0.00 179.01 178.65 1gks h TYR 73 N 1.14 -0.22 -0.09 2.06 3.20 -1.21 0.77 116.97 122.62 1gks h TYR 73 Ca 0.31 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.22 1gks h TYR 73 Cb -0.13 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.17 1gks h TYR 73 CO -0.01 -0.13 -0.24 1.98 -1.64 0.00 0.00 178.16 178.11 1gks h MET 74 N -0.20 -0.32 -0.86 1.82 4.05 -0.13 -2.03 114.93 117.27 1gks h MET 74 Ca 0.00 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1gks h MET 74 Cb 0.18 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.01 1gks h MET 74 CO -0.02 -0.21 0.56 -0.07 0.23 0.00 0.00 176.91 177.41 1gks h LEU 75 N -0.33 0.90 0.00 3.39 3.38 -0.55 -2.44 115.31 119.66 1gks h LEU 75 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1gks h LEU 75 Cb 0.46 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1gks h LEU 75 CO -0.28 0.60 0.00 -1.54 0.09 0.00 0.00 178.44 177.31 1gks n SER 76 N -4.46 0.00 0.03 -0.43 3.41 0.25 -1.14 113.62 111.28 1gks n SER 76 Ca 0.12 0.18 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 1gks n SER 76 Cb 0.14 -0.26 0.28 0.00 -0.26 0.00 0.00 64.21 64.11 1gks n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1gks n THR 77 N -1.26 0.20 1.12 6.66 -2.24 -0.92 -5.05 114.28 112.78 1gks n THR 77 Ca 0.03 -0.14 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 1gks n THR 77 Cb 0.04 -0.08 0.53 0.00 -2.10 0.00 0.00 70.33 68.72 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68