#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 -0.23 0.51 6.12 0.00 -1.26 -4.71 105.19 105.63 1gks n GLY 2 Ca 0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1gks n GLY 2 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gks h GLU 3 N 0.00 -1.25 -0.65 1.61 3.07 -1.91 0.09 114.58 115.55 1gks h GLU 3 Ca -0.07 0.08 0.13 0.00 -0.50 0.00 0.00 59.36 59.01 1gks h GLU 3 Cb 0.83 0.28 -0.10 0.00 -0.84 0.00 0.00 28.75 28.93 1gks h GLU 3 CO 0.00 -0.83 0.09 0.77 -1.40 0.00 0.00 179.01 177.65 1gks h SER 4 N -1.33 -0.10 0.56 1.42 0.02 -1.99 0.17 113.55 112.30 1gks h SER 4 Ca -0.13 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1gks h SER 4 Cb 0.99 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1gks h SER 4 CO 0.22 -0.05 -0.41 0.40 -1.14 0.00 0.00 176.83 175.84 1gks h ILE 5 N 0.20 0.17 -0.30 3.27 2.04 -1.80 0.23 117.51 121.33 1gks h ILE 5 Ca 0.35 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.25 1gks h ILE 5 Cb 0.56 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1gks h ILE 5 CO -0.48 0.00 0.08 0.22 0.00 0.00 0.00 178.15 177.97 1gks h TYR 6 N -0.94 0.14 -0.06 1.37 5.03 -0.05 -1.17 116.97 121.29 1gks h TYR 6 Ca -0.06 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 1gks h TYR 6 Cb 0.79 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.05 1gks h TYR 6 CO -0.15 0.05 -0.05 0.82 -1.32 0.00 0.00 178.16 177.51 1gks h ILE 7 N 0.20 1.36 0.00 1.81 2.04 -0.61 -2.73 117.51 119.57 1gks h ILE 7 Ca 0.14 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1gks h ILE 7 Cb 0.13 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1gks h ILE 7 CO -0.16 0.32 0.00 -0.46 0.00 0.00 0.00 178.15 177.85 1gks n ASN 8 N -4.75 0.00 -2.27 1.72 2.04 0.24 -4.52 115.26 107.72 1gks n ASN 8 Ca -0.07 -0.47 -0.31 0.00 -0.44 0.00 0.00 54.58 53.29 1gks n ASN 8 Cb 0.28 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.63 1gks n ASN 8 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1gks n GLY 9 N 0.00 5.41 3.07 4.83 0.00 0.57 -4.88 105.19 114.18 1gks n GLY 9 Ca 0.00 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.27 0.49 -0.18 2.61 -4.23 -1.14 -4.67 115.64 104.26 1gks s THR 10 Ca 0.61 -1.18 -0.02 0.00 -1.18 0.00 0.00 61.69 59.92 1gks s THR 10 Cb 0.48 -0.72 0.05 0.00 1.34 0.00 0.00 72.50 73.66 1gks s THR 10 CO 0.02 -0.47 0.01 0.00 -0.54 0.00 0.00 174.62 173.64 1gks s ALA 11 N -1.73 1.16 0.95 3.99 0.00 -1.26 -2.56 121.76 122.32 1gks s ALA 11 Ca -0.08 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1gks s ALA 11 Cb -0.08 -1.16 0.17 0.00 0.00 0.00 0.00 23.12 22.05 1gks s ALA 11 CO -0.01 -1.05 1.12 -1.25 0.00 0.00 0.00 175.76 174.57 1gks s PRO 12 N 1.78 0.72 0.11 0.00 0.04 -1.26 -4.78 135.00 131.61 1gks s PRO 12 Ca -0.01 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 1gks s PRO 12 Cb -0.17 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 1gks s PRO 12 CO -0.07 -2.77 1.45 0.95 0.04 0.00 0.00 177.00 176.59 1gks s THR 13 N -2.64 3.19 0.16 1.26 -4.23 -1.06 -4.93 115.64 107.40 1gks s THR 13 Ca 0.67 0.82 -0.15 0.00 -1.18 0.00 0.00 61.69 61.84 1gks s THR 13 Cb -0.23 -3.53 0.04 0.00 1.34 0.00 0.00 72.50 70.12 1gks s THR 13 CO 0.59 0.05 1.77 0.00 -0.54 0.00 0.00 174.62 176.49 1gks n SER 15 N -4.95 -0.69 -0.38 0.00 3.41 -1.03 -1.25 113.62 108.73 1gks n SER 15 Ca 0.02 1.68 0.31 0.00 -0.26 0.00 0.00 58.87 60.61 1gks n SER 15 Cb 0.11 -0.35 0.57 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.36 0.00 4.04 0.02 -1.87 0.17 113.55 116.28 1gks h SER 16 Ca 0.30 0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 61.32 1gks h SER 16 Cb 0.54 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1gks h SER 16 CO -0.94 -0.19 -1.11 0.00 -1.14 0.00 0.00 176.83 173.44 1gks h HIS 18 N -1.00 0.00 0.46 0.00 3.86 -1.12 0.14 115.15 117.48 1gks h HIS 18 Ca -0.16 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 1gks h HIS 18 Cb 0.97 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1gks h HIS 18 CO -0.24 0.22 -0.22 0.22 0.86 0.00 0.00 177.93 178.77 1gks h ASP 19 N 0.00 -0.52 0.72 2.45 3.58 -0.88 -3.20 116.42 118.57 1gks h ASP 19 Ca -0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1gks h ASP 19 Cb 0.68 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1gks h ASP 19 CO 0.03 -0.32 -0.91 -2.11 -2.88 0.00 0.00 179.24 173.06 1gks n ARG 20 N -5.32 0.38 -2.08 0.28 -4.01 -1.22 -4.85 116.66 99.83 1gks n ARG 20 Ca -0.11 0.06 0.00 0.00 -1.04 0.00 0.00 57.85 56.75 1gks n ARG 20 Cb 0.27 -1.69 0.00 0.00 -3.04 0.00 0.00 32.46 28.01 1gks n ARG 20 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1gks n GLY 21 N 1.30 0.66 3.75 2.89 0.00 0.32 -4.98 105.19 109.13 1gks n GLY 21 Ca 0.02 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.53 2.36 -2.34 1.61 3.14 -0.22 -1.25 118.33 120.08 1gks n VAL 22 Ca 0.00 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.75 1gks n VAL 22 Cb 0.47 -1.81 -0.01 0.00 -1.06 0.00 0.00 33.84 31.43 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 0.10 -0.72 -1.67 1.55 0.00 -1.26 -0.65 120.51 117.85 1gks n ALA 23 Ca 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 1gks n ALA 23 Cb 0.39 -1.52 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 0.53 3.75 0.00 0.00 -0.38 -4.97 105.19 103.35 1gks n GLY 24 Ca -0.15 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.08 2.34 -1.66 4.61 0.00 0.17 -4.85 120.51 121.03 1gks n ALA 25 Ca -0.09 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1gks n ALA 25 Cb 0.41 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 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 -1.15 3.87 1.01 0.00 0.04 -1.26 -4.40 135.00 133.11 1gks s PRO 26 Ca 0.60 2.44 -0.16 0.00 0.04 0.00 0.00 61.00 63.92 1gks s PRO 26 Cb -0.50 -4.22 0.20 0.00 0.04 0.00 0.00 34.50 30.03 1gks s PRO 26 CO 0.55 -1.26 1.22 -1.21 0.04 0.00 0.00 177.00 176.34 1gks s GLU 27 N 4.96 0.33 0.12 4.56 8.01 -1.26 -4.86 118.70 130.55 1gks s GLU 27 Ca 0.91 -0.15 -0.04 0.00 0.01 0.00 0.00 54.97 55.70 1gks s GLU 27 Cb -0.40 -1.78 -0.05 0.00 -4.31 0.00 0.00 34.13 27.59 1gks s GLU 27 CO 0.40 -2.67 0.34 -0.51 0.01 0.00 0.00 175.26 172.83 1gks s LEU 28 N -6.18 4.29 -1.47 1.80 1.02 -1.26 -4.01 118.68 112.87 1gks s LEU 28 Ca 0.70 0.53 -0.01 0.00 0.02 0.00 0.00 54.13 55.37 1gks s LEU 28 Cb -0.08 -3.22 0.00 0.00 0.02 0.00 0.00 46.19 42.91 1gks s LEU 28 CO 0.54 0.08 0.11 0.59 0.02 0.00 0.00 176.35 177.69 1gks n ASN 29 N 0.16 -5.21 -2.93 2.29 3.02 -1.24 -4.96 115.26 106.39 1gks n ASN 29 Ca -0.03 -0.07 -0.23 0.00 -0.03 0.00 0.00 54.58 54.22 1gks n ASN 29 Cb 0.52 -4.24 -0.03 0.00 -0.61 0.00 0.00 39.78 35.42 1gks n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gks n ALA 30 N -2.16 3.84 -0.25 5.41 0.00 -1.26 -4.96 120.51 121.13 1gks n ALA 30 Ca -0.19 -4.14 0.08 0.00 0.00 0.00 0.00 53.44 49.19 1gks n ALA 30 Cb 0.65 -0.78 0.16 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.11 -0.06 -0.34 0.00 -0.02 -1.26 -0.95 135.00 132.26 1gks n PRO 31 Ca 0.28 1.10 0.14 0.00 -2.02 0.00 0.00 63.50 63.00 1gks n PRO 31 Cb 0.54 -1.69 0.28 0.00 -0.02 0.00 0.00 33.50 32.61 1gks n PRO 31 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1gks n GLU 32 N -5.07 -0.08 0.10 -0.52 4.71 -1.26 -0.22 120.64 118.31 1gks n GLU 32 Ca 0.14 1.48 -0.04 0.00 -0.01 0.00 0.00 57.16 58.73 1gks n GLU 32 Cb 0.46 -2.34 0.03 0.00 -1.01 0.00 0.00 31.44 28.59 1gks n GLU 32 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1gks h ASP 33 N 0.00 0.00 1.41 1.62 1.82 -1.43 -3.24 116.42 116.60 1gks h ASP 33 Ca 0.59 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.21 1gks h ASP 33 Cb 1.20 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 1gks h ASP 33 CO -0.93 0.79 -0.59 -0.50 -1.61 0.00 0.00 179.24 176.40 1gks h TRP 34 N 0.00 0.00 -0.83 0.28 4.06 -0.67 -3.39 115.95 115.41 1gks h TRP 34 Ca -0.01 0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.19 1gks h TRP 34 Cb 1.44 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.44 1gks h TRP 34 CO 0.00 0.07 0.09 0.00 -3.56 0.00 0.00 178.44 175.04 1gks n ALA 35 N -2.16 0.50 0.53 1.49 0.00 0.54 -0.21 120.51 121.19 1gks n ALA 35 Ca 0.01 0.88 0.11 0.00 0.00 0.00 0.00 53.44 54.45 1gks n ALA 35 Cb 0.57 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 19.36 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 0.61 -4.70 0.00 9.92 -1.26 -4.91 116.55 111.08 1gks n ASP 36 Ca 0.22 -0.18 -0.42 0.00 -0.53 0.00 0.00 54.79 53.87 1gks n ASP 36 Cb 0.71 0.81 -0.03 0.00 -0.64 0.00 0.00 41.12 41.98 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 -3.21 4.47 0.01 -1.24 0.52 0.70 -4.98 118.95 115.22 1gks s ARG 37 Ca 0.03 1.41 -0.36 0.00 -0.52 0.00 0.00 55.73 56.29 1gks s ARG 37 Cb 0.14 -3.51 -0.15 0.00 0.52 0.00 0.00 34.95 31.95 1gks s ARG 37 CO 0.80 -0.21 1.58 -2.30 0.02 0.00 0.00 175.30 175.19 1gks n PRO 38 N 4.57 1.62 0.23 3.54 -0.02 -1.26 -4.86 135.00 138.82 1gks n PRO 38 Ca 0.08 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 1gks n PRO 38 Cb 0.50 -2.31 0.57 0.00 -0.02 0.00 0.00 33.50 32.24 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 6.29 0.00 -1.03 2.55 4.64 -1.93 -3.42 113.55 120.64 1gks h SER 39 Ca -0.47 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.33 1gks h SER 39 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1gks h SER 39 CO 0.87 0.20 1.62 -1.20 -0.87 0.00 0.00 176.83 177.45 1gks n SER 40 N -3.88 1.71 -0.31 4.97 7.64 -1.26 -4.84 113.62 117.65 1gks n SER 40 Ca -0.02 -0.07 0.02 0.00 1.01 0.00 0.00 58.87 59.81 1gks n SER 40 Cb 0.29 -1.31 0.09 0.00 -1.01 0.00 0.00 64.21 62.27 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 7.63 0.11 -0.74 0.44 2.07 -1.99 0.45 116.25 124.23 1gks h VAL 41 Ca -0.20 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.46 1gks h VAL 41 Cb 1.29 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 1gks h VAL 41 CO 1.19 0.00 0.29 0.44 0.02 0.00 0.00 177.57 179.51 1gks h ASP 42 N -0.02 0.27 -0.20 0.57 3.32 -1.96 0.31 116.42 118.71 1gks h ASP 42 Ca 0.38 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 1gks h ASP 42 Cb 0.62 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1gks h ASP 42 CO -0.89 0.11 0.08 -0.33 -1.72 0.00 0.00 179.24 176.49 1gks h GLU 43 N 0.44 0.29 -0.81 3.56 5.08 -1.28 0.26 114.58 122.12 1gks h GLU 43 Ca 0.40 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1gks h GLU 43 Cb 0.60 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1gks h GLU 43 CO -0.39 0.35 0.46 -0.07 -1.00 0.00 0.00 179.01 178.36 1gks h LEU 44 N 0.17 0.99 -0.72 1.33 3.38 -0.84 -0.62 115.31 119.00 1gks h LEU 44 Ca 0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1gks h LEU 44 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1gks h LEU 44 CO -0.01 0.78 0.20 0.58 0.09 0.00 0.00 178.44 180.09 1gks h VAL 45 N 1.12 1.26 -0.11 1.22 2.07 -0.05 0.87 116.25 122.64 1gks h VAL 45 Ca 0.29 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1gks h VAL 45 Cb -0.01 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1gks h VAL 45 CO -0.05 0.36 0.07 -0.33 0.02 0.00 0.00 177.57 177.64 1gks h GLU 46 N 1.07 0.14 -0.73 1.57 4.39 -0.04 0.31 114.58 121.28 1gks h GLU 46 Ca 0.23 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.02 1gks h GLU 46 Cb 0.33 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.88 1gks h GLU 46 CO -0.00 0.11 0.36 0.77 -1.16 0.00 0.00 179.01 179.09 1gks h SER 47 N 0.13 0.45 -0.23 1.42 0.02 -0.65 0.47 113.55 115.16 1gks h SER 47 Ca 0.04 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1gks h SER 47 Cb 0.01 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1gks h SER 47 CO -0.01 0.24 -0.16 0.74 -1.14 0.00 0.00 176.83 176.50 1gks h THR 48 N 0.59 1.31 0.03 -2.27 2.02 -0.47 0.35 112.91 114.47 1gks h THR 48 Ca 0.37 -1.28 0.03 0.00 0.77 0.00 0.00 66.41 66.29 1gks h THR 48 Cb 0.42 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 1gks h THR 48 CO -0.29 0.40 -0.21 -0.07 0.37 0.00 0.00 175.52 175.72 1gks h LEU 49 N 0.22 -0.60 -0.11 2.58 3.38 0.20 -0.64 115.31 120.34 1gks h LEU 49 Ca 0.05 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1gks h LEU 49 Cb 0.69 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1gks h LEU 49 CO 0.04 -0.28 -0.57 0.00 0.09 0.00 0.00 178.44 177.72 1gks h ALA 50 N 0.52 0.66 0.00 1.53 0.00 -0.94 -0.35 119.26 120.67 1gks h ALA 50 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gks h ALA 50 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1gks h ALA 50 CO -0.17 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1gks n GLY 51 N 1.13 1.43 3.56 0.00 0.00 0.12 -3.99 105.19 107.44 1gks n GLY 51 Ca 0.01 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.93 0.52 7.44 1.61 2.20 -0.09 -4.74 119.74 123.74 1gks s LYS 52 Ca 0.00 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1gks s LYS 52 Cb 0.00 0.75 0.00 0.00 -1.51 0.00 0.00 37.83 37.07 1gks s LYS 52 CO 0.00 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1gks n GLY 53 N 5.44 4.10 0.22 5.54 0.00 -1.26 -0.45 105.19 118.78 1gks n GLY 53 Ca -0.11 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 0.95 -2.30 4.61 0.00 -1.98 -3.45 119.26 116.15 1gks h ALA 54 Ca 0.00 -0.11 -0.55 0.00 0.00 0.00 0.00 54.91 54.25 1gks h ALA 54 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1gks h ALA 54 CO 0.00 0.15 0.98 1.41 0.00 0.00 0.00 179.25 181.79 1gks s MET 55 N -3.33 4.22 0.63 0.00 0.00 0.41 -5.00 119.30 116.23 1gks s MET 55 Ca 0.04 2.06 -0.13 0.00 0.00 0.00 0.00 55.69 57.66 1gks s MET 55 Cb 0.07 -3.80 -0.02 0.00 0.00 0.00 0.00 34.83 31.08 1gks s MET 55 CO 0.65 -0.74 1.05 -1.25 0.00 0.00 0.00 175.02 174.73 1gks s PRO 56 N 3.36 3.26 0.07 4.11 0.04 -1.26 -0.91 135.00 143.66 1gks s PRO 56 Ca 0.68 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 1gks s PRO 56 Cb -0.32 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1gks s PRO 56 CO 0.27 -0.85 1.84 0.00 0.04 0.00 0.00 177.00 178.30 1gks s ALA 57 N -2.78 3.68 -0.98 8.56 0.00 -1.26 -4.23 121.76 124.75 1gks s ALA 57 Ca 0.60 1.33 0.25 0.00 0.00 0.00 0.00 51.96 54.14 1gks s ALA 57 Cb -0.14 -3.78 0.51 0.00 0.00 0.00 0.00 23.12 19.71 1gks s ALA 57 CO 0.45 -1.34 1.42 0.66 0.00 0.00 0.00 175.76 176.95 1gks n TYR 58 N 6.42 0.02 -1.48 0.00 4.02 -0.26 -4.88 117.16 121.02 1gks n TYR 58 Ca 0.18 0.01 -0.52 0.00 -0.01 0.00 0.00 57.90 57.56 1gks n TYR 58 Cb 0.40 -0.27 -0.07 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.52 2.13 0.00 7.72 2.03 -0.45 -0.39 116.55 126.07 1gks n ASP 59 Ca 0.05 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.91 1gks n ASP 59 Cb 0.34 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 6.22 2.67 0.10 0.27 0.00 -1.26 -4.87 105.19 108.32 1gks n GLY 60 Ca 0.39 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 0.10 -5.24 1.61 3.08 -1.06 -3.44 114.38 109.43 1gks h ARG 61 Ca 0.00 -0.16 -0.67 0.00 0.07 0.00 0.00 59.98 59.22 1gks h ARG 61 Cb 0.00 0.06 -0.30 0.00 0.08 0.00 0.00 29.97 29.81 1gks h ARG 61 CO 0.00 1.08 -0.81 0.00 -1.07 0.00 0.00 179.97 179.17 1gks s ALA 62 N -2.37 2.45 0.42 0.04 0.00 -0.59 -4.84 121.76 116.88 1gks s ALA 62 Ca -0.22 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.52 1gks s ALA 62 Cb 0.03 -1.14 -0.11 0.00 0.00 0.00 0.00 23.12 21.90 1gks s ALA 62 CO 0.69 0.07 0.94 0.34 0.00 0.00 0.00 175.76 177.80 1gks s ASP 63 N 0.66 6.94 0.08 0.00 2.15 -1.26 -4.49 116.67 120.74 1gks s ASP 63 Ca -0.08 1.67 -0.04 0.00 0.43 0.00 0.00 52.55 54.53 1gks s ASP 63 Cb -0.16 -2.53 0.10 0.00 -0.30 0.00 0.00 42.92 40.03 1gks s ASP 63 CO 0.02 -0.35 0.46 -1.14 -0.17 0.00 0.00 175.17 173.99 1gks n ARG 64 N -0.61 -0.05 0.03 4.34 3.00 -1.26 0.37 116.66 122.48 1gks n ARG 64 Ca 0.07 0.46 -0.12 0.00 -0.00 0.00 0.00 57.85 58.26 1gks n ARG 64 Cb 0.54 -0.68 -0.07 0.00 0.00 0.00 0.00 32.46 32.25 1gks n ARG 64 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1gks h GLU 65 N 0.00 0.02 0.22 -0.14 4.39 -1.98 0.12 114.58 117.20 1gks h GLU 65 Ca 0.12 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1gks h GLU 65 Cb 0.20 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1gks h GLU 65 CO -0.30 0.03 -0.31 -0.44 -1.16 0.00 0.00 179.01 176.82 1gks h ASP 66 N 0.00 -0.87 -0.07 1.42 3.32 -0.44 -0.63 116.42 119.15 1gks h ASP 66 Ca 0.00 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1gks h ASP 66 Cb 0.01 0.31 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1gks h ASP 66 CO -0.00 -0.42 -0.50 -0.07 -1.72 0.00 0.00 179.24 176.53 1gks h LEU 67 N -0.59 -1.55 -0.32 1.55 3.38 -0.96 0.67 115.31 117.49 1gks h LEU 67 Ca 0.01 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1gks h LEU 67 Cb 0.58 0.61 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 1gks h LEU 67 CO -0.12 -0.48 -0.36 0.58 0.09 0.00 0.00 178.44 178.14 1gks h VAL 68 N -0.59 0.20 -0.62 1.22 2.07 -0.61 0.22 116.25 118.13 1gks h VAL 68 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1gks h VAL 68 Cb 0.68 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1gks h VAL 68 CO -0.39 0.00 0.38 0.11 0.02 0.00 0.00 177.57 177.69 1gks h LYS 69 N -0.33 0.72 -0.35 1.57 1.57 -0.67 0.13 116.57 119.22 1gks h LYS 69 Ca 0.14 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1gks h LYS 69 Cb 0.56 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1gks h LYS 69 CO -0.50 0.48 0.08 0.00 -0.57 0.00 0.00 179.45 178.94 1gks h ALA 70 N 1.27 0.46 -0.18 3.86 0.00 -0.17 -2.77 119.26 121.74 1gks h ALA 70 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1gks h ALA 70 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1gks h ALA 70 CO -0.11 0.14 -0.05 0.82 0.00 0.00 0.00 179.25 180.05 1gks h ILE 71 N 0.42 1.29 -0.81 0.00 2.04 -0.15 0.14 117.51 120.44 1gks h ILE 71 Ca 0.11 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1gks h ILE 71 Cb 0.31 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1gks h ILE 71 CO 0.00 0.31 0.53 1.05 0.00 0.00 0.00 178.15 180.04 1gks h GLU 72 N 0.06 1.02 0.00 2.37 -0.00 -0.78 0.82 114.58 118.06 1gks h GLU 72 Ca 0.04 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1gks h GLU 72 Cb 0.50 -0.23 0.00 0.00 -0.00 0.00 0.00 28.75 29.02 1gks h GLU 72 CO 0.02 0.67 -0.00 -0.92 -0.00 0.00 0.00 179.01 178.78 1gks h TYR 73 N 1.05 -0.00 -0.42 2.06 3.20 -1.31 0.26 116.97 121.80 1gks h TYR 73 Ca 0.31 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.27 1gks h TYR 73 Cb -0.05 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.13 1gks h TYR 73 CO -0.02 0.11 -0.26 1.98 -1.64 0.00 0.00 178.16 178.33 1gks h MET 74 N -0.12 -0.17 -0.83 1.82 4.05 -0.16 -0.95 114.93 118.57 1gks h MET 74 Ca -0.00 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1gks h MET 74 Cb 0.12 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 1gks h MET 74 CO 0.00 -0.12 0.45 -0.07 0.23 0.00 0.00 176.91 177.41 1gks h LEU 75 N -0.18 1.04 0.00 3.39 3.38 -0.66 -2.73 115.31 119.55 1gks h LEU 75 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1gks h LEU 75 Cb 0.49 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1gks h LEU 75 CO -0.53 0.83 0.00 -1.54 0.09 0.00 0.00 178.44 177.30 1gks n SER 76 N -4.34 0.00 0.11 -0.43 3.41 0.06 -0.97 113.62 111.46 1gks n SER 76 Ca 0.09 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 1gks n SER 76 Cb 0.10 -0.43 0.41 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.43 0.61 1.59 6.66 -2.24 -1.03 -5.06 114.28 113.38 1gks n THR 77 Ca 0.01 -0.25 0.14 0.00 -2.27 0.00 0.00 64.05 61.69 1gks n THR 77 Cb 0.04 -0.63 0.60 0.00 -2.10 0.00 0.00 70.33 68.24 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68