#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 1.02 0.74 6.12 0.00 -1.94 -2.18 103.07 106.82 1gks h GLY 2 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 1gks h GLY 2 CO 0.00 0.64 -0.40 0.83 0.00 0.00 0.00 176.54 177.62 1gks h GLU 3 N 0.84 -0.88 -0.63 4.80 5.08 -1.90 0.42 114.58 122.31 1gks h GLU 3 Ca 0.17 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.69 1gks h GLU 3 Cb 0.44 0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.82 1gks h GLU 3 CO 0.01 -0.59 0.23 0.66 -1.00 0.00 0.00 179.01 178.33 1gks h SER 4 N -0.91 0.23 0.64 1.42 4.64 -1.95 0.15 113.55 117.76 1gks h SER 4 Ca -0.06 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1gks h SER 4 Cb 0.77 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1gks h SER 4 CO 0.02 0.13 -0.32 0.40 -0.87 0.00 0.00 176.83 176.19 1gks h ILE 5 N 0.41 0.35 -0.39 0.95 2.04 -1.13 0.83 117.51 120.57 1gks h ILE 5 Ca 0.32 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.22 1gks h ILE 5 Cb 0.41 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1gks h ILE 5 CO -0.32 0.00 0.16 0.22 0.00 0.00 0.00 178.15 178.20 1gks h TYR 6 N -0.88 0.28 0.29 1.37 3.20 -0.54 0.20 116.97 120.89 1gks h TYR 6 Ca -0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1gks h TYR 6 Cb 0.68 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1gks h TYR 6 CO -0.04 0.12 -0.14 0.82 -1.64 0.00 0.00 178.16 177.28 1gks h ILE 7 N 0.33 0.00 -0.60 1.81 2.04 -0.63 -2.91 117.51 117.55 1gks h ILE 7 Ca 0.18 -0.23 -0.28 0.00 1.00 0.00 0.00 64.86 65.53 1gks h ILE 7 Cb 0.14 0.00 -0.38 0.00 -0.74 0.00 0.00 36.82 35.84 1gks h ILE 7 CO -0.17 0.00 -1.09 0.59 0.00 0.00 0.00 178.15 177.49 1gks n ASN 8 N -3.66 1.28 -2.33 1.72 5.03 0.18 -4.58 115.26 112.91 1gks n ASN 8 Ca -0.05 -2.28 -0.00 0.00 0.87 0.00 0.00 54.58 53.11 1gks n ASN 8 Cb 0.15 -0.40 0.05 0.00 -1.02 0.00 0.00 39.78 38.56 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 -0.45 1.55 3.08 7.41 0.00 0.03 -4.85 105.19 111.95 1gks n GLY 9 Ca 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.72 0.39 -0.17 2.61 -4.23 -1.03 -4.65 115.64 106.85 1gks s THR 10 Ca 0.21 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 59.21 1gks s THR 10 Cb 0.33 -1.07 0.08 0.00 1.34 0.00 0.00 72.50 73.18 1gks s THR 10 CO -0.08 -0.71 0.22 0.00 -0.54 0.00 0.00 174.62 173.50 1gks s ALA 11 N -2.70 -0.29 0.40 3.99 0.00 -1.26 -2.33 121.76 119.58 1gks s ALA 11 Ca -0.01 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.11 1gks s ALA 11 Cb -0.01 -1.19 -0.11 0.00 0.00 0.00 0.00 23.12 21.82 1gks s ALA 11 CO -0.04 -1.01 1.09 -2.30 0.00 0.00 0.00 175.76 173.50 1gks n PRO 12 N 5.32 1.54 -2.10 0.00 -0.02 -1.26 -5.01 135.00 133.47 1gks n PRO 12 Ca -0.05 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 1gks n PRO 12 Cb 0.50 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1gks n PRO 12 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1gks s THR 13 N -1.23 3.19 0.17 3.45 2.01 -0.98 -4.92 115.64 117.33 1gks s THR 13 Ca 0.62 0.80 -0.15 0.00 0.31 0.00 0.00 61.69 63.27 1gks s THR 13 Cb -0.56 -3.52 0.07 0.00 0.01 0.00 0.00 72.50 68.51 1gks s THR 13 CO 0.58 0.04 1.72 0.00 -0.69 0.00 0.00 174.62 176.27 1gks h SER 15 N 0.18 -1.39 -1.31 0.00 4.64 -1.76 -0.15 113.55 113.76 1gks h SER 15 Ca 0.20 0.28 0.42 0.00 -0.47 0.00 0.00 61.79 62.22 1gks h SER 15 Cb 0.26 0.70 -0.12 0.00 -0.31 0.00 0.00 62.40 62.93 1gks h SER 15 CO -0.29 -0.30 0.85 0.28 -0.87 0.00 0.00 176.83 176.51 1gks h SER 16 N -0.08 0.25 0.00 4.97 0.02 -1.83 0.12 113.55 117.00 1gks h SER 16 Ca 0.28 0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 61.24 1gks h SER 16 Cb 0.57 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1gks h SER 16 CO -0.85 -0.15 -1.38 0.00 -1.14 0.00 0.00 176.83 173.31 1gks h HIS 18 N -0.96 0.58 -0.50 0.00 3.86 -0.92 0.41 115.15 117.61 1gks h HIS 18 Ca -0.19 -0.19 -0.09 0.00 -1.16 0.00 0.00 60.37 58.75 1gks h HIS 18 Cb 1.13 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 1gks h HIS 18 CO -0.32 0.87 -0.02 0.22 0.86 0.00 0.00 177.93 179.53 1gks h ASP 19 N 0.37 0.89 0.64 2.45 3.58 -0.94 -2.80 116.42 120.62 1gks h ASP 19 Ca 0.02 -0.32 -0.17 0.00 0.42 0.00 0.00 57.03 56.98 1gks h ASP 19 Cb 1.00 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1gks h ASP 19 CO 0.09 1.00 -0.78 -0.09 -2.88 0.00 0.00 179.24 176.58 1gks h ARG 20 N 0.77 0.10 -1.18 0.28 2.43 -1.61 -3.47 114.38 111.69 1gks h ARG 20 Ca 0.14 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1gks h ARG 20 Cb 0.55 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1gks h ARG 20 CO 0.03 0.82 -0.13 0.41 -1.51 0.00 0.00 179.97 179.59 1gks n GLY 21 N 0.67 0.35 3.77 2.80 0.00 0.13 -5.00 105.19 107.90 1gks n GLY 21 Ca -0.02 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1gks n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gks s VAL 22 N -2.54 2.23 -1.12 1.61 0.11 -0.32 -2.33 120.40 118.04 1gks s VAL 22 Ca 0.05 0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 59.26 1gks s VAL 22 Cb -0.02 -3.12 0.03 0.00 -1.53 0.00 0.00 36.38 31.74 1gks s VAL 22 CO 0.06 0.03 0.24 0.00 -3.33 0.00 0.00 175.10 172.09 1gks n ALA 23 N -0.17 -0.92 -1.51 1.54 0.00 -1.26 -0.52 120.51 117.66 1gks n ALA 23 Ca 0.05 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1gks n ALA 23 Cb 0.43 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.98 0.90 3.72 0.00 0.00 -0.98 -4.96 105.19 102.89 1gks n GLY 24 Ca -0.08 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 1.98 -1.68 4.61 0.00 0.32 -4.85 120.51 121.47 1gks n ALA 25 Ca -0.11 0.38 -0.45 0.00 0.00 0.00 0.00 53.44 53.26 1gks n ALA 25 Cb 0.40 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 1gks n ALA 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gks n PRO 26 N 1.71 2.48 -1.95 0.00 -0.04 -1.26 -4.53 135.00 131.41 1gks n PRO 26 Ca 0.08 0.91 -0.29 0.00 -0.04 0.00 0.00 63.50 64.16 1gks n PRO 26 Cb 0.35 -2.78 0.08 0.00 -0.04 0.00 0.00 33.50 31.12 1gks n PRO 26 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1gks s GLU 27 N 3.27 2.09 0.19 0.54 2.02 -1.26 -4.82 118.70 120.73 1gks s GLU 27 Ca 0.87 0.08 -0.06 0.00 0.02 0.00 0.00 54.97 55.88 1gks s GLU 27 Cb -0.58 -1.99 -0.06 0.00 0.10 0.00 0.00 34.13 31.60 1gks s GLU 27 CO 0.44 -1.49 0.45 -0.51 0.02 0.00 0.00 175.26 174.17 1gks s LEU 28 N -5.50 4.20 -1.27 1.80 1.02 -1.26 -4.07 118.68 113.60 1gks s LEU 28 Ca 0.61 0.68 -0.06 0.00 0.02 0.00 0.00 54.13 55.39 1gks s LEU 28 Cb -0.11 -3.43 0.01 0.00 0.02 0.00 0.00 46.19 42.67 1gks s LEU 28 CO 0.49 -0.03 0.75 0.59 0.02 0.00 0.00 176.35 178.17 1gks n ASN 29 N -0.20 -5.65 -3.18 2.29 3.02 -1.25 -4.91 115.26 105.38 1gks n ASN 29 Ca -0.02 -0.35 -0.23 0.00 -0.03 0.00 0.00 54.58 53.96 1gks n ASN 29 Cb 0.52 -4.38 -0.06 0.00 -0.61 0.00 0.00 39.78 35.25 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 -3.93 2.27 -0.35 5.41 0.00 -1.26 -4.83 120.51 117.82 1gks n ALA 30 Ca -0.05 -3.35 0.03 0.00 0.00 0.00 0.00 53.44 50.07 1gks n ALA 30 Cb 0.58 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.13 -0.34 0.00 -0.02 -1.26 -0.58 135.00 133.89 1gks n PRO 31 Ca 0.21 1.47 0.18 0.00 -2.02 0.00 0.00 63.50 63.35 1gks n PRO 31 Cb 0.55 -2.20 0.39 0.00 -0.02 0.00 0.00 33.50 32.23 1gks n PRO 31 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gks h GLU 32 N 0.00 0.52 0.00 -0.52 4.81 -1.98 0.18 114.58 117.59 1gks h GLU 32 Ca 0.41 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1gks h GLU 32 Cb 0.65 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1gks h GLU 32 CO -0.97 0.34 -0.05 -0.44 -0.73 0.00 0.00 179.01 177.17 1gks h ASP 33 N 0.53 0.00 0.00 1.04 5.19 -1.20 -3.18 116.42 118.81 1gks h ASP 33 Ca 0.65 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.88 1gks h ASP 33 Cb 1.27 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.74 1gks h ASP 33 CO -0.50 0.05 -1.69 0.79 -3.12 0.00 0.00 179.24 174.78 1gks n TRP 34 N -3.37 0.00 -0.32 4.55 7.02 0.34 -4.70 117.44 120.96 1gks n TRP 34 Ca -0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.50 1gks n TRP 34 Cb 0.19 -0.49 0.10 0.00 -2.42 0.00 0.00 31.31 28.69 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 -2.38 0.13 0.15 6.99 0.00 0.36 -0.20 120.51 125.56 1gks n ALA 35 Ca -0.16 0.93 0.02 0.00 0.00 0.00 0.00 53.44 54.23 1gks n ALA 35 Cb 0.82 -0.52 0.15 0.00 0.00 0.00 0.00 19.45 19.90 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 -3.84 0.00 5.19 -1.85 -3.46 116.42 112.46 1gks h ASP 36 Ca 0.39 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 56.31 1gks h ASP 36 Cb 0.60 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1gks h ASP 36 CO -0.88 0.52 0.38 -0.13 -3.12 0.00 0.00 179.24 176.01 1gks s ARG 37 N -3.24 4.62 -0.80 3.56 0.52 0.72 -4.93 118.95 119.40 1gks s ARG 37 Ca 0.02 1.50 -0.26 0.00 -0.52 0.00 0.00 55.73 56.47 1gks s ARG 37 Cb 0.10 -2.99 -0.15 0.00 0.52 0.00 0.00 34.95 32.43 1gks s ARG 37 CO 0.73 0.28 2.40 -2.30 0.02 0.00 0.00 175.30 176.44 1gks n PRO 38 N 0.89 0.53 0.33 3.54 -0.02 -1.26 -4.77 135.00 134.24 1gks n PRO 38 Ca 0.01 -0.86 0.21 0.00 -2.02 0.00 0.00 63.50 60.84 1gks n PRO 38 Cb 0.48 -3.65 1.14 0.00 -0.02 0.00 0.00 33.50 31.45 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 12.63 0.00 -1.40 2.55 0.02 -1.91 -3.35 113.55 122.09 1gks h SER 39 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1gks h SER 39 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1gks h SER 39 CO 1.02 0.00 1.15 -1.20 -1.14 0.00 0.00 176.83 176.66 1gks n SER 40 N -3.15 2.43 -0.25 3.07 7.64 -1.26 -4.83 113.62 117.27 1gks n SER 40 Ca -0.03 0.79 0.06 0.00 1.01 0.00 0.00 58.87 60.70 1gks n SER 40 Cb 0.12 -1.22 0.18 0.00 -1.01 0.00 0.00 64.21 62.28 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 6.06 0.45 -0.00 0.44 2.07 -1.98 0.17 116.25 123.46 1gks h VAL 41 Ca -0.38 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1gks h VAL 41 Cb 1.31 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1gks h VAL 41 CO 0.99 0.04 0.00 -0.78 0.02 0.00 0.00 177.57 177.84 1gks h ASP 42 N 0.21 0.00 0.00 0.57 3.58 -1.94 0.81 116.42 119.65 1gks h ASP 42 Ca 0.42 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.77 1gks h ASP 42 Cb 0.75 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 1gks h ASP 42 CO -0.56 0.00 -0.77 -0.33 -2.88 0.00 0.00 179.24 174.70 1gks h GLU 43 N 0.00 0.00 -0.87 0.28 5.08 -1.03 -3.37 114.58 114.66 1gks h GLU 43 Ca 0.00 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.57 1gks h GLU 43 Cb 0.01 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1gks h GLU 43 CO -0.00 0.54 0.34 -0.07 -1.00 0.00 0.00 179.01 178.83 1gks h LEU 44 N -1.00 0.25 -1.30 1.33 3.38 -0.75 0.13 115.31 117.35 1gks h LEU 44 Ca -0.16 0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1gks h LEU 44 Cb 0.87 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1gks h LEU 44 CO -0.10 -0.03 0.47 1.62 0.09 0.00 0.00 178.44 180.50 1gks h VAL 45 N 0.36 1.18 -0.30 1.22 3.04 -1.04 0.75 116.25 121.45 1gks h VAL 45 Ca 0.54 -0.33 -0.07 0.00 -1.01 0.00 0.00 66.70 65.83 1gks h VAL 45 Cb 1.02 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1gks h VAL 45 CO -0.54 0.18 -0.07 -0.33 -1.01 0.00 0.00 177.57 175.80 1gks h GLU 46 N 0.96 0.58 -0.48 4.17 5.08 -0.90 0.21 114.58 124.20 1gks h GLU 46 Ca 0.26 -0.22 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1gks h GLU 46 Cb -0.10 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 1gks h GLU 46 CO -0.06 0.77 0.12 0.77 -1.00 0.00 0.00 179.01 179.61 1gks h SER 47 N 0.35 0.05 -0.34 1.42 0.02 -0.97 0.03 113.55 114.11 1gks h SER 47 Ca 0.08 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1gks h SER 47 Cb 0.55 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1gks h SER 47 CO 0.03 0.06 0.16 0.74 -1.14 0.00 0.00 176.83 176.67 1gks h THR 48 N 0.26 1.17 0.08 -2.27 2.02 -0.48 0.25 112.91 113.94 1gks h THR 48 Ca 0.24 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1gks h THR 48 Cb 0.29 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1gks h THR 48 CO -0.29 0.18 -0.11 -0.07 0.37 0.00 0.00 175.52 175.60 1gks h LEU 49 N 0.41 -0.29 -1.15 2.58 3.38 -0.11 -2.65 115.31 117.48 1gks h LEU 49 Ca 0.12 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1gks h LEU 49 Cb 0.13 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1gks h LEU 49 CO -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 178.44 178.35 1gks h ALA 50 N 0.67 1.30 0.00 1.53 0.00 -0.86 0.23 119.26 122.12 1gks h ALA 50 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1gks h ALA 50 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1gks h ALA 50 CO -0.05 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1gks n GLY 51 N -0.82 0.74 3.48 0.00 0.00 0.88 -4.23 105.19 105.25 1gks n GLY 51 Ca 0.02 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.28 0.57 5.94 1.61 2.20 -0.61 -4.81 119.74 121.35 1gks s LYS 52 Ca 0.00 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1gks s LYS 52 Cb 0.00 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1gks s LYS 52 CO 0.00 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1gks n GLY 53 N 4.36 3.04 0.29 5.54 0.00 -1.26 -0.60 105.19 116.56 1gks n GLY 53 Ca -0.21 -0.27 0.16 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.90 1.30 -2.11 4.61 0.00 -1.99 -3.43 119.26 116.75 1gks h ALA 54 Ca 0.00 -0.04 -0.56 0.00 0.00 0.00 0.00 54.91 54.31 1gks h ALA 54 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1gks h ALA 54 CO 0.00 0.05 1.21 1.41 0.00 0.00 0.00 179.25 181.92 1gks s MET 55 N -4.32 3.78 0.93 0.00 0.00 0.23 -4.98 119.30 114.93 1gks s MET 55 Ca -0.04 1.96 -0.11 0.00 0.00 0.00 0.00 55.69 57.50 1gks s MET 55 Cb 0.14 -4.12 0.15 0.00 0.00 0.00 0.00 34.83 31.00 1gks s MET 55 CO 0.53 -1.34 1.11 -2.14 0.00 0.00 0.00 175.02 173.18 1gks s PRO 56 N 4.88 0.92 0.21 4.11 0.02 -1.26 -1.58 135.00 142.30 1gks s PRO 56 Ca 0.80 1.26 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 1gks s PRO 56 Cb -0.31 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 1gks s PRO 56 CO 0.33 -2.60 1.14 0.00 -0.33 0.00 0.00 177.00 175.53 1gks s ALA 57 N -2.70 3.41 -1.06 -1.55 0.00 -1.26 -4.22 121.76 114.37 1gks s ALA 57 Ca 0.66 0.89 0.16 0.00 0.00 0.00 0.00 51.96 53.67 1gks s ALA 57 Cb -0.22 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 1gks s ALA 57 CO 0.59 -0.26 0.76 0.66 0.00 0.00 0.00 175.76 177.51 1gks n TYR 58 N 2.10 0.00 -1.56 0.00 4.02 0.56 -4.92 117.16 117.35 1gks n TYR 58 Ca 0.02 0.00 -0.61 0.00 -0.01 0.00 0.00 57.90 57.30 1gks n TYR 58 Cb 0.45 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.68 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 1.50 0.00 7.72 2.03 0.20 -0.37 116.55 126.72 1gks n ASP 59 Ca 0.05 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.27 1gks n ASP 59 Cb 0.29 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 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 5.37 2.98 0.10 0.27 0.00 -1.26 -4.76 105.19 107.89 1gks n GLY 60 Ca 0.38 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 1.06 0.14 -5.58 1.61 3.08 -1.07 -3.45 114.38 110.17 1gks h ARG 61 Ca 0.00 -0.24 -0.66 0.00 0.07 0.00 0.00 59.98 59.15 1gks h ARG 61 Cb 0.00 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.06 1gks h ARG 61 CO 0.00 1.11 -0.49 0.00 -1.07 0.00 0.00 179.97 179.53 1gks s ALA 62 N -2.37 3.82 -0.41 0.04 0.00 -0.18 -5.00 121.76 117.65 1gks s ALA 62 Ca -0.20 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1gks s ALA 62 Cb 0.02 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1gks s ALA 62 CO 0.72 0.53 0.70 -3.47 0.00 0.00 0.00 175.76 174.25 1gks n ASP 63 N 2.28 1.92 0.00 0.00 2.03 -1.26 -4.79 116.55 116.73 1gks n ASP 63 Ca -0.19 -1.76 0.00 0.00 0.52 0.00 0.00 54.79 53.36 1gks n ASP 63 Cb 0.54 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1gks n ASP 63 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1gks n ARG 64 N 0.36 0.00 -0.11 -0.67 0.63 -1.26 -4.45 116.66 111.16 1gks n ARG 64 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1gks n ARG 64 Cb 0.35 -0.38 0.17 0.00 0.45 0.00 0.00 32.46 33.05 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 0.78 0.20 -0.14 4.39 -1.99 -0.43 114.58 117.39 1gks h GLU 65 Ca 0.00 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1gks h GLU 65 Cb 0.00 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 1gks h GLU 65 CO 0.00 0.77 -0.45 -0.44 -1.16 0.00 0.00 179.01 177.73 1gks h ASP 66 N 0.74 -1.32 0.42 1.42 3.32 -1.92 -0.34 116.42 118.73 1gks h ASP 66 Ca 0.15 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1gks h ASP 66 Cb 0.41 0.48 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 1gks h ASP 66 CO 0.01 -0.54 -0.45 -0.07 -1.72 0.00 0.00 179.24 176.48 1gks h LEU 67 N -0.74 -1.25 -0.86 1.55 3.38 -1.89 -0.67 115.31 114.83 1gks h LEU 67 Ca -0.00 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.21 1gks h LEU 67 Cb 0.73 0.42 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 1gks h LEU 67 CO -0.21 -0.60 -0.37 0.58 0.09 0.00 0.00 178.44 177.92 1gks h VAL 68 N -0.89 0.06 -0.85 1.22 2.07 -0.86 0.30 116.25 117.30 1gks h VAL 68 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1gks h VAL 68 Cb 0.80 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1gks h VAL 68 CO -0.08 0.00 0.46 0.11 0.02 0.00 0.00 177.57 178.07 1gks h LYS 69 N -0.05 1.20 -0.08 1.57 1.79 -0.72 0.13 116.57 120.40 1gks h LYS 69 Ca 0.31 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1gks h LYS 69 Cb 0.58 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1gks h LYS 69 CO -0.89 0.88 0.01 0.00 -1.08 0.00 0.00 179.45 178.38 1gks h ALA 70 N 1.25 0.11 -0.17 3.86 0.00 0.63 -3.06 119.26 121.87 1gks h ALA 70 Ca 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1gks h ALA 70 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1gks h ALA 70 CO -0.05 -0.24 0.08 0.82 0.00 0.00 0.00 179.25 179.87 1gks h ILE 71 N -0.11 1.12 -0.61 0.00 2.04 -0.27 0.10 117.51 119.78 1gks h ILE 71 Ca 0.02 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1gks h ILE 71 Cb 0.30 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1gks h ILE 71 CO 0.00 0.12 0.38 1.05 0.00 0.00 0.00 178.15 179.70 1gks h GLU 72 N 0.15 0.73 0.24 2.37 4.11 -1.04 0.80 114.58 121.95 1gks h GLU 72 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 1gks h GLU 72 Cb 0.11 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1gks h GLU 72 CO -0.01 0.48 -0.12 -0.92 0.07 0.00 0.00 179.01 178.52 1gks h TYR 73 N 0.75 -0.30 -0.68 2.06 3.20 -1.39 -1.19 116.97 119.42 1gks h TYR 73 Ca 0.25 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.24 1gks h TYR 73 Cb 0.01 0.10 -0.13 0.00 1.54 0.00 0.00 36.73 38.25 1gks h TYR 73 CO -0.05 -0.12 -0.18 1.98 -1.64 0.00 0.00 178.16 178.14 1gks h MET 74 N -0.41 -0.01 -0.38 1.82 4.05 -0.30 0.22 114.93 119.92 1gks h MET 74 Ca -0.03 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 1gks h MET 74 Cb 0.31 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 1gks h MET 74 CO 0.05 -0.01 -0.03 -0.07 0.23 0.00 0.00 176.91 177.09 1gks h LEU 75 N -0.01 0.59 -5.17 3.39 3.38 -0.71 -3.29 115.31 113.48 1gks h LEU 75 Ca 0.33 -0.13 -0.47 0.00 0.09 0.00 0.00 57.88 57.70 1gks h LEU 75 Cb 0.51 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.12 1gks h LEU 75 CO -0.71 0.68 2.84 -1.20 0.09 0.00 0.00 178.44 180.14 1gks n SER 76 N -4.24 6.28 0.00 -0.43 7.64 0.78 -2.59 113.62 121.06 1gks n SER 76 Ca 0.02 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.49 1gks n SER 76 Cb 0.28 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 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 3.84 0.00 0.00 0.44 -2.24 -1.24 -4.95 114.28 110.12 1gks n THR 77 Ca 0.56 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1gks n THR 77 Cb 0.21 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68