#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 0.46 5.00 6.12 0.00 -1.26 -4.34 105.19 111.16 1gks n GLY 2 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.31 0.00 -0.22 1.61 4.71 -1.26 -4.66 120.64 118.50 1gks n GLU 3 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.11 1gks n GLU 3 Cb 0.11 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.53 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 1.45 -0.47 -0.04 1.62 3.41 -1.26 -0.14 113.62 118.19 1gks n SER 4 Ca 0.00 0.98 -0.08 0.00 -0.26 0.00 0.00 58.87 59.51 1gks n SER 4 Cb 0.00 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 0.73 -0.17 -1.33 2.04 -1.83 0.21 117.51 117.15 1gks h ILE 5 Ca 0.15 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 1gks h ILE 5 Cb 0.29 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1gks h ILE 5 CO -0.54 0.00 -0.08 0.22 0.00 0.00 0.00 178.15 177.75 1gks h TYR 6 N -0.05 0.42 -0.50 1.37 3.20 -0.84 0.18 116.97 120.74 1gks h TYR 6 Ca 0.10 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1gks h TYR 6 Cb 0.21 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1gks h TYR 6 CO -0.24 0.67 0.03 0.82 -1.64 0.00 0.00 178.16 177.80 1gks h ILE 7 N 0.05 1.26 0.00 1.81 2.04 -0.67 -2.99 117.51 119.01 1gks h ILE 7 Ca 0.04 -1.03 -0.13 0.00 1.00 0.00 0.00 64.86 64.74 1gks h ILE 7 Cb 0.56 0.93 -0.12 0.00 -0.74 0.00 0.00 36.82 37.45 1gks h ILE 7 CO 0.03 0.36 -0.26 -0.46 0.00 0.00 0.00 178.15 177.82 1gks n ASN 8 N -4.35 -1.03 -0.02 1.72 2.04 0.70 -4.60 115.26 109.73 1gks n ASN 8 Ca 0.01 -1.91 -0.16 0.00 -0.44 0.00 0.00 54.58 52.08 1gks n ASN 8 Cb 0.30 0.37 -0.11 0.00 -2.53 0.00 0.00 39.78 37.80 1gks n ASN 8 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1gks h GLY 9 N 0.23 0.30 -2.34 4.83 0.00 -0.11 -3.47 103.07 102.51 1gks h GLY 9 Ca -0.50 -0.52 -0.43 0.00 0.00 0.00 0.00 47.33 45.88 1gks h GLY 9 CO -0.24 0.46 -0.21 -0.51 0.00 0.00 0.00 176.54 176.04 1gks s THR 10 N -3.17 3.17 -0.18 4.70 -4.23 -1.25 -5.03 115.64 109.64 1gks s THR 10 Ca -0.15 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1gks s THR 10 Cb 0.02 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 70.80 1gks s THR 10 CO 0.77 -0.05 -0.10 0.00 -0.54 0.00 0.00 174.62 174.71 1gks s ALA 11 N -2.44 1.85 1.11 3.99 0.00 -1.26 -2.86 121.76 122.16 1gks s ALA 11 Ca 0.53 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1gks s ALA 11 Cb -0.10 -1.21 0.25 0.00 0.00 0.00 0.00 23.12 22.06 1gks s ALA 11 CO 0.34 -0.75 1.05 -1.25 0.00 0.00 0.00 175.76 175.16 1gks s PRO 12 N 1.47 -0.49 0.44 0.00 0.04 -1.26 -5.07 135.00 130.14 1gks s PRO 12 Ca 0.00 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 61.52 1gks s PRO 12 Cb -0.15 -1.62 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 1gks s PRO 12 CO -0.08 -3.39 0.98 0.95 0.04 0.00 0.00 177.00 175.49 1gks s THR 13 N -2.65 4.17 0.16 1.26 -4.23 -1.14 -4.96 115.64 108.25 1gks s THR 13 Ca 0.67 1.38 -0.14 0.00 -1.18 0.00 0.00 61.69 62.42 1gks s THR 13 Cb -0.23 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.08 1gks s THR 13 CO 0.62 -0.27 1.75 0.00 -0.54 0.00 0.00 174.62 176.19 1gks h SER 15 N 0.64 -0.13 -1.00 0.00 4.64 -1.77 -0.46 113.55 115.48 1gks h SER 15 Ca 0.17 0.13 0.36 0.00 -0.47 0.00 0.00 61.79 61.98 1gks h SER 15 Cb 0.07 0.21 -0.16 0.00 -0.31 0.00 0.00 62.40 62.21 1gks h SER 15 CO -0.03 -0.05 0.53 0.28 -0.87 0.00 0.00 176.83 176.69 1gks h SER 16 N 0.19 0.39 0.00 4.97 0.02 -1.82 0.74 113.55 118.04 1gks h SER 16 Ca 0.32 0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 61.41 1gks h SER 16 Cb 0.51 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1gks h SER 16 CO -0.47 -0.27 -1.21 0.00 -1.14 0.00 0.00 176.83 173.74 1gks h HIS 18 N -1.00 1.19 -0.25 0.00 3.86 -0.97 0.61 115.15 118.59 1gks h HIS 18 Ca -0.13 -0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.10 1gks h HIS 18 Cb 1.05 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1gks h HIS 18 CO -0.32 0.86 0.18 0.22 0.86 0.00 0.00 177.93 179.72 1gks h ASP 19 N 1.18 0.00 -0.14 2.45 3.58 -1.03 -0.99 116.42 121.48 1gks h ASP 19 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1gks h ASP 19 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1gks h ASP 19 CO -0.04 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.86 1gks n ARG 20 N -4.43 2.28 -4.16 0.28 5.12 -1.00 -4.92 116.66 109.83 1gks n ARG 20 Ca 0.03 -2.50 -0.35 0.00 -1.93 0.00 0.00 57.85 53.10 1gks n ARG 20 Cb 0.33 -1.55 -0.02 0.00 -1.16 0.00 0.00 32.46 30.07 1gks n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gks n GLY 21 N -0.77 -0.45 3.68 -0.13 0.00 -0.37 -4.86 105.19 102.28 1gks n GLY 21 Ca 0.16 0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.45 1.10 -2.65 1.61 0.31 0.08 -1.09 118.33 113.24 1gks n VAL 22 Ca 0.07 -0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 63.97 1gks n VAL 22 Cb 0.50 -1.49 -0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 1.69 -0.84 -1.51 3.52 0.00 -1.26 -0.70 120.51 121.41 1gks n ALA 23 Ca 0.11 0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 1gks n ALA 23 Cb 0.32 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.91 0.63 3.71 0.00 0.00 -0.25 -4.94 105.19 103.43 1gks n GLY 24 Ca -0.12 -0.70 -0.42 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 0.30 1.49 -1.66 4.61 0.00 0.12 -4.85 120.51 120.52 1gks n ALA 25 Ca -0.07 0.33 -0.44 0.00 0.00 0.00 0.00 53.44 53.25 1gks n ALA 25 Cb 0.34 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 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 0.38 2.59 -2.00 0.00 -0.04 -1.26 -4.53 135.00 130.15 1gks n PRO 26 Ca 0.05 0.94 -0.29 0.00 -0.04 0.00 0.00 63.50 64.16 1gks n PRO 26 Cb 0.38 -2.90 0.07 0.00 -0.04 0.00 0.00 33.50 31.00 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 4.46 2.40 0.71 0.54 2.02 -1.26 -4.87 118.70 122.71 1gks s GLU 27 Ca 0.91 0.16 -0.11 0.00 0.02 0.00 0.00 54.97 55.95 1gks s GLU 27 Cb -0.52 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 31.69 1gks s GLU 27 CO 0.45 -1.26 1.07 -0.51 0.02 0.00 0.00 175.26 175.04 1gks s LEU 28 N -5.39 2.95 -1.31 1.80 1.02 -1.26 -3.96 118.68 112.53 1gks s LEU 28 Ca 0.60 1.39 -0.12 0.00 0.02 0.00 0.00 54.13 56.02 1gks s LEU 28 Cb -0.11 -4.21 0.02 0.00 0.02 0.00 0.00 46.19 41.90 1gks s LEU 28 CO 0.49 -1.46 0.22 -0.46 0.02 0.00 0.00 176.35 175.16 1gks n ASN 29 N -3.11 -0.76 -3.08 2.29 6.94 -1.24 -4.90 115.26 111.39 1gks n ASN 29 Ca 0.07 -1.18 -0.18 0.00 -0.02 0.00 0.00 54.58 53.27 1gks n ASN 29 Cb 0.55 -1.45 -0.02 0.00 -2.36 0.00 0.00 39.78 36.51 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 -4.44 1.40 -0.38 -2.53 0.00 -1.25 -4.98 120.51 108.33 1gks n ALA 30 Ca -0.23 -2.92 -0.03 0.00 0.00 0.00 0.00 53.44 50.26 1gks n ALA 30 Cb 0.59 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 19.09 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 0.88 -0.27 -0.30 0.00 -0.02 -1.26 -1.03 135.00 133.00 1gks n PRO 31 Ca 0.19 1.47 0.12 0.00 -2.02 0.00 0.00 63.50 63.26 1gks n PRO 31 Cb 0.61 -2.17 0.27 0.00 -0.02 0.00 0.00 33.50 32.19 1gks n PRO 31 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1gks h GLU 32 N 0.00 0.14 -0.97 -0.52 9.09 -1.97 0.19 114.58 120.54 1gks h GLU 32 Ca 0.29 -0.01 0.14 0.00 0.05 0.00 0.00 59.36 59.83 1gks h GLU 32 Cb 0.53 -0.03 -0.09 0.00 -1.65 0.00 0.00 28.75 27.51 1gks h GLU 32 CO -0.94 0.09 0.61 -0.44 0.05 0.00 0.00 179.01 178.39 1gks h ASP 33 N 0.15 0.82 0.36 3.06 5.19 -1.45 -0.96 116.42 123.59 1gks h ASP 33 Ca 0.54 0.06 -0.31 0.00 -0.62 0.00 0.00 57.03 56.69 1gks h ASP 33 Cb 1.07 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.42 1gks h ASP 33 CO -0.71 0.40 -1.89 0.79 -3.12 0.00 0.00 179.24 174.72 1gks n TRP 34 N -4.63 0.73 -0.28 4.55 7.02 0.23 -3.70 117.44 121.36 1gks n TRP 34 Ca 0.19 0.26 -0.06 0.00 -1.02 0.00 0.00 57.50 56.88 1gks n TRP 34 Cb 0.43 -1.13 0.06 0.00 -2.42 0.00 0.00 31.31 28.25 1gks n TRP 34 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gks h ALA 35 N 1.01 0.98 -0.62 6.99 0.00 -0.17 -2.75 119.26 124.70 1gks h ALA 35 Ca -0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1gks h ALA 35 Cb 2.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1gks h ALA 35 CO 0.06 0.54 0.20 -0.44 0.00 0.00 0.00 179.25 179.61 1gks h ASP 36 N 1.07 0.91 -4.34 0.00 3.32 -1.34 -3.45 116.42 112.59 1gks h ASP 36 Ca 0.26 -0.21 -0.49 0.00 0.02 0.00 0.00 57.03 56.61 1gks h ASP 36 Cb 0.11 -0.24 0.10 0.00 0.22 0.00 0.00 39.33 39.53 1gks h ASP 36 CO -0.03 0.87 0.36 -0.13 -1.72 0.00 0.00 179.24 178.59 1gks s ARG 37 N -5.42 2.39 -0.92 3.56 0.52 -1.04 -4.92 118.95 113.13 1gks s ARG 37 Ca -0.13 0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 55.46 1gks s ARG 37 Cb 0.13 -1.95 -0.07 0.00 0.52 0.00 0.00 34.95 33.58 1gks s ARG 37 CO 0.81 -1.40 2.02 -1.25 0.02 0.00 0.00 175.30 175.51 1gks s PRO 38 N -5.20 2.36 0.64 3.54 0.04 -1.26 -4.77 135.00 130.34 1gks s PRO 38 Ca 0.60 -0.27 0.28 0.00 0.04 0.00 0.00 61.00 61.64 1gks s PRO 38 Cb -0.13 -5.04 1.47 0.00 0.04 0.00 0.00 34.50 30.84 1gks s PRO 38 CO 0.54 -3.68 1.85 0.77 0.04 0.00 0.00 177.00 176.52 1gks h SER 39 N 11.34 0.00 -1.61 6.66 0.02 -1.86 -3.37 113.55 124.74 1gks h SER 39 Ca 0.09 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.45 1gks h SER 39 Cb 1.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1gks h SER 39 CO 1.17 0.00 1.50 -1.20 -1.14 0.00 0.00 176.83 177.17 1gks n SER 40 N -3.17 2.71 -0.29 3.07 7.64 -1.26 -4.85 113.62 117.47 1gks n SER 40 Ca 0.02 0.15 0.10 0.00 1.01 0.00 0.00 58.87 60.16 1gks n SER 40 Cb 0.54 -1.46 0.24 0.00 -1.01 0.00 0.00 64.21 62.51 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 7.25 0.25 -1.16 0.44 2.07 -1.99 0.11 116.25 123.22 1gks h VAL 41 Ca -0.33 -0.04 0.36 0.00 0.82 0.00 0.00 66.70 67.50 1gks h VAL 41 Cb 1.27 0.12 -0.12 0.00 -1.52 0.00 0.00 31.29 31.04 1gks h VAL 41 CO 1.02 0.02 0.74 0.44 0.02 0.00 0.00 177.57 179.80 1gks h ASP 42 N 0.11 0.36 0.00 0.57 5.19 -1.93 0.42 116.42 121.15 1gks h ASP 42 Ca 0.51 0.13 -0.17 0.00 -0.62 0.00 0.00 57.03 56.87 1gks h ASP 42 Cb 0.98 0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 1gks h ASP 42 CO -0.73 -0.09 -1.09 -0.62 -3.12 0.00 0.00 179.24 173.59 1gks n GLU 43 N -4.74 0.53 -0.29 3.56 -0.58 0.32 -4.22 120.64 115.22 1gks n GLU 43 Ca 0.32 0.56 0.11 0.00 -0.42 0.00 0.00 57.16 57.73 1gks n GLU 43 Cb 1.16 -1.73 0.25 0.00 -0.57 0.00 0.00 31.44 30.55 1gks n GLU 43 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1gks h LEU 44 N -1.00 -0.21 -1.46 -4.62 3.38 -0.48 0.23 115.31 111.15 1gks h LEU 44 Ca -0.26 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1gks h LEU 44 Cb 1.10 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1gks h LEU 44 CO -0.16 -0.21 0.19 -0.37 0.09 0.00 0.00 178.44 177.98 1gks h VAL 45 N 0.13 1.14 -0.16 1.22 -1.51 -1.15 0.74 116.25 116.66 1gks h VAL 45 Ca 0.52 -0.40 -0.03 0.00 -1.23 0.00 0.00 66.70 65.56 1gks h VAL 45 Cb 1.01 0.64 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1gks h VAL 45 CO -0.71 0.16 -0.03 -0.33 -1.23 0.00 0.00 177.57 175.43 1gks h GLU 46 N 0.55 0.30 -0.58 5.19 5.08 -0.73 0.18 114.58 124.57 1gks h GLU 46 Ca 0.14 -0.11 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1gks h GLU 46 Cb 0.07 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1gks h GLU 46 CO -0.02 0.56 0.18 0.77 -1.00 0.00 0.00 179.01 179.51 1gks h SER 47 N 0.00 0.14 0.18 1.42 0.02 -0.95 0.10 113.55 114.47 1gks h SER 47 Ca 0.04 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1gks h SER 47 Cb 0.45 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1gks h SER 47 CO 0.01 0.09 -0.09 0.74 -1.14 0.00 0.00 176.83 176.45 1gks h THR 48 N 0.35 0.87 -0.50 -2.27 2.02 -0.55 0.22 112.91 113.05 1gks h THR 48 Ca 0.29 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 67.13 1gks h THR 48 Cb 0.38 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1gks h THR 48 CO -0.32 0.05 -0.15 0.17 0.37 0.00 0.00 175.52 175.64 1gks h LEU 49 N -0.36 1.00 -0.74 2.58 8.10 -0.30 -2.84 115.31 122.75 1gks h LEU 49 Ca -0.03 -0.37 -0.12 0.00 0.11 0.00 0.00 57.88 57.47 1gks h LEU 49 Cb 0.28 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1gks h LEU 49 CO 0.04 1.14 -0.37 0.00 -4.11 0.00 0.00 178.44 175.14 1gks h ALA 50 N 0.89 0.92 0.00 0.17 0.00 -0.79 0.34 119.26 120.79 1gks h ALA 50 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1gks h ALA 50 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1gks h ALA 50 CO 0.06 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.34 1gks n GLY 51 N -0.11 2.41 3.57 0.00 0.00 0.78 -4.20 105.19 107.64 1gks n GLY 51 Ca -0.01 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.50 0.60 5.64 1.61 2.20 -0.66 -4.76 119.74 120.86 1gks s LYS 52 Ca 0.00 1.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1gks s LYS 52 Cb 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1gks s LYS 52 CO 0.00 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1gks n GLY 53 N 4.80 2.95 0.21 5.54 0.00 -1.26 -0.53 105.19 116.90 1gks n GLY 53 Ca -0.17 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.87 1.00 -2.13 4.61 0.00 -1.98 -3.43 119.26 116.46 1gks h ALA 54 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1gks h ALA 54 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gks h ALA 54 CO 0.00 0.00 1.09 1.41 0.00 0.00 0.00 179.25 181.75 1gks s MET 55 N -3.59 3.98 0.65 0.00 0.00 0.31 -4.99 119.30 115.66 1gks s MET 55 Ca 0.00 1.84 -0.15 0.00 0.00 0.00 0.00 55.69 57.39 1gks s MET 55 Cb 0.09 -3.99 -0.00 0.00 0.00 0.00 0.00 34.83 30.93 1gks s MET 55 CO 0.39 -1.07 1.10 -1.25 0.00 0.00 0.00 175.02 174.19 1gks s PRO 56 N 4.31 2.86 0.25 4.11 0.04 -1.26 -1.65 135.00 143.66 1gks s PRO 56 Ca 0.70 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.80 1gks s PRO 56 Cb -0.27 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 1gks s PRO 56 CO 0.27 -1.20 1.58 0.00 0.04 0.00 0.00 177.00 177.69 1gks s ALA 57 N -2.36 3.76 -1.68 8.56 0.00 -1.26 -4.43 121.76 124.34 1gks s ALA 57 Ca 0.66 1.49 0.17 0.00 0.00 0.00 0.00 51.96 54.28 1gks s ALA 57 Cb -0.20 -3.63 0.36 0.00 0.00 0.00 0.00 23.12 19.65 1gks s ALA 57 CO 0.41 -0.89 1.28 0.66 0.00 0.00 0.00 175.76 177.22 1gks n TYR 58 N 2.75 0.47 -1.29 0.00 4.01 0.64 -4.91 117.16 118.84 1gks n TYR 58 Ca 0.10 -0.33 -0.57 0.00 -0.16 0.00 0.00 57.90 56.94 1gks n TYR 58 Cb 0.38 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.04 0.78 0.00 7.72 2.03 0.88 0.04 116.55 129.04 1gks n ASP 59 Ca 0.15 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.07 1gks n ASP 59 Cb 0.49 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 7.33 2.88 0.14 0.27 0.00 -1.26 -4.75 105.19 109.80 1gks n GLY 60 Ca 0.55 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 0.94 0.39 -4.87 1.61 3.08 -0.76 -3.40 114.38 111.37 1gks h ARG 61 Ca 0.00 -0.45 -0.65 0.00 0.07 0.00 0.00 59.98 58.95 1gks h ARG 61 Cb 0.00 0.13 -0.36 0.00 0.08 0.00 0.00 29.97 29.82 1gks h ARG 61 CO 0.00 1.12 -0.83 0.00 -1.07 0.00 0.00 179.97 179.19 1gks s ALA 62 N -3.11 2.26 0.51 0.04 0.00 -0.06 -4.98 121.76 116.42 1gks s ALA 62 Ca -0.13 -1.30 -0.18 0.00 0.00 0.00 0.00 51.96 50.35 1gks s ALA 62 Cb 0.03 -1.27 -0.08 0.00 0.00 0.00 0.00 23.12 21.80 1gks s ALA 62 CO 0.82 -0.63 1.00 0.34 0.00 0.00 0.00 175.76 177.29 1gks s ASP 63 N 1.30 6.46 0.04 0.00 2.15 -1.26 -4.62 116.67 120.73 1gks s ASP 63 Ca 0.01 1.72 -0.02 0.00 0.43 0.00 0.00 52.55 54.69 1gks s ASP 63 Cb -0.15 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1gks s ASP 63 CO -0.10 -0.70 0.25 -1.14 -0.17 0.00 0.00 175.17 173.31 1gks n ARG 64 N -1.34 -0.03 0.36 4.34 3.00 -1.26 -0.04 116.66 121.69 1gks n ARG 64 Ca 0.08 0.24 -0.18 0.00 -0.00 0.00 0.00 57.85 57.99 1gks n ARG 64 Cb 0.53 -0.36 -0.09 0.00 0.00 0.00 0.00 32.46 32.54 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 -0.86 -0.27 -0.14 4.39 -1.99 0.83 114.58 116.54 1gks h GLU 65 Ca 0.06 0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.88 1gks h GLU 65 Cb 0.10 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1gks h GLU 65 CO -0.16 -0.56 -0.06 -0.44 -1.16 0.00 0.00 179.01 176.63 1gks h ASP 66 N -0.92 -0.23 0.14 1.42 3.32 -0.81 0.04 116.42 119.38 1gks h ASP 66 Ca -0.09 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.05 1gks h ASP 66 Cb 0.69 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 1gks h ASP 66 CO 0.15 -0.08 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.05 1gks h LEU 67 N 0.01 -1.39 -0.16 1.55 3.38 -0.94 0.14 115.31 117.91 1gks h LEU 67 Ca 0.13 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.29 1gks h LEU 67 Cb 0.20 0.52 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1gks h LEU 67 CO -0.27 -0.53 -0.47 0.58 0.09 0.00 0.00 178.44 177.83 1gks h VAL 68 N -0.71 0.08 -0.12 1.22 2.07 -0.45 0.12 116.25 118.46 1gks h VAL 68 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1gks h VAL 68 Cb 0.73 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1gks h VAL 68 CO -0.25 0.00 0.12 0.11 0.02 0.00 0.00 177.57 177.57 1gks h LYS 69 N -0.52 0.00 0.00 1.57 1.57 -0.68 -0.24 116.57 118.28 1gks h LYS 69 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1gks h LYS 69 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1gks h LYS 69 CO -0.43 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 178.43 1gks h ALA 70 N 1.87 0.00 -0.75 3.86 0.00 0.36 0.27 119.26 124.87 1gks h ALA 70 Ca 0.06 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1gks h ALA 70 Cb 0.30 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 1gks h ALA 70 CO -0.00 0.02 0.28 0.82 0.00 0.00 0.00 179.25 180.37 1gks h ILE 71 N -1.00 0.64 -0.92 0.00 2.04 -0.45 -0.09 117.51 117.72 1gks h ILE 71 Ca -0.00 -0.14 0.14 0.00 1.00 0.00 0.00 64.86 65.86 1gks h ILE 71 Cb 0.08 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.26 1gks h ILE 71 CO -0.00 0.08 0.59 1.05 0.00 0.00 0.00 178.15 179.87 1gks h GLU 72 N 0.42 0.72 -0.40 2.37 4.11 -1.23 0.57 114.58 121.14 1gks h GLU 72 Ca 0.41 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.76 1gks h GLU 72 Cb 0.64 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1gks h GLU 72 CO -0.42 0.48 0.08 -0.92 0.07 0.00 0.00 179.01 178.30 1gks h TYR 73 N 0.75 0.70 0.26 2.06 3.20 -1.17 0.12 116.97 122.88 1gks h TYR 73 Ca 0.47 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 62.25 1gks h TYR 73 Cb 0.71 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1gks h TYR 73 CO -0.00 0.68 -0.45 0.52 -1.64 0.00 0.00 178.16 177.26 1gks h MET 74 N 0.51 -0.75 -0.83 1.82 2.86 -0.79 -1.63 114.93 116.12 1gks h MET 74 Ca 0.12 0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.93 1gks h MET 74 Cb 0.35 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.12 1gks h MET 74 CO 0.01 -0.50 0.54 -0.07 1.06 0.00 0.00 176.91 177.95 1gks h LEU 75 N -0.78 0.65 -0.09 1.22 4.07 -0.98 -0.77 115.31 118.63 1gks h LEU 75 Ca -0.01 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1gks h LEU 75 Cb 0.75 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1gks h LEU 75 CO -0.18 0.37 0.00 -1.20 -1.08 0.00 0.00 178.44 176.35 1gks n SER 76 N -4.53 0.04 -0.04 -0.43 7.64 0.39 -1.19 113.62 115.51 1gks n SER 76 Ca 0.15 0.52 0.12 0.00 1.01 0.00 0.00 58.87 60.67 1gks n SER 76 Cb 0.39 -0.52 0.31 0.00 -1.01 0.00 0.00 64.21 63.38 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 -1.56 0.00 1.84 0.44 -2.24 -0.30 -5.07 114.28 107.40 1gks n THR 77 Ca 0.01 -0.02 0.15 0.00 -2.27 0.00 0.00 64.05 61.92 1gks n THR 77 Cb 0.05 0.20 0.81 0.00 -2.10 0.00 0.00 70.33 69.29 1gks n THR 77 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68