#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2goo s SER 13 N 0.00 5.72 -0.35 -3.46 0.01 -1.26 -1.17 113.70 113.19 2goo s SER 13 Ca 0.00 1.72 -0.42 0.00 1.31 0.00 0.00 55.95 58.56 2goo s SER 13 Cb 0.00 -2.52 -0.17 0.00 0.21 0.00 0.00 66.02 63.55 2goo s SER 13 CO 0.00 -1.21 1.74 0.00 0.41 0.00 0.00 173.24 174.18 2goo s LYS 15 N 3.62 1.82 0.09 0.00 -2.85 -0.79 -4.93 119.74 116.69 2goo s LYS 15 Ca 1.01 -1.14 -0.29 0.00 -1.00 0.00 0.00 55.97 54.56 2goo s LYS 15 Cb -1.19 0.58 -0.06 0.00 -2.06 0.00 0.00 37.83 35.11 2goo s LYS 15 CO 0.70 -0.82 0.92 0.50 0.10 0.00 0.00 175.35 176.74 2goo s ARG 16 N -3.65 4.64 0.17 1.78 3.52 -1.26 -1.53 118.95 122.62 2goo s ARG 16 Ca 0.15 1.36 0.11 0.00 -0.13 0.00 0.00 55.73 57.21 2goo s ARG 16 Cb -0.05 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 2goo s ARG 16 CO 0.09 0.21 -0.24 -1.01 -0.81 0.00 0.00 175.30 173.54 2goo s HIS 17 N 0.06 2.33 0.50 5.12 3.76 0.88 -4.98 115.29 122.95 2goo s HIS 17 Ca 0.45 -0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 54.79 2goo s HIS 17 Cb -0.22 -1.18 -0.07 0.00 1.11 0.00 0.00 32.58 32.22 2goo s HIS 17 CO 0.28 0.46 1.15 -1.25 -0.85 0.00 0.00 174.74 174.53 2goo s PRO 18 N -2.51 3.59 -0.30 8.40 0.04 -1.26 -1.80 135.00 141.16 2goo s PRO 18 Ca 0.19 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 2goo s PRO 18 Cb -0.09 -2.24 0.19 0.00 0.04 0.00 0.00 34.50 32.41 2goo s PRO 18 CO 0.09 -0.68 0.79 -1.17 0.04 0.00 0.00 177.00 176.07 2goo s LEU 19 N -3.35 -1.03 -0.22 -3.56 2.96 -1.26 -4.69 118.68 107.52 2goo s LEU 19 Ca 0.67 0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 54.95 2goo s LEU 19 Cb -0.27 1.81 -0.04 0.00 0.50 0.00 0.00 46.19 48.19 2goo s LEU 19 CO 0.31 -0.19 0.33 -0.47 -1.32 0.00 0.00 176.35 175.01 2goo s TYR 20 N 2.90 3.33 -0.40 5.38 5.04 -1.26 -0.31 117.35 132.03 2goo s TYR 20 Ca 0.13 0.47 -0.18 0.00 -2.44 0.00 0.00 57.07 55.05 2goo s TYR 20 Cb -0.12 -2.46 0.01 0.00 0.35 0.00 0.00 41.96 39.75 2goo s TYR 20 CO -0.19 -0.03 0.49 0.08 -1.34 0.00 0.00 175.55 174.57 2goo s VAL 21 N 1.37 5.02 -0.25 3.14 1.01 0.12 -4.93 120.40 125.88 2goo s VAL 21 Ca 0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 2goo s VAL 21 Cb -0.15 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2goo s VAL 21 CO 0.07 -0.39 0.17 -0.62 0.00 0.00 0.00 175.10 174.34 2goo s ASP 22 N 1.84 6.10 0.50 3.32 3.68 -1.26 -0.96 116.67 129.89 2goo s ASP 22 Ca 0.16 0.09 0.28 0.00 2.13 0.00 0.00 52.55 55.21 2goo s ASP 22 Cb -0.16 -2.11 1.28 0.00 -1.45 0.00 0.00 42.92 40.48 2goo s ASP 22 CO 0.15 0.03 1.97 -0.26 0.13 0.00 0.00 175.17 177.19 2goo h PHE 23 N 7.73 0.00 -0.26 -5.34 0.05 -1.60 -2.24 116.94 115.27 2goo h PHE 23 Ca -0.37 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.39 2goo h PHE 23 Cb 1.17 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.11 2goo h PHE 23 CO 0.69 0.14 0.07 0.77 -0.18 0.00 0.00 178.31 179.80 2goo h SER 24 N 0.00 0.39 -0.90 2.17 0.02 -1.91 0.32 113.55 113.64 2goo h SER 24 Ca -0.00 -0.23 0.14 0.00 -0.84 0.00 0.00 61.79 60.86 2goo h SER 24 Cb 0.51 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 2goo h SER 24 CO 0.02 0.52 0.58 0.44 -1.14 0.00 0.00 176.83 177.24 2goo h ASP 25 N 0.25 0.68 0.02 3.07 5.19 -1.80 -2.37 116.42 121.45 2goo h ASP 25 Ca 0.08 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2goo h ASP 25 Cb 0.27 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2goo h ASP 25 CO 0.00 0.34 -0.17 1.33 -3.12 0.00 0.00 179.24 177.62 2goo n VAL 26 N -4.57 0.00 -2.21 -1.35 0.24 -1.14 -4.96 118.33 104.33 2goo n VAL 26 Ca 0.17 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2goo n VAL 26 Cb 0.46 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 2goo n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2goo n GLY 27 N 1.33 0.62 0.52 7.63 0.00 -0.86 -4.98 105.19 109.46 2goo n GLY 27 Ca 0.13 -0.80 0.05 0.00 0.00 0.00 0.00 46.02 45.41 2goo n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2goo n TRP 28 N -3.36 0.42 0.07 1.61 8.01 0.11 -4.63 117.44 119.67 2goo n TRP 28 Ca 0.00 -0.58 0.07 0.00 -1.31 0.00 0.00 57.50 55.68 2goo n TRP 28 Cb 0.50 -0.08 0.51 0.00 -2.01 0.00 0.00 31.31 30.23 2goo n TRP 28 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.69 175.71 2goo h ASN 29 N 1.49 0.30 0.84 -0.99 -0.73 -1.83 -1.32 115.58 113.33 2goo h ASN 29 Ca 0.00 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2goo h ASN 29 Cb 0.80 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.32 2goo h ASN 29 CO 0.03 0.21 0.00 -0.90 -0.37 0.00 0.00 177.43 176.40 2goo n ASP 30 N -4.49 0.66 0.00 1.15 5.75 -1.26 -4.10 116.55 114.26 2goo n ASP 30 Ca 0.02 0.65 0.00 0.00 -0.01 0.00 0.00 54.79 55.45 2goo n ASP 30 Cb 0.12 -0.79 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 2goo n ASP 30 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 2goo n TRP 31 N -2.21 0.00 -3.56 2.11 -0.00 -0.91 -4.90 117.44 107.97 2goo n TRP 31 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.13 2goo n TRP 31 Cb 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.46 2goo n TRP 31 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2goo s ILE 32 N -1.99 5.22 0.03 5.87 1.01 -0.55 -0.53 121.20 130.26 2goo s ILE 32 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 60.65 60.63 2goo s ILE 32 Cb 0.00 -3.62 -0.14 0.00 0.01 0.00 0.00 42.46 38.71 2goo s ILE 32 CO 0.00 0.08 1.26 -0.37 0.00 0.00 0.00 174.94 175.91 2goo h VAL 33 N 5.47 1.41 -1.82 2.92 -1.51 -1.18 -3.44 116.25 118.11 2goo h VAL 33 Ca -0.33 -3.04 0.00 0.00 -1.23 0.00 0.00 66.70 62.11 2goo h VAL 33 Cb 1.17 2.69 -0.22 0.00 -2.13 0.00 0.00 31.29 32.79 2goo h VAL 33 CO 0.61 0.80 0.31 0.00 -1.23 0.00 0.00 177.57 178.06 2goo s ALA 34 N -2.77 -1.85 0.92 5.19 0.00 -1.05 -4.71 121.76 117.49 2goo s ALA 34 Ca 0.01 1.70 -0.14 0.00 0.00 0.00 0.00 51.96 53.54 2goo s ALA 34 Cb 0.09 -0.81 0.15 0.00 0.00 0.00 0.00 23.12 22.55 2goo s ALA 34 CO 0.80 -0.32 1.19 -1.25 0.00 0.00 0.00 175.76 176.19 2goo s PRO 35 N -0.41 1.03 0.53 0.00 0.04 -1.26 -0.30 135.00 134.64 2goo s PRO 35 Ca -0.03 0.03 0.34 0.00 0.04 0.00 0.00 61.00 61.38 2goo s PRO 35 Cb -0.03 -1.85 1.53 0.00 0.04 0.00 0.00 34.50 34.20 2goo s PRO 35 CO 0.02 -2.22 2.02 -1.00 0.04 0.00 0.00 177.00 175.86 2goo h PRO 36 N -1.51 0.00 0.00 0.56 0.13 -1.93 -3.47 132.00 125.78 2goo h PRO 36 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2goo h PRO 36 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2goo h PRO 36 CO 0.54 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 2goo n GLY 37 N -0.23 -1.79 3.46 1.56 0.00 -1.26 -1.46 105.19 105.46 2goo n GLY 37 Ca -0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 2goo n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2goo s TYR 38 N -2.19 -0.58 -0.49 1.61 -0.85 -0.14 -4.97 117.35 109.75 2goo s TYR 38 Ca 0.00 0.65 -0.29 0.00 -0.52 0.00 0.00 57.07 56.91 2goo s TYR 38 Cb 0.00 0.48 0.03 0.00 0.38 0.00 0.00 41.96 42.85 2goo s TYR 38 CO 0.00 -0.74 1.21 -1.01 -1.52 0.00 0.00 175.55 173.49 2goo s HIS 39 N -2.64 2.67 -0.08 -3.49 3.76 -1.26 0.14 115.29 114.39 2goo s HIS 39 Ca -0.04 0.64 0.01 0.00 -0.15 0.00 0.00 55.06 55.52 2goo s HIS 39 Cb -0.01 -4.43 -0.25 0.00 1.11 0.00 0.00 32.58 29.00 2goo s HIS 39 CO -0.03 -1.49 0.52 0.00 -0.85 0.00 0.00 174.74 172.88 2goo h ALA 40 N 9.65 0.55 -2.90 -1.40 0.00 -0.95 -3.46 119.26 120.76 2goo h ALA 40 Ca -0.24 -1.40 0.33 0.00 0.00 0.00 0.00 54.91 53.60 2goo h ALA 40 Cb 1.07 0.59 -0.12 0.00 0.00 0.00 0.00 17.79 19.34 2goo h ALA 40 CO 1.13 1.40 -0.71 1.19 0.00 0.00 0.00 179.25 182.27 2goo n PHE 41 N -3.32 -3.24 -3.75 0.00 3.01 -0.62 -1.66 117.46 107.88 2goo n PHE 41 Ca -0.25 1.68 -0.10 0.00 1.01 0.00 0.00 57.45 59.79 2goo n PHE 41 Cb 1.05 -2.95 -0.04 0.00 -0.01 0.00 0.00 39.48 37.53 2goo n PHE 41 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 2goo s TYR 42 N -2.86 -0.06 -0.09 1.38 -0.85 -0.74 -4.74 117.35 109.38 2goo s TYR 42 Ca 0.00 -0.28 -0.02 0.00 -0.52 0.00 0.00 57.07 56.25 2goo s TYR 42 Cb 0.00 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 2goo s TYR 42 CO 0.00 -0.84 -0.00 0.00 -1.52 0.00 0.00 175.55 173.19 2goo s HIS 44 N -0.77 -0.62 0.00 0.00 5.04 -0.58 -4.83 115.29 113.53 2goo s HIS 44 Ca 0.12 1.42 0.00 0.00 -1.54 0.00 0.00 55.06 55.06 2goo s HIS 44 Cb -0.11 0.34 0.00 0.00 0.04 0.00 0.00 32.58 32.84 2goo s HIS 44 CO 0.02 -0.35 0.00 0.41 -2.34 0.00 0.00 174.74 172.48 2goo n GLY 45 N 2.08 3.50 3.76 1.59 0.00 -1.26 -1.89 105.19 112.97 2goo n GLY 45 Ca -0.14 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 2goo n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2goo s GLU 46 N -2.36 3.46 -0.59 1.61 2.12 -0.32 -3.80 118.70 118.82 2goo s GLU 46 Ca 0.00 1.93 -0.07 0.00 0.36 0.00 0.00 54.97 57.19 2goo s GLU 46 Cb 0.00 -2.30 0.15 0.00 0.26 0.00 0.00 34.13 32.25 2goo s GLU 46 CO 0.00 -0.84 0.45 0.00 -0.54 0.00 0.00 175.26 174.33 2goo s PRO 48 N 0.56 2.18 -0.03 0.00 0.04 -1.26 -4.69 135.00 131.81 2goo s PRO 48 Ca 0.13 -0.31 -0.20 0.00 0.04 0.00 0.00 61.00 60.65 2goo s PRO 48 Cb -0.21 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 2goo s PRO 48 CO -0.04 -1.23 0.56 0.12 0.04 0.00 0.00 177.00 176.46 2goo s PHE 49 N -3.22 3.65 0.69 0.56 5.36 -1.26 -3.31 117.98 120.46 2goo s PHE 49 Ca 0.60 1.13 -0.08 0.00 -0.96 0.00 0.00 56.93 57.62 2goo s PHE 49 Cb -0.10 -2.57 0.05 0.00 -0.34 0.00 0.00 43.02 40.05 2goo s PHE 49 CO 0.44 0.34 1.02 -1.25 -1.46 0.00 0.00 175.22 174.31 2goo s PRO 50 N -0.11 2.39 -0.32 10.12 0.04 -1.26 -5.09 135.00 140.78 2goo s PRO 50 Ca 0.30 -0.08 -0.20 0.00 0.04 0.00 0.00 61.00 61.05 2goo s PRO 50 Cb -0.17 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 2goo s PRO 50 CO 0.16 -1.15 0.63 -0.51 0.04 0.00 0.00 177.00 176.17 2goo s LEU 51 N -5.25 4.17 0.81 -3.56 1.43 -1.21 -5.04 118.68 110.03 2goo s LEU 51 Ca 0.59 0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 2goo s LEU 51 Cb -0.11 -2.81 0.08 0.00 0.03 0.00 0.00 46.19 43.38 2goo s LEU 51 CO 0.46 -0.51 1.09 0.00 0.23 0.00 0.00 176.35 177.63 2goo s ALA 52 N 2.63 2.08 0.25 4.21 0.00 -1.26 -4.93 121.76 124.75 2goo s ALA 52 Ca 0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 2goo s ALA 52 Cb -0.15 -3.15 0.50 0.00 0.00 0.00 0.00 23.12 20.32 2goo s ALA 52 CO 0.12 -1.87 1.68 0.22 0.00 0.00 0.00 175.76 175.92 2goo h ASP 53 N -1.19 0.02 0.34 0.00 1.82 -2.03 -1.63 116.42 113.75 2goo h ASP 53 Ca -0.47 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 2goo h ASP 53 Cb 1.26 0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.48 2goo h ASP 53 CO 0.57 -0.05 0.00 0.00 -1.61 0.00 0.00 179.24 178.15 2goo n HIS 54 N -5.16 0.00 1.37 0.28 1.44 -1.26 -1.99 115.22 109.89 2goo n HIS 54 Ca 0.15 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.00 2goo n HIS 54 Cb 0.49 -0.30 0.48 0.00 0.12 0.00 0.00 29.99 30.78 2goo n HIS 54 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2goo n LEU 55 N -1.30 1.01 -4.14 2.39 4.77 -0.61 -4.73 117.00 114.38 2goo n LEU 55 Ca 0.08 -0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 55.44 2goo n LEU 55 Cb 0.14 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2goo n LEU 55 CO 0.13 0.18 -0.32 0.59 -1.33 0.00 0.00 177.39 176.64 2goo n ASN 56 N -0.51 -1.13 -4.83 -1.43 3.02 -0.84 -1.18 115.26 108.37 2goo n ASN 56 Ca 0.15 -1.21 -0.33 0.00 -0.03 0.00 0.00 54.58 53.16 2goo n ASN 56 Cb 0.33 -1.48 -0.05 0.00 -0.61 0.00 0.00 39.78 37.97 2goo n ASN 56 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2goo s SER 57 N -4.01 6.75 0.70 6.41 0.01 -1.26 -4.69 113.70 117.62 2goo s SER 57 Ca 0.20 1.64 -0.11 0.00 1.31 0.00 0.00 55.95 58.98 2goo s SER 57 Cb -0.11 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.61 2goo s SER 57 CO 0.92 -0.49 1.08 0.42 0.41 0.00 0.00 173.24 175.58 2goo s THR 58 N -2.40 3.67 0.30 1.44 -4.23 -1.26 -4.96 115.64 108.20 2goo s THR 58 Ca 0.61 0.54 0.05 0.00 -1.18 0.00 0.00 61.69 61.71 2goo s THR 58 Cb -0.10 -3.48 0.30 0.00 1.34 0.00 0.00 72.50 70.56 2goo s THR 58 CO 0.23 -0.71 1.81 0.78 -0.54 0.00 0.00 174.62 176.19 2goo h ASN 59 N -0.67 0.82 -0.15 3.99 2.35 -1.98 -2.69 115.58 117.25 2goo h ASN 59 Ca -0.45 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2goo h ASN 59 Cb 1.24 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 2goo h ASN 59 CO 0.62 0.37 0.09 -0.74 -1.65 0.00 0.00 177.43 176.12 2goo h HIS 60 N 0.84 0.20 -0.54 1.19 2.76 -1.99 -0.91 115.15 116.69 2goo h HIS 60 Ca 0.53 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.69 2goo h HIS 60 Cb 0.73 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.60 2goo h HIS 60 CO -0.00 0.16 0.29 0.00 -1.30 0.00 0.00 177.93 177.08 2goo h ALA 61 N 1.02 1.50 -0.25 5.26 0.00 -1.86 -0.38 119.26 124.56 2goo h ALA 61 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2goo h ALA 61 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2goo h ALA 61 CO -0.01 0.41 0.05 0.82 0.00 0.00 0.00 179.25 180.52 2goo h ILE 62 N 0.74 1.22 -0.32 0.00 2.04 -1.15 -1.17 117.51 118.89 2goo h ILE 62 Ca 0.19 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 2goo h ILE 62 Cb 0.02 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2goo h ILE 62 CO -0.03 0.24 0.12 0.58 0.00 0.00 0.00 178.15 179.06 2goo h VAL 63 N 0.23 1.19 -1.01 1.67 2.07 -0.87 -2.23 116.25 117.30 2goo h VAL 63 Ca 0.08 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2goo h VAL 63 Cb 0.31 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2goo h VAL 63 CO 0.00 0.20 0.67 -0.61 0.02 0.00 0.00 177.57 177.85 2goo h GLN 64 N 0.36 1.29 -0.76 1.57 4.15 -1.07 0.16 115.11 120.81 2goo h GLN 64 Ca 0.10 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 2goo h GLN 64 Cb 0.20 -0.29 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 2goo h GLN 64 CO -0.01 0.85 0.47 1.15 -1.93 0.00 0.00 178.83 179.36 2goo h THR 65 N 1.32 1.21 -0.31 2.39 2.02 -1.05 0.75 112.91 119.24 2goo h THR 65 Ca 0.38 -0.45 -0.14 0.00 0.77 0.00 0.00 66.41 66.98 2goo h THR 65 Cb -0.08 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 2goo h THR 65 CO -0.10 0.22 -0.38 -0.07 0.37 0.00 0.00 175.52 175.56 2goo h LEU 66 N 1.03 0.78 -0.49 2.58 3.38 -0.87 -2.15 115.31 119.57 2goo h LEU 66 Ca 0.27 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2goo h LEU 66 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2goo h LEU 66 CO -0.05 1.07 0.01 0.58 0.09 0.00 0.00 178.44 180.14 2goo h VAL 67 N 0.61 1.26 -0.77 1.22 2.07 -0.48 -2.78 116.25 117.38 2goo h VAL 67 Ca 0.05 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.59 2goo h VAL 67 Cb 0.92 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 2goo h VAL 67 CO 0.08 0.37 0.50 -1.13 0.02 0.00 0.00 177.57 177.41 2goo h ASN 68 N 0.72 0.70 -0.46 0.57 -0.73 -0.79 -0.93 115.58 114.66 2goo h ASN 68 Ca 0.14 0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.34 2goo h ASN 68 Cb 0.50 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 2goo h ASN 68 CO 0.02 0.44 0.31 0.28 -0.37 0.00 0.00 177.43 178.11 2goo h SER 69 N 0.79 0.46 0.50 1.15 0.02 -1.12 -2.85 113.55 112.50 2goo h SER 69 Ca 0.34 -0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 60.98 2goo h SER 69 Cb 0.29 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2goo h SER 69 CO -0.12 0.32 -1.63 0.58 -1.14 0.00 0.00 176.83 174.84 2goo h VAL 70 N 0.53 0.98 -1.48 2.27 2.07 -1.11 -3.45 116.25 116.07 2goo h VAL 70 Ca 0.18 -2.76 -0.02 0.00 0.82 0.00 0.00 66.70 64.92 2goo h VAL 70 Cb 0.07 2.55 -0.25 0.00 -1.52 0.00 0.00 31.29 32.14 2goo h VAL 70 CO -0.04 0.67 -0.35 0.21 0.02 0.00 0.00 177.57 178.07 2goo s ASN 71 N -6.48 -0.66 0.00 0.57 3.84 -0.45 -5.05 114.94 106.71 2goo s ASN 71 Ca -0.07 0.65 0.22 0.00 0.21 0.00 0.00 52.86 53.87 2goo s ASN 71 Cb 0.08 1.71 1.30 0.00 -0.55 0.00 0.00 41.25 43.79 2goo s ASN 71 CO 0.82 -0.27 1.70 -1.54 -2.79 0.00 0.00 177.10 175.02 2goo n SER 72 N 5.40 0.00 0.22 -4.21 3.41 -1.08 -2.30 113.62 115.06 2goo n SER 72 Ca -0.03 -0.63 0.06 0.00 -0.26 0.00 0.00 58.87 58.01 2goo n SER 72 Cb 0.50 -0.03 0.55 0.00 -0.26 0.00 0.00 64.21 64.98 2goo n SER 72 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2goo h LYS 73 N 0.00 0.05 -6.10 4.33 1.57 -1.93 -3.39 116.57 111.10 2goo h LYS 73 Ca 0.00 -0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 58.19 2goo h LYS 73 Cb 0.02 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 2goo h LYS 73 CO 0.00 0.13 0.81 0.42 -0.57 0.00 0.00 179.45 180.23 2goo s ILE 74 N -4.88 4.66 0.71 1.86 -1.09 -0.97 -5.02 121.20 116.47 2goo s ILE 74 Ca -0.05 2.00 -0.15 0.00 -2.23 0.00 0.00 60.65 60.22 2goo s ILE 74 Cb 0.16 -4.32 0.03 0.00 -1.58 0.00 0.00 42.46 36.76 2goo s ILE 74 CO 0.69 -0.21 1.17 -2.16 -1.23 0.00 0.00 174.94 173.20 2goo s PRO 75 N 3.25 2.32 0.68 2.79 0.04 -1.26 -4.29 135.00 138.53 2goo s PRO 75 Ca 0.44 1.63 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 2goo s PRO 75 Cb -0.15 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2goo s PRO 75 CO 0.07 -1.67 1.19 0.15 0.04 0.00 0.00 177.00 176.78 2goo s LYS 76 N -3.99 2.49 1.05 4.56 1.02 -1.26 -4.70 119.74 118.90 2goo s LYS 76 Ca 0.72 1.71 -0.14 0.00 0.02 0.00 0.00 55.97 58.28 2goo s LYS 76 Cb -0.26 -1.88 0.14 0.00 -0.52 0.00 0.00 37.83 35.31 2goo s LYS 76 CO 0.44 -1.56 0.61 0.00 -0.92 0.00 0.00 175.35 173.93 2goo n ALA 77 N -2.36 -2.72 -2.37 5.17 0.00 -1.26 -5.02 120.51 111.95 2goo n ALA 77 Ca 0.13 -0.93 -0.30 0.00 0.00 0.00 0.00 53.44 52.34 2goo n ALA 77 Cb 0.50 -1.86 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 2goo n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2goo s VAL 80 N 3.17 0.15 0.18 0.00 -7.23 -0.09 -4.56 120.40 112.02 2goo s VAL 80 Ca 0.34 -1.81 -0.31 0.00 -1.81 0.00 0.00 61.98 58.38 2goo s VAL 80 Cb -0.13 -1.81 -0.10 0.00 0.56 0.00 0.00 36.38 34.90 2goo s VAL 80 CO 0.16 -0.66 1.52 -2.84 -0.31 0.00 0.00 175.10 172.97 2goo s PRO 81 N -3.99 4.24 0.00 4.82 0.02 -1.26 -0.67 135.00 138.16 2goo s PRO 81 Ca 0.17 2.32 0.08 0.00 0.02 0.00 0.00 61.00 63.58 2goo s PRO 81 Cb 0.07 -3.15 -0.08 0.00 0.02 0.00 0.00 34.50 31.36 2goo s PRO 81 CO -0.03 -0.55 0.35 0.25 -0.33 0.00 0.00 177.00 176.69 2goo n THR 82 N 3.60 0.00 -3.74 0.99 -2.24 0.23 -4.85 114.28 108.28 2goo n THR 82 Ca 0.12 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 2goo n THR 82 Cb 0.39 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.50 2goo n THR 82 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2goo s GLU 83 N -1.70 0.17 0.11 -0.78 2.12 -1.16 -4.95 118.70 112.51 2goo s GLU 83 Ca 0.03 0.48 0.03 0.00 0.36 0.00 0.00 54.97 55.87 2goo s GLU 83 Cb 0.06 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 2goo s GLU 83 CO 0.31 -0.16 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.28 2goo s LEU 84 N 1.20 2.47 0.31 2.70 1.02 -1.26 -0.37 118.68 124.74 2goo s LEU 84 Ca -0.09 -0.92 0.04 0.00 0.02 0.00 0.00 54.13 53.18 2goo s LEU 84 Cb -0.10 -0.22 -0.06 0.00 0.02 0.00 0.00 46.19 45.83 2goo s LEU 84 CO -0.08 -0.35 0.02 -0.94 0.02 0.00 0.00 176.35 175.03 2goo s SER 85 N -2.80 2.44 0.29 2.29 1.04 0.13 -4.75 113.70 112.33 2goo s SER 85 Ca 0.10 -1.32 0.04 0.00 0.48 0.00 0.00 55.95 55.25 2goo s SER 85 Cb 0.01 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 2goo s SER 85 CO -0.02 -0.53 0.43 0.00 0.98 0.00 0.00 173.24 174.10 2goo s ALA 86 N -3.23 3.95 0.04 5.32 0.00 -1.26 -0.90 121.76 125.69 2goo s ALA 86 Ca 0.34 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2goo s ALA 86 Cb 0.07 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 2goo s ALA 86 CO 0.14 0.11 -0.08 0.96 0.00 0.00 0.00 175.76 176.89 2goo s ILE 87 N -2.10 0.54 0.17 0.00 -4.36 -0.47 -4.92 121.20 110.06 2goo s ILE 87 Ca 0.38 -1.13 -0.27 0.00 -0.26 0.00 0.00 60.65 59.37 2goo s ILE 87 Cb -0.09 -0.67 -0.08 0.00 1.25 0.00 0.00 42.46 42.87 2goo s ILE 87 CO 0.31 -0.41 0.85 -0.44 0.24 0.00 0.00 174.94 175.49 2goo s SER 88 N -1.66 7.47 0.02 4.36 0.01 -1.26 0.41 113.70 123.05 2goo s SER 88 Ca -0.09 1.74 0.01 0.00 1.31 0.00 0.00 55.95 58.93 2goo s SER 88 Cb -0.09 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 2goo s SER 88 CO 0.00 0.13 -0.05 -0.04 0.41 0.00 0.00 173.24 173.70 2goo s MET 89 N -0.87 0.37 -0.13 12.44 -1.94 0.35 -4.36 119.30 125.16 2goo s MET 89 Ca 0.39 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 53.94 2goo s MET 89 Cb -0.24 -0.19 0.01 0.00 2.01 0.00 0.00 34.83 36.42 2goo s MET 89 CO 0.28 0.04 -0.22 -1.17 -0.01 0.00 0.00 175.02 173.94 2goo s LEU 90 N -0.92 2.16 0.18 -0.03 2.96 0.59 -1.35 118.68 122.27 2goo s LEU 90 Ca -0.06 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 2goo s LEU 90 Cb -0.06 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2goo s LEU 90 CO -0.00 0.10 0.21 -0.72 -1.32 0.00 0.00 176.35 174.62 2goo s TYR 91 N 0.69 0.70 -0.22 5.38 1.13 -0.57 -0.67 117.35 123.79 2goo s TYR 91 Ca -0.10 -1.03 -0.08 0.00 -1.41 0.00 0.00 57.07 54.45 2goo s TYR 91 Cb -0.16 -0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.40 2goo s TYR 91 CO 0.01 -0.69 0.09 -0.51 -2.51 0.00 0.00 175.55 171.95 2goo s LEU 92 N -3.04 3.75 0.00 -3.49 1.43 0.31 0.18 118.68 117.82 2goo s LEU 92 Ca 0.25 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.25 2goo s LEU 92 Cb 0.05 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.39 2goo s LEU 92 CO 0.05 0.06 0.57 -0.90 0.23 0.00 0.00 176.35 176.36 2goo n ASP 93 N 4.28 -0.18 0.34 2.29 5.68 0.07 -4.84 116.55 124.19 2goo n ASP 93 Ca -0.16 -1.15 0.20 0.00 -0.50 0.00 0.00 54.79 53.18 2goo n ASP 93 Cb 0.52 -0.45 1.08 0.00 -1.14 0.00 0.00 41.12 41.13 2goo n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2goo h GLU 94 N 0.00 0.00 -0.32 0.11 4.81 -1.99 -0.79 114.58 116.39 2goo h GLU 94 Ca -0.19 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2goo h GLU 94 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2goo h GLU 94 CO 0.13 0.00 0.01 0.09 -0.73 0.00 0.00 179.01 178.51 2goo n ASN 95 N -3.01 4.09 -2.04 1.04 3.02 -1.26 -4.96 115.26 112.14 2goo n ASN 95 Ca -0.03 -3.06 -0.19 0.00 -0.03 0.00 0.00 54.58 51.28 2goo n ASN 95 Cb 0.18 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 38.73 2goo n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2goo n GLU 96 N -0.39 -1.65 -3.55 3.52 1.02 -0.30 -5.00 120.64 114.29 2goo n GLU 96 Ca 0.24 0.99 -0.38 0.00 -0.02 0.00 0.00 57.16 57.99 2goo n GLU 96 Cb 0.96 -5.52 -0.06 0.00 -0.02 0.00 0.00 31.44 26.80 2goo n GLU 96 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2goo s LYS 97 N -4.43 3.87 0.20 3.49 1.02 -1.26 -4.81 119.74 117.83 2goo s LYS 97 Ca 0.00 0.34 -0.30 0.00 0.02 0.00 0.00 55.97 56.03 2goo s LYS 97 Cb 0.00 -3.23 -0.08 0.00 -0.52 0.00 0.00 37.83 34.00 2goo s LYS 97 CO 0.00 0.68 1.06 0.14 -0.92 0.00 0.00 175.35 176.31 2goo s VAL 98 N -1.01 3.89 -0.06 3.17 -7.23 -1.26 -0.75 120.40 117.16 2goo s VAL 98 Ca 0.22 1.72 0.04 0.00 -1.81 0.00 0.00 61.98 62.15 2goo s VAL 98 Cb -0.16 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.68 2goo s VAL 98 CO 0.12 0.34 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.39 2goo s VAL 99 N -0.58 1.41 -0.19 1.32 1.01 0.13 -4.94 120.40 118.55 2goo s VAL 99 Ca 0.46 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 2goo s VAL 99 Cb -0.29 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2goo s VAL 99 CO 0.35 0.41 0.10 -0.22 0.00 0.00 0.00 175.10 175.74 2goo s LEU 100 N 0.30 4.04 -0.09 3.92 2.96 -1.26 -1.51 118.68 127.05 2goo s LEU 100 Ca -0.10 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 2goo s LEU 100 Cb -0.14 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.55 2goo s LEU 100 CO 0.04 0.18 0.22 -0.75 -1.32 0.00 0.00 176.35 174.72 2goo s LYS 101 N 0.32 0.22 -0.38 1.98 2.20 -0.45 -5.02 119.74 118.61 2goo s LYS 101 Ca 0.06 0.37 -0.21 0.00 -0.36 0.00 0.00 55.97 55.83 2goo s LYS 101 Cb -0.12 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.23 2goo s LYS 101 CO -0.01 -0.08 0.69 -0.80 -0.36 0.00 0.00 175.35 174.79 2goo s ASN 102 N 0.57 6.45 -0.22 1.43 0.02 -1.26 -0.49 114.94 121.43 2goo s ASN 102 Ca -0.04 0.13 -0.22 0.00 -1.02 0.00 0.00 52.86 51.72 2goo s ASN 102 Cb -0.05 -2.35 -0.02 0.00 0.02 0.00 0.00 41.25 38.85 2goo s ASN 102 CO -0.03 -0.68 0.68 -0.31 0.02 0.00 0.00 177.10 176.77 2goo s TYR 103 N 2.89 3.34 0.55 2.20 1.51 0.17 -4.90 117.35 123.10 2goo s TYR 103 Ca 0.27 0.95 -0.16 0.00 -1.01 0.00 0.00 57.07 57.12 2goo s TYR 103 Cb -0.14 -2.87 -0.06 0.00 -0.11 0.00 0.00 41.96 38.78 2goo s TYR 103 CO 0.17 -0.27 1.01 -0.65 -1.11 0.00 0.00 175.55 174.70 2goo s GLN 104 N 2.29 3.71 -1.26 -0.62 -1.52 -1.26 -1.37 119.66 119.62 2goo s GLN 104 Ca 0.30 1.00 -0.06 0.00 -1.95 0.00 0.00 55.36 54.65 2goo s GLN 104 Cb -0.16 -2.10 0.01 0.00 -0.22 0.00 0.00 33.01 30.54 2goo s GLN 104 CO 0.09 -0.48 1.09 -0.25 -0.25 0.00 0.00 175.29 175.49 2goo n ASP 105 N -1.87 -4.89 -0.07 5.90 10.43 -1.23 -4.91 116.55 119.90 2goo n ASP 105 Ca 0.07 -0.54 -0.05 0.00 2.57 0.00 0.00 54.79 56.83 2goo n ASP 105 Cb 0.54 -4.90 -0.16 0.00 1.84 0.00 0.00 41.12 38.44 2goo n ASP 105 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 2goo n MET 106 N -4.58 0.68 -4.39 -1.24 2.81 -0.07 -4.89 117.12 105.43 2goo n MET 106 Ca -0.08 -0.02 -0.29 0.00 -1.81 0.00 0.00 57.70 55.49 2goo n MET 106 Cb 0.59 -1.54 -0.17 0.00 -0.71 0.00 0.00 33.22 31.39 2goo n MET 106 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2goo s VAL 107 N -2.71 1.60 -0.16 2.03 1.01 -0.56 -4.72 120.40 116.89 2goo s VAL 107 Ca -0.09 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 2goo s VAL 107 Cb 0.08 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2goo s VAL 107 CO 0.84 0.46 1.73 -0.69 0.00 0.00 0.00 175.10 177.44 2goo s VAL 108 N 1.07 3.53 -0.15 2.92 1.01 -0.66 -0.70 120.40 127.42 2goo s VAL 108 Ca -0.04 0.61 0.17 0.00 0.00 0.00 0.00 61.98 62.71 2goo s VAL 108 Cb -0.15 -3.51 -0.24 0.00 0.00 0.00 0.00 36.38 32.48 2goo s VAL 108 CO -0.04 -0.19 0.26 -0.62 0.00 0.00 0.00 175.10 174.52 2goo n GLU 109 N 7.68 0.67 -3.75 2.72 -0.58 0.50 -4.88 120.64 123.00 2goo n GLU 109 Ca 0.20 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 2goo n GLU 109 Cb 0.44 -1.60 -0.09 0.00 -0.57 0.00 0.00 31.44 29.63 2goo n GLU 109 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2goo s GLY 110 N -5.32 -0.19 0.16 0.62 0.00 -0.97 -4.95 107.32 96.67 2goo s GLY 110 Ca -0.08 0.45 0.08 0.00 0.00 0.00 0.00 44.72 45.17 2goo s GLY 110 CO 0.83 0.25 -0.09 0.00 0.00 0.00 0.00 173.10 174.09 2goo s GLY 112 N -2.64 0.54 -0.18 0.00 0.00 0.16 -4.59 107.32 100.61 2goo s GLY 112 Ca 0.24 -0.86 -0.06 0.00 0.00 0.00 0.00 44.72 44.04 2goo s GLY 112 CO 0.15 -0.42 0.03 0.00 0.00 0.00 0.00 173.10 172.86