#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpq s SER 3 N 0.00 6.59 -0.03 2.55 0.15 -1.26 -4.90 113.70 116.80 3gpq s SER 3 Ca 0.00 1.50 0.04 0.00 0.70 0.00 0.00 55.95 58.19 3gpq s SER 3 Cb 0.00 -2.48 -0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3gpq s SER 3 CO 0.00 -0.57 -0.13 -0.31 1.20 0.00 0.00 173.24 173.43 3gpq s TYR 4 N -2.61 1.33 0.09 3.44 1.51 -1.25 -0.65 117.35 119.21 3gpq s TYR 4 Ca 0.58 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 56.32 3gpq s TYR 4 Cb -0.10 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 3gpq s TYR 4 CO 0.32 -0.11 -0.06 1.03 -1.11 0.00 0.00 175.55 175.62 3gpq s ARG 5 N 0.01 0.81 -0.04 -0.62 0.52 0.21 -4.96 118.95 114.87 3gpq s ARG 5 Ca -0.01 -1.31 0.03 0.00 -0.52 0.00 0.00 55.73 53.92 3gpq s ARG 5 Cb -0.09 -0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.20 3gpq s ARG 5 CO 0.01 -0.02 -0.11 0.54 0.02 0.00 0.00 175.30 175.74 3gpq s VAL 6 N -3.56 0.99 0.06 3.52 0.11 -1.26 0.71 120.40 120.97 3gpq s VAL 6 Ca 0.11 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.79 3gpq s VAL 6 Cb 0.05 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 3gpq s VAL 6 CO -0.05 0.31 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.28 3gpq s LYS 7 N 0.35 1.31 -0.97 1.54 1.02 -0.41 -4.92 119.74 117.66 3gpq s LYS 7 Ca -0.07 -0.99 -0.05 0.00 0.02 0.00 0.00 55.97 54.87 3gpq s LYS 7 Cb -0.12 -1.46 0.24 0.00 -0.52 0.00 0.00 37.83 35.97 3gpq s LYS 7 CO 0.02 0.37 0.90 0.50 -0.92 0.00 0.00 175.35 176.22 3gpq s ARG 8 N -1.36 3.65 0.21 1.68 3.52 -1.26 -1.47 118.95 123.93 3gpq s ARG 8 Ca 0.07 -3.18 -0.22 0.00 -0.13 0.00 0.00 55.73 52.26 3gpq s ARG 8 Cb -0.09 -4.22 0.05 0.00 -1.56 0.00 0.00 34.95 29.12 3gpq s ARG 8 CO 0.02 -1.25 0.70 0.00 -0.81 0.00 0.00 175.30 173.96 3gpq s MET 9 N -1.19 1.50 0.11 5.12 0.23 0.08 -4.87 119.30 120.28 3gpq s MET 9 Ca 0.28 -0.73 -0.32 0.00 -1.03 0.00 0.00 55.69 53.89 3gpq s MET 9 Cb -0.09 0.58 -0.11 0.00 -1.53 0.00 0.00 34.83 33.68 3gpq s MET 9 CO -0.10 -0.68 1.82 -3.47 -2.03 0.00 0.00 175.02 170.57 3gpq n ASP 10 N -0.42 3.94 0.23 -1.18 -0.08 -1.26 -4.41 116.55 113.37 3gpq n ASP 10 Ca -0.09 0.99 0.10 0.00 -1.51 0.00 0.00 54.79 54.27 3gpq n ASP 10 Cb 0.62 -1.53 0.55 0.00 2.34 0.00 0.00 41.12 43.10 3gpq n ASP 10 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3gpq h ILE 11 N 4.64 0.71 0.00 5.18 2.10 -1.96 -1.49 117.51 126.68 3gpq h ILE 11 Ca -0.46 -0.92 0.00 0.00 1.08 0.00 0.00 64.86 64.55 3gpq h ILE 11 Cb 1.23 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 38.54 3gpq h ILE 11 CO 0.94 0.21 0.00 0.00 -1.08 0.00 0.00 178.15 178.23 3gpq h ALA 12 N 1.78 1.00 -0.45 0.18 0.00 -1.89 0.13 119.26 120.01 3gpq h ALA 12 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gpq h ALA 12 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gpq h ALA 12 CO 0.03 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.91 3gpq n LYS 13 N -2.31 3.47 -0.90 0.00 5.02 -0.56 -5.01 118.16 117.86 3gpq n LYS 13 Ca -0.00 -2.75 -0.33 0.00 -2.02 0.00 0.00 58.31 53.21 3gpq n LYS 13 Cb 0.10 -1.81 0.13 0.00 -0.02 0.00 0.00 35.03 33.44 3gpq n LYS 13 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3gpq n ASN 14 N 0.41 -0.52 -0.63 4.39 0.23 0.47 -4.97 115.26 114.64 3gpq n ASN 14 Ca 0.22 0.45 0.06 0.00 -0.53 0.00 0.00 54.58 54.78 3gpq n ASN 14 Cb 0.84 -1.36 0.19 0.00 -2.08 0.00 0.00 39.78 37.38 3gpq n ASN 14 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3gpq n ASP 15 N -2.49 1.69 -4.85 0.53 2.03 -1.26 -5.04 116.55 107.16 3gpq n ASP 15 Ca 0.10 -3.73 -0.25 0.00 0.52 0.00 0.00 54.79 51.43 3gpq n ASP 15 Cb 0.52 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 3gpq n ASP 15 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3gpq s GLU 16 N -2.99 2.32 0.00 -0.67 8.01 -1.26 -5.04 118.70 119.06 3gpq s GLU 16 Ca 0.37 -1.86 0.31 0.00 0.01 0.00 0.00 54.97 53.80 3gpq s GLU 16 Cb 0.37 -2.12 1.73 0.00 -4.31 0.00 0.00 34.13 29.80 3gpq s GLU 16 CO -0.07 -0.37 2.13 0.39 0.01 0.00 0.00 175.26 177.35 3gpq n GLU 17 N -1.56 0.79 -3.57 1.61 1.02 -1.23 -4.86 120.64 112.85 3gpq n GLU 17 Ca -0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 3gpq n GLU 17 Cb 0.64 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 3gpq n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gpq s VAL 19 N -2.82 1.36 -0.28 0.00 0.11 -0.73 -1.45 120.40 116.60 3gpq s VAL 19 Ca 0.08 -0.91 -0.12 0.00 -2.93 0.00 0.00 61.98 58.09 3gpq s VAL 19 Cb -0.01 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 3gpq s VAL 19 CO -0.06 0.24 0.26 -0.69 -3.33 0.00 0.00 175.10 171.52 3gpq s VAL 20 N -0.61 5.26 0.14 2.04 1.01 -0.52 0.11 120.40 127.83 3gpq s VAL 20 Ca 0.06 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3gpq s VAL 20 Cb -0.07 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3gpq s VAL 20 CO 0.00 0.19 1.16 0.21 0.00 0.00 0.00 175.10 176.66 3gpq s ASN 21 N 1.72 7.15 -1.26 3.32 2.47 0.11 -4.31 114.94 124.15 3gpq s ASN 21 Ca 0.09 2.11 -0.16 0.00 0.42 0.00 0.00 52.86 55.32 3gpq s ASN 21 Cb -0.16 -2.60 0.11 0.00 -1.45 0.00 0.00 41.25 37.15 3gpq s ASN 21 CO 0.11 -0.34 1.61 0.00 -3.72 0.00 0.00 177.10 174.75 3gpq s ALA 22 N 0.22 3.59 0.66 1.71 0.00 -1.26 -1.84 121.76 124.84 3gpq s ALA 22 Ca 0.53 -3.09 0.01 0.00 0.00 0.00 0.00 51.96 49.41 3gpq s ALA 22 Cb -0.30 -4.43 0.12 0.00 0.00 0.00 0.00 23.12 18.50 3gpq s ALA 22 CO 0.34 -3.09 0.84 0.00 0.00 0.00 0.00 175.76 173.85 3gpq n ALA 23 N 7.27 0.32 -2.43 0.00 0.00 -0.70 -4.21 120.51 120.76 3gpq n ALA 23 Ca 0.44 -1.72 -0.23 0.00 0.00 0.00 0.00 53.44 51.93 3gpq n ALA 23 Cb 0.45 0.31 -0.11 0.00 0.00 0.00 0.00 19.45 20.10 3gpq n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gpq s ASN 24 N -4.46 2.97 0.00 0.00 2.20 -1.26 -4.44 114.94 109.96 3gpq s ASN 24 Ca 0.57 -0.92 0.21 0.00 -0.94 0.00 0.00 52.86 51.77 3gpq s ASN 24 Cb -0.03 -0.20 1.16 0.00 -2.00 0.00 0.00 41.25 40.18 3gpq s ASN 24 CO 0.37 -0.01 1.64 -0.81 -2.94 0.00 0.00 177.10 175.35 3gpq n PRO 25 N -0.00 0.50 -0.25 3.55 -0.04 -1.26 -0.43 135.00 137.08 3gpq n PRO 25 Ca -0.11 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 3gpq n PRO 25 Cb 0.58 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.81 3gpq n PRO 25 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3gpq n ARG 26 N -1.12 2.43 -4.21 0.54 0.63 -1.26 -3.62 116.66 110.05 3gpq n ARG 26 Ca 0.13 -2.20 -0.36 0.00 -0.92 0.00 0.00 57.85 54.51 3gpq n ARG 26 Cb 0.11 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.49 3gpq n ARG 26 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gpq n GLY 27 N 1.49 -0.43 3.93 5.14 0.00 0.43 -4.66 105.19 111.09 3gpq n GLY 27 Ca 0.20 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 3gpq n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpq s LEU 28 N -7.25 4.32 0.24 0.99 1.43 -1.26 -4.66 118.68 112.50 3gpq s LEU 28 Ca 0.68 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 54.03 3gpq s LEU 28 Cb -0.37 -2.99 0.53 0.00 0.03 0.00 0.00 46.19 43.39 3gpq s LEU 28 CO 0.93 0.07 1.28 -2.65 0.23 0.00 0.00 176.35 176.21 3gpq n PRO 29 N -0.27 -0.07 0.00 1.29 -0.02 -1.26 -4.74 135.00 129.93 3gpq n PRO 29 Ca -0.06 1.24 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 3gpq n PRO 29 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3gpq n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gpq n GLY 30 N -1.45 0.08 0.00 -1.23 0.00 -1.26 -3.02 105.19 98.31 3gpq n GLY 30 Ca 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3gpq n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gpq n ASP 31 N -1.88 0.20 0.00 1.61 4.64 -1.26 -4.35 116.55 115.51 3gpq n ASP 31 Ca 0.00 -0.75 0.00 0.00 -1.38 0.00 0.00 54.79 52.66 3gpq n ASP 31 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3gpq n ASP 31 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3gpq n GLY 32 N 0.50 3.26 0.08 0.27 0.00 -1.26 -2.44 105.19 105.60 3gpq n GLY 32 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 3gpq n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gpq h VAL 33 N 0.00 0.89 -0.77 1.61 2.07 -1.98 -2.72 116.25 115.35 3gpq h VAL 33 Ca 0.00 -0.01 0.17 0.00 0.82 0.00 0.00 66.70 67.68 3gpq h VAL 33 Cb 0.00 0.86 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 3gpq h VAL 33 CO 0.00 0.01 0.24 0.00 0.02 0.00 0.00 177.57 177.83 3gpq h LYS 35 N 0.32 -0.66 -0.76 0.00 3.64 -1.25 0.20 116.57 118.05 3gpq h LYS 35 Ca 0.44 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 60.00 3gpq h LYS 35 Cb 0.77 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.65 3gpq h LYS 35 CO -0.50 -0.44 0.36 0.00 -2.27 0.00 0.00 179.45 176.60 3gpq h ALA 36 N -0.38 1.09 -0.22 5.00 0.00 -1.15 -1.39 119.26 122.21 3gpq h ALA 36 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gpq h ALA 36 Cb 0.72 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3gpq h ALA 36 CO -0.34 -0.12 0.04 0.28 0.00 0.00 0.00 179.25 179.12 3gpq h VAL 37 N 0.55 1.22 -0.75 0.00 2.07 -0.67 -2.37 116.25 116.30 3gpq h VAL 37 Ca 0.40 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3gpq h VAL 37 Cb 0.54 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3gpq h VAL 37 CO -0.35 0.23 0.44 0.22 0.02 0.00 0.00 177.57 178.13 3gpq h TYR 38 N 0.17 1.00 -0.68 1.57 3.20 -0.04 0.16 116.97 122.35 3gpq h TYR 38 Ca 0.07 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3gpq h TYR 38 Cb 0.30 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3gpq h TYR 38 CO 0.02 0.68 0.29 0.87 -1.64 0.00 0.00 178.16 178.38 3gpq h LYS 39 N 1.03 0.98 0.11 1.82 1.57 -1.20 -2.31 116.57 118.55 3gpq h LYS 39 Ca 0.27 -0.15 -0.33 0.00 -1.87 0.00 0.00 60.65 58.57 3gpq h LYS 39 Cb -0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3gpq h LYS 39 CO -0.05 0.78 -1.78 -0.22 -0.57 0.00 0.00 179.45 177.61 3gpq h LYS 40 N 0.97 0.23 -2.07 3.15 1.63 -1.12 -3.40 116.57 115.95 3gpq h LYS 40 Ca 0.23 -0.39 -0.53 0.00 -0.85 0.00 0.00 60.65 59.12 3gpq h LYS 40 Cb 0.15 0.14 -0.41 0.00 -0.60 0.00 0.00 32.23 31.51 3gpq h LYS 40 CO -0.02 1.06 -0.92 0.91 -3.45 0.00 0.00 179.45 177.02 3gpq n TRP 41 N -3.40 2.14 -0.37 1.91 8.01 0.53 -4.95 117.44 121.31 3gpq n TRP 41 Ca -0.24 -3.82 -0.01 0.00 -1.31 0.00 0.00 57.50 52.12 3gpq n TRP 41 Cb 1.05 -0.43 0.13 0.00 -2.01 0.00 0.00 31.31 30.05 3gpq n TRP 41 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3gpq h PRO 42 N 2.97 1.25 -0.10 -0.99 0.13 -1.58 -0.55 132.00 133.12 3gpq h PRO 42 Ca 0.11 -0.08 0.03 0.00 -0.87 0.00 0.00 66.00 65.20 3gpq h PRO 42 Cb 0.76 -0.28 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 3gpq h PRO 42 CO 0.66 0.83 0.23 0.93 -0.23 0.00 0.00 178.00 180.42 3gpq h GLU 43 N 1.28 0.00 0.00 0.86 3.07 -1.93 0.11 114.58 117.98 3gpq h GLU 43 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3gpq h GLU 43 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3gpq h GLU 43 CO -0.11 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.37 3gpq n SER 44 N -3.31 0.00 -1.43 1.42 3.41 -0.21 -2.68 113.62 110.81 3gpq n SER 44 Ca -0.00 0.12 0.07 0.00 -0.26 0.00 0.00 58.87 58.79 3gpq n SER 44 Cb 0.32 -0.33 0.30 0.00 -0.26 0.00 0.00 64.21 64.24 3gpq n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3gpq n PHE 45 N -1.33 1.37 -2.83 7.33 3.72 0.40 -4.62 117.46 121.49 3gpq n PHE 45 Ca 0.08 -0.51 -0.42 0.00 -0.05 0.00 0.00 57.45 56.55 3gpq n PHE 45 Cb 0.17 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.37 3gpq n PHE 45 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3gpq s LYS 46 N -2.03 4.01 -1.51 -1.08 2.20 -1.09 -3.72 119.74 116.51 3gpq s LYS 46 Ca 0.41 0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 56.78 3gpq s LYS 46 Cb 0.29 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 3gpq s LYS 46 CO 0.16 -0.75 0.09 0.09 -0.36 0.00 0.00 175.35 174.59 3gpq n ASN 47 N 6.41 0.54 0.02 1.43 3.02 -1.26 -4.87 115.26 120.56 3gpq n ASN 47 Ca 0.07 -1.25 0.14 0.00 -0.03 0.00 0.00 54.58 53.51 3gpq n ASN 47 Cb 0.48 -1.78 0.53 0.00 -0.61 0.00 0.00 39.78 38.39 3gpq n ASN 47 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3gpq n SER 48 N -2.87 0.23 -4.66 6.41 2.88 -1.24 -4.87 113.62 109.50 3gpq n SER 48 Ca -0.32 0.43 -0.43 0.00 -1.33 0.00 0.00 58.87 57.23 3gpq n SER 48 Cb 0.69 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 63.65 3gpq n SER 48 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gpq n ALA 49 N -1.57 1.54 -2.96 -1.46 0.00 -1.26 -4.54 120.51 110.26 3gpq n ALA 49 Ca 0.06 0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 3gpq n ALA 49 Cb 0.36 -2.68 -0.12 0.00 0.00 0.00 0.00 19.45 17.01 3gpq n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gpq s THR 50 N 4.63 0.07 0.65 0.00 -1.32 -1.24 -4.93 115.64 113.51 3gpq s THR 50 Ca 0.90 -0.58 -0.15 0.00 -1.21 0.00 0.00 61.69 60.64 3gpq s THR 50 Cb -0.45 -0.19 -0.01 0.00 -1.51 0.00 0.00 72.50 70.34 3gpq s THR 50 CO 0.43 -0.32 1.11 -2.84 -2.21 0.00 0.00 174.62 170.79 3gpq s PRO 51 N -0.95 2.85 0.56 7.08 0.02 -1.26 -4.22 135.00 139.07 3gpq s PRO 51 Ca -0.10 1.41 -0.19 0.00 0.02 0.00 0.00 61.00 62.13 3gpq s PRO 51 Cb -0.06 -1.96 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 3gpq s PRO 51 CO -0.00 -1.22 0.81 0.28 -0.33 0.00 0.00 177.00 176.53 3gpq n VAL 52 N -2.33 2.97 -0.62 3.83 0.31 -1.26 -2.34 118.33 118.90 3gpq n VAL 52 Ca 0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 3gpq n VAL 52 Cb 0.52 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 3gpq n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gpq n GLY 53 N 1.46 0.79 3.53 2.92 0.00 -0.81 -5.00 105.19 108.09 3gpq n GLY 53 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3gpq n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gpq s THR 54 N -3.06 0.90 -0.01 2.61 -4.23 -0.99 -1.74 115.64 109.12 3gpq s THR 54 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3gpq s THR 54 Cb 0.00 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.37 3gpq s THR 54 CO 0.00 0.00 -0.01 0.00 -0.54 0.00 0.00 174.62 174.07 3gpq s ALA 55 N -3.18 0.18 -0.08 3.99 0.00 -1.26 -1.78 121.76 119.63 3gpq s ALA 55 Ca 0.25 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3gpq s ALA 55 Cb 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3gpq s ALA 55 CO 0.13 -0.01 -0.07 0.21 0.00 0.00 0.00 175.76 176.02 3gpq s LYS 56 N 0.38 1.33 -0.23 0.00 2.20 -0.23 -4.94 119.74 118.26 3gpq s LYS 56 Ca -0.03 -0.22 -0.15 0.00 -0.36 0.00 0.00 55.97 55.21 3gpq s LYS 56 Cb -0.06 -1.34 -0.04 0.00 -1.51 0.00 0.00 37.83 34.88 3gpq s LYS 56 CO -0.01 -0.17 0.37 0.99 -0.36 0.00 0.00 175.35 176.17 3gpq s THR 57 N 1.36 5.21 -0.06 3.43 2.01 -1.26 -0.51 115.64 125.82 3gpq s THR 57 Ca -0.02 0.61 0.05 0.00 0.31 0.00 0.00 61.69 62.64 3gpq s THR 57 Cb -0.14 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3gpq s THR 57 CO -0.04 0.23 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.23 3gpq s VAL 58 N 1.51 1.76 0.17 3.82 1.01 -0.15 -4.96 120.40 123.57 3gpq s VAL 58 Ca 0.17 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 3gpq s VAL 58 Cb -0.15 -1.50 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 3gpq s VAL 58 CO 0.08 0.49 0.98 -0.04 0.00 0.00 0.00 175.10 176.61 3gpq s MET 59 N 0.01 4.74 -0.42 2.72 -1.94 -1.26 -0.74 119.30 122.41 3gpq s MET 59 Ca -0.06 1.52 -0.07 0.00 -1.71 0.00 0.00 55.69 55.36 3gpq s MET 59 Cb -0.13 -3.32 0.09 0.00 2.01 0.00 0.00 34.83 33.48 3gpq s MET 59 CO 0.04 0.31 0.25 0.00 -0.01 0.00 0.00 175.02 175.61 3gpq n GLY 61 N 4.83 2.06 0.71 0.00 0.00 -1.26 -0.19 105.19 111.34 3gpq n GLY 61 Ca -0.08 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3gpq n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpq n THR 62 N 0.00 0.75 -3.11 2.61 -2.24 -1.26 -4.99 114.28 106.04 3gpq n THR 62 Ca 0.00 -0.87 -0.41 0.00 -2.27 0.00 0.00 64.05 60.49 3gpq n THR 62 Cb 0.00 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 3gpq n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gpq s TYR 63 N -1.03 3.20 -0.17 4.78 5.04 0.73 -4.99 117.35 124.92 3gpq s TYR 63 Ca 0.25 0.53 -0.28 0.00 -2.44 0.00 0.00 57.07 55.13 3gpq s TYR 63 Cb 0.14 -3.04 -0.01 0.00 0.35 0.00 0.00 41.96 39.40 3gpq s TYR 63 CO 0.18 -0.52 0.96 -2.14 -1.34 0.00 0.00 175.55 172.70 3gpq s PRO 64 N 2.65 4.33 -0.33 4.97 0.02 -1.26 0.23 135.00 145.60 3gpq s PRO 64 Ca 0.25 1.26 -0.11 0.00 0.02 0.00 0.00 61.00 62.42 3gpq s PRO 64 Cb -0.15 -3.58 -0.00 0.00 0.02 0.00 0.00 34.50 30.78 3gpq s PRO 64 CO 0.13 -0.42 0.20 0.08 -0.33 0.00 0.00 177.00 176.66 3gpq s VAL 65 N 2.43 4.88 -0.62 3.83 1.01 0.08 -1.77 120.40 130.24 3gpq s VAL 65 Ca 0.44 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 3gpq s VAL 65 Cb -0.17 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.77 3gpq s VAL 65 CO 0.12 -0.02 0.82 -0.63 0.00 0.00 0.00 175.10 175.39 3gpq s ILE 66 N 1.65 4.60 -0.66 2.22 1.01 0.30 -0.97 121.20 129.34 3gpq s ILE 66 Ca 0.05 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 3gpq s ILE 66 Cb -0.18 -4.57 0.04 0.00 0.01 0.00 0.00 42.46 37.76 3gpq s ILE 66 CO 0.08 -1.27 1.17 -1.00 0.00 0.00 0.00 174.94 173.93 3gpq s HIS 67 N 3.30 2.49 -0.22 3.97 3.76 0.33 0.07 115.29 128.99 3gpq s HIS 67 Ca 0.16 0.03 -0.07 0.00 -0.15 0.00 0.00 55.06 55.03 3gpq s HIS 67 Cb -0.21 -4.49 -0.04 0.00 1.11 0.00 0.00 32.58 28.96 3gpq s HIS 67 CO 0.08 -1.79 0.07 0.00 -0.85 0.00 0.00 174.74 172.25 3gpq s ALA 68 N 5.08 3.29 -0.68 -1.40 0.00 -0.77 -1.07 121.76 126.22 3gpq s ALA 68 Ca 0.35 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 3gpq s ALA 68 Cb -0.09 -2.01 0.10 0.00 0.00 0.00 0.00 23.12 21.12 3gpq s ALA 68 CO 0.18 -0.15 0.85 0.08 0.00 0.00 0.00 175.76 176.73 3gpq s VAL 69 N 0.99 4.69 0.72 0.00 1.01 -0.73 -1.72 120.40 125.35 3gpq s VAL 69 Ca 0.04 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3gpq s VAL 69 Cb -0.14 -4.60 0.02 0.00 0.00 0.00 0.00 36.38 31.67 3gpq s VAL 69 CO 0.03 -1.29 1.08 -0.83 0.00 0.00 0.00 175.10 174.09 3gpq s GLY 70 N 3.58 1.64 0.45 4.51 0.00 -1.26 -1.91 107.32 114.32 3gpq s GLY 70 Ca 0.18 -0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.55 3gpq s GLY 70 CO 0.04 0.22 1.00 2.56 0.00 0.00 0.00 173.10 176.92 3gpq s PRO 71 N -5.18 4.05 -0.42 2.90 0.04 -1.26 -4.81 135.00 130.32 3gpq s PRO 71 Ca 0.59 1.27 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 3gpq s PRO 71 Cb -0.13 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.23 3gpq s PRO 71 CO 0.54 -0.21 0.68 1.21 0.04 0.00 0.00 177.00 179.27 3gpq s ASN 72 N -2.01 6.38 0.00 6.66 2.47 -1.26 -4.50 114.94 122.68 3gpq s ASN 72 Ca 0.63 -0.12 0.16 0.00 0.42 0.00 0.00 52.86 53.96 3gpq s ASN 72 Cb -0.14 -2.34 0.82 0.00 -1.45 0.00 0.00 41.25 38.14 3gpq s ASN 72 CO 0.18 -0.76 1.48 0.49 -3.72 0.00 0.00 177.10 174.77 3gpq n PHE 73 N 6.33 0.00 0.20 0.43 3.72 0.18 -0.30 117.46 128.03 3gpq n PHE 73 Ca -0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 3gpq n PHE 73 Cb 0.48 -0.31 0.42 0.00 -0.94 0.00 0.00 39.48 39.14 3gpq n PHE 73 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3gpq h SER 74 N 0.00 0.00 -3.64 4.37 0.02 -1.82 -3.42 113.55 109.06 3gpq h SER 74 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 3gpq h SER 74 Cb 0.17 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.59 3gpq h SER 74 CO 0.00 0.33 0.44 0.20 -1.14 0.00 0.00 176.83 176.66 3gpq s ASN 75 N -6.58 6.45 0.44 3.07 0.01 0.59 -5.05 114.94 113.88 3gpq s ASN 75 Ca -0.02 -0.01 -0.26 0.00 -0.71 0.00 0.00 52.86 51.87 3gpq s ASN 75 Cb 0.13 -2.41 -0.09 0.00 0.41 0.00 0.00 41.25 39.29 3gpq s ASN 75 CO 0.68 -0.96 1.43 -1.54 -1.51 0.00 0.00 177.10 175.20 3gpq n SER 77 N 6.88 3.33 0.00 -1.22 3.41 -1.26 -4.96 113.62 119.80 3gpq n SER 77 Ca 0.04 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 3gpq n SER 77 Cb 0.48 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 3gpq n SER 77 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3gpq n GLU 78 N -0.10 0.00 0.00 4.33 4.07 -1.26 -2.72 120.64 124.97 3gpq n GLU 78 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 3gpq n GLU 78 Cb 0.41 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.54 3gpq n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3gpq n GLU 80 N -0.33 0.00 0.09 5.31 2.13 -1.26 -4.06 120.64 122.52 3gpq n GLU 80 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 3gpq n GLU 80 Cb 0.00 -0.35 -0.14 0.00 0.27 0.00 0.00 31.44 31.23 3gpq n GLU 80 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3gpq h GLY 81 N 0.00 0.26 0.55 8.31 0.00 -1.89 -1.85 103.07 108.44 3gpq h GLY 81 Ca 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 47.33 46.73 3gpq h GLY 81 CO 0.00 0.58 0.13 -1.80 0.00 0.00 0.00 176.54 175.45 3gpq h ASP 82 N 0.06 0.10 -0.19 0.19 3.58 -1.81 0.58 116.42 118.94 3gpq h ASP 82 Ca -0.15 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.30 3gpq h ASP 82 Cb 1.96 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 43.05 3gpq h ASP 82 CO 0.18 0.09 -0.06 0.03 -2.88 0.00 0.00 179.24 176.60 3gpq h ARG 83 N 0.28 0.52 -0.03 0.28 3.08 -1.91 -1.07 114.38 115.52 3gpq h ARG 83 Ca 0.21 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.93 3gpq h ARG 83 Cb 0.23 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3gpq h ARG 83 CO -0.24 0.59 -0.85 0.93 -1.07 0.00 0.00 179.97 179.34 3gpq h GLU 84 N 0.49 0.35 0.34 0.04 4.39 -0.85 -1.65 114.58 117.69 3gpq h GLU 84 Ca 0.10 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 3gpq h GLU 84 Cb 0.41 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3gpq h GLU 84 CO 0.02 1.01 -0.16 1.25 -1.16 0.00 0.00 179.01 179.97 3gpq h LEU 85 N 0.21 -0.39 -0.64 1.33 6.46 0.35 -0.05 115.31 122.58 3gpq h LEU 85 Ca -0.05 -0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.81 3gpq h LEU 85 Cb 1.46 0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 41.41 3gpq h LEU 85 CO 0.14 -0.26 0.22 0.00 -0.62 0.00 0.00 178.44 177.93 3gpq h ALA 86 N 0.17 0.83 -0.02 1.25 0.00 -1.27 -1.93 119.26 118.30 3gpq h ALA 86 Ca -0.05 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gpq h ALA 86 Cb 0.37 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gpq h ALA 86 CO 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 179.25 179.11 3gpq h ALA 87 N 1.46 0.02 0.31 0.00 0.00 -1.15 -0.37 119.26 119.53 3gpq h ALA 87 Ca 0.33 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gpq h ALA 87 Cb 0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3gpq h ALA 87 CO -0.35 -0.31 -0.48 0.00 0.00 0.00 0.00 179.25 178.11 3gpq h ALA 88 N 0.69 -1.06 -0.55 0.00 0.00 -0.14 -1.37 119.26 116.83 3gpq h ALA 88 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3gpq h ALA 88 Cb 0.32 0.78 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 3gpq h ALA 88 CO 0.00 -1.13 -0.27 1.88 0.00 0.00 0.00 179.25 179.73 3gpq h TYR 89 N -0.84 -0.71 -0.40 0.00 0.99 -1.36 -1.69 116.97 112.96 3gpq h TYR 89 Ca -0.04 0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.82 3gpq h TYR 89 Cb 0.77 0.40 -0.09 0.00 1.00 0.00 0.00 36.73 38.81 3gpq h TYR 89 CO -0.33 -0.35 -0.46 0.00 -0.00 0.00 0.00 178.16 177.02 3gpq h ARG 90 N -0.13 -0.34 -0.77 4.88 2.47 -0.79 -0.22 114.38 119.48 3gpq h ARG 90 Ca 0.24 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 59.16 3gpq h ARG 90 Cb 0.52 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.87 3gpq h ARG 90 CO -0.63 -0.23 0.52 0.93 0.56 0.00 0.00 179.97 181.12 3gpq h GLU 91 N -0.35 0.32 -0.13 0.04 4.39 -0.72 -0.56 114.58 117.57 3gpq h GLU 91 Ca 0.12 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3gpq h GLU 91 Cb 0.59 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3gpq h GLU 91 CO -0.58 0.21 -0.04 0.28 -1.16 0.00 0.00 179.01 177.73 3gpq h VAL 92 N 0.33 1.30 -0.87 3.13 2.07 -0.19 -0.78 116.25 121.24 3gpq h VAL 92 Ca 0.38 -1.00 0.13 0.00 0.82 0.00 0.00 66.70 67.03 3gpq h VAL 92 Cb 1.01 1.69 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 3gpq h VAL 92 CO -0.11 0.29 0.56 0.00 0.02 0.00 0.00 177.57 178.33 3gpq h ALA 93 N 0.69 1.82 0.16 1.67 0.00 -0.21 0.29 119.26 123.67 3gpq h ALA 93 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gpq h ALA 93 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gpq h ALA 93 CO 0.01 -0.04 -0.08 -0.22 0.00 0.00 0.00 179.25 178.93 3gpq h LYS 94 N 0.70 -0.21 -0.40 0.00 3.64 -1.01 -0.97 116.57 118.32 3gpq h LYS 94 Ca 0.43 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.85 3gpq h LYS 94 Cb 0.65 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 3gpq h LYS 94 CO -0.19 0.08 0.20 0.93 -2.27 0.00 0.00 179.45 178.20 3gpq h GLU 95 N -0.49 0.39 -0.57 1.90 4.39 -0.56 0.27 114.58 119.91 3gpq h GLU 95 Ca -0.02 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.77 3gpq h GLU 95 Cb 0.38 -0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 28.85 3gpq h GLU 95 CO 0.04 0.26 0.02 0.28 -1.16 0.00 0.00 179.01 178.44 3gpq h VAL 96 N 0.40 0.55 0.18 3.13 2.07 -0.36 -1.46 116.25 120.77 3gpq h VAL 96 Ca 0.17 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3gpq h VAL 96 Cb 0.09 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3gpq h VAL 96 CO -0.13 0.02 -0.09 0.74 0.02 0.00 0.00 177.57 178.14 3gpq h THR 97 N 0.13 0.92 -0.61 2.57 2.02 -0.75 -2.31 112.91 114.88 3gpq h THR 97 Ca 0.29 -0.56 0.18 0.00 0.77 0.00 0.00 66.41 67.09 3gpq h THR 97 Cb 0.46 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3gpq h THR 97 CO -0.47 0.13 0.61 -0.09 0.37 0.00 0.00 175.52 176.06 3gpq h ARG 98 N -0.53 0.00 0.00 6.66 2.43 -0.08 -1.71 114.38 121.15 3gpq h ARG 98 Ca -0.03 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.82 3gpq h ARG 98 Cb 0.40 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 3gpq h ARG 98 CO 0.04 0.00 -2.03 1.28 -1.51 0.00 0.00 179.97 177.75 3gpq n LEU 99 N -3.73 0.50 0.00 3.80 4.77 -0.58 -4.97 117.00 116.78 3gpq n LEU 99 Ca 0.12 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3gpq n LEU 99 Cb 0.83 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 42.23 3gpq n LEU 99 CO 0.29 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3gpq n GLY 100 N 1.65 0.75 3.61 -0.72 0.00 -0.65 -5.01 105.19 104.83 3gpq n GLY 100 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 3gpq n GLY 100 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gpq n VAL 101 N -2.13 3.67 0.11 1.61 0.24 -1.23 -4.92 118.33 115.69 3gpq n VAL 101 Ca 0.00 -0.48 0.08 0.00 -2.04 0.00 0.00 64.34 61.90 3gpq n VAL 101 Cb 0.00 -1.14 0.01 0.00 -1.47 0.00 0.00 33.84 31.25 3gpq n VAL 101 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3gpq h ASN 102 N 0.31 0.00 -5.05 -1.34 2.35 -1.95 -3.49 115.58 106.43 3gpq h ASN 102 Ca -0.48 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.19 3gpq h ASN 102 Cb 1.36 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.57 3gpq h ASN 102 CO 0.50 0.19 -0.11 -0.94 -1.65 0.00 0.00 177.43 175.42 3gpq s SER 103 N -5.72 -0.27 -0.15 5.81 1.04 -1.26 -4.62 113.70 108.54 3gpq s SER 103 Ca 0.01 -0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.30 3gpq s SER 103 Cb 0.08 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.70 3gpq s SER 103 CO 0.77 -0.70 0.34 0.54 0.98 0.00 0.00 173.24 175.17 3gpq s VAL 104 N -2.75 -0.27 -0.14 5.02 0.11 -0.89 -3.51 120.40 117.97 3gpq s VAL 104 Ca -0.04 0.17 -0.22 0.00 -2.93 0.00 0.00 61.98 58.97 3gpq s VAL 104 Cb -0.00 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 3gpq s VAL 104 CO -0.04 0.07 0.66 0.00 -3.33 0.00 0.00 175.10 172.46 3gpq s ALA 105 N 1.91 3.47 -0.04 1.54 0.00 -0.53 -1.66 121.76 126.45 3gpq s ALA 105 Ca -0.05 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.82 3gpq s ALA 105 Cb -0.11 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.08 3gpq s ALA 105 CO -0.11 -0.35 -0.03 -1.50 0.00 0.00 0.00 175.76 173.77 3gpq s ILE 106 N 1.42 0.43 0.46 0.00 2.07 0.13 -1.44 121.20 124.29 3gpq s ILE 106 Ca 0.32 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 3gpq s ILE 106 Cb -0.16 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 41.95 3gpq s ILE 106 CO 0.13 0.20 0.67 -2.16 -1.91 0.00 0.00 174.94 171.87 3gpq s PRO 107 N 0.94 2.93 -1.24 3.50 0.04 -1.26 -0.35 135.00 139.56 3gpq s PRO 107 Ca -0.11 -0.64 -0.14 0.00 0.04 0.00 0.00 61.00 60.15 3gpq s PRO 107 Cb -0.14 -2.58 0.15 0.00 0.04 0.00 0.00 34.50 31.97 3gpq s PRO 107 CO -0.00 -0.35 1.56 1.28 0.04 0.00 0.00 177.00 179.53 3gpq n LEU 108 N -2.09 5.33 -4.42 -3.56 4.77 -1.26 -4.92 117.00 110.85 3gpq n LEU 108 Ca 0.03 -4.36 -0.33 0.00 -0.03 0.00 0.00 56.01 51.32 3gpq n LEU 108 Cb 0.58 -1.63 0.13 0.00 -2.33 0.00 0.00 43.42 40.17 3gpq n LEU 108 CO 0.46 0.68 -0.06 0.18 -1.33 0.00 0.00 177.39 177.32 3gpq n LEU 109 N 6.04 -0.14 0.00 2.23 4.32 -1.26 -2.77 117.00 125.41 3gpq n LEU 109 Ca 0.40 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.70 3gpq n LEU 109 Cb 0.43 -1.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 3gpq n LEU 109 CO 0.68 -3.53 0.00 -1.20 -1.22 0.00 0.00 177.39 172.11 3gpq n SER 110 N -1.52 -0.52 -2.22 -1.43 7.64 -1.26 -4.73 113.62 109.58 3gpq n SER 110 Ca 0.07 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.93 3gpq n SER 110 Cb 0.54 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3gpq n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3gpq n THR 111 N -2.15 0.00 -0.74 0.44 -2.24 -1.11 -3.33 114.28 105.15 3gpq n THR 111 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3gpq n THR 111 Cb 0.01 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 3gpq n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpq n GLY 112 N 4.47 3.49 0.00 3.38 0.00 -1.26 -1.73 105.19 113.53 3gpq n GLY 112 Ca 0.01 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.99 3gpq n GLY 112 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gpq n VAL 113 N 0.00 0.25 1.15 1.61 0.24 -1.26 -2.02 118.33 118.31 3gpq n VAL 113 Ca 0.00 0.06 0.12 0.00 -2.04 0.00 0.00 64.34 62.49 3gpq n VAL 113 Cb 0.00 -0.74 0.23 0.00 -1.47 0.00 0.00 33.84 31.86 3gpq n VAL 113 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3gpq n TYR 114 N -1.18 0.00 0.53 6.34 4.02 -0.71 -4.49 117.16 121.68 3gpq n TYR 114 Ca 0.12 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.13 3gpq n TYR 114 Cb 0.13 -0.07 0.45 0.00 -0.02 0.00 0.00 39.34 39.83 3gpq n TYR 114 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gpq n SER 115 N -0.38 0.58 -0.91 7.72 3.41 -0.86 0.51 113.62 123.71 3gpq n SER 115 Ca 0.11 0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 59.22 3gpq n SER 115 Cb 0.40 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 3gpq n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpq n GLY 116 N 0.55 0.72 3.30 5.00 0.00 -1.26 -2.62 105.19 110.88 3gpq n GLY 116 Ca 0.04 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 3gpq n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpq n GLY 117 N -1.48 -1.16 3.53 -0.02 0.00 -1.26 -4.67 105.19 100.13 3gpq n GLY 117 Ca -0.11 0.55 -0.11 0.00 0.00 0.00 0.00 46.02 46.35 3gpq n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpq s LYS 118 N -4.43 0.68 -0.03 1.61 1.02 -1.08 -5.13 119.74 112.37 3gpq s LYS 118 Ca 0.38 0.97 -0.34 0.00 0.02 0.00 0.00 55.97 57.00 3gpq s LYS 118 Cb -0.07 0.23 -0.12 0.00 -0.52 0.00 0.00 37.83 37.36 3gpq s LYS 118 CO 0.77 -0.12 1.83 -0.40 -0.92 0.00 0.00 175.35 176.51 3gpq n ASP 119 N 3.46 3.44 -0.04 2.83 5.75 -1.26 -4.73 116.55 126.00 3gpq n ASP 119 Ca -0.17 0.99 0.02 0.00 -0.01 0.00 0.00 54.79 55.62 3gpq n ASP 119 Cb 0.57 -1.39 0.03 0.00 -1.03 0.00 0.00 41.12 39.29 3gpq n ASP 119 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gpq n ARG 120 N 6.08 2.13 0.01 0.11 1.74 -1.26 -4.77 116.66 120.71 3gpq n ARG 120 Ca 0.21 -1.59 -0.13 0.00 -0.77 0.00 0.00 57.85 55.57 3gpq n ARG 120 Cb 0.30 -1.03 -0.07 0.00 -1.02 0.00 0.00 32.46 30.64 3gpq n ARG 120 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gpq h LEU 121 N 0.00 -1.39 -0.72 0.55 6.46 -1.93 0.32 115.31 118.61 3gpq h LEU 121 Ca 0.00 0.18 -0.10 0.00 -0.12 0.00 0.00 57.88 57.84 3gpq h LEU 121 Cb 0.71 0.55 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 3gpq h LEU 121 CO 0.00 -0.45 -0.08 0.74 -0.62 0.00 0.00 178.44 178.03 3gpq h THR 122 N -0.53 1.26 0.49 1.05 2.02 -1.99 0.04 112.91 115.25 3gpq h THR 122 Ca 0.06 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 3gpq h THR 122 Cb 0.65 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3gpq h THR 122 CO -0.39 0.41 -0.23 -0.61 0.37 0.00 0.00 175.52 175.07 3gpq h GLN 123 N 0.82 -0.63 0.19 6.66 4.15 -1.81 -2.41 115.11 122.08 3gpq h GLN 123 Ca 0.14 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 3gpq h GLN 123 Cb 0.59 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 3gpq h GLN 123 CO 0.04 -0.36 -0.23 1.03 -1.93 0.00 0.00 178.83 177.38 3gpq h SER 124 N -0.79 -0.64 -1.34 -0.69 0.87 -0.28 -2.59 113.55 108.08 3gpq h SER 124 Ca -0.07 0.05 0.43 0.00 -1.23 0.00 0.00 61.79 60.97 3gpq h SER 124 Cb 0.56 0.22 -0.12 0.00 -0.44 0.00 0.00 62.40 62.62 3gpq h SER 124 CO 0.11 -0.29 0.88 0.25 -0.53 0.00 0.00 176.83 177.26 3gpq h LEU 125 N -0.42 0.23 0.22 2.23 5.85 -1.06 -1.24 115.31 121.12 3gpq h LEU 125 Ca -0.02 0.11 -0.30 0.00 0.84 0.00 0.00 57.88 58.51 3gpq h LEU 125 Cb 0.38 0.10 0.03 0.00 0.37 0.00 0.00 40.66 41.54 3gpq h LEU 125 CO -0.05 -0.13 -1.35 0.78 -0.34 0.00 0.00 178.44 177.35 3gpq h ASN 126 N 0.10 0.73 -0.96 1.25 2.35 -1.26 -1.90 115.58 115.88 3gpq h ASN 126 Ca 0.80 -0.93 0.05 0.00 -0.55 0.00 0.00 56.30 55.67 3gpq h ASN 126 Cb 2.56 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 40.63 3gpq h ASN 126 CO -0.35 1.65 0.62 0.45 -1.65 0.00 0.00 177.43 178.15 3gpq h HIS 127 N 0.01 1.16 0.00 1.19 3.86 -0.86 -1.73 115.15 118.77 3gpq h HIS 127 Ca -0.24 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3gpq h HIS 127 Cb 2.03 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 30.12 3gpq h HIS 127 CO 0.14 0.64 0.00 -0.11 0.86 0.00 0.00 177.93 179.46 3gpq n LEU 128 N -4.50 0.00 -0.35 2.43 0.00 -0.72 -0.53 117.00 113.32 3gpq n LEU 128 Ca 0.14 0.93 0.30 0.00 0.00 0.00 0.00 56.01 57.38 3gpq n LEU 128 Cb 0.13 -0.43 0.51 0.00 0.00 0.00 0.00 43.42 43.63 3gpq n LEU 128 CO 0.33 -0.43 0.91 0.49 0.00 0.00 0.00 177.39 178.69 3gpq n PHE 129 N -1.92 0.56 -0.03 1.96 3.72 -0.72 0.29 117.46 121.32 3gpq n PHE 129 Ca 0.00 0.56 -0.10 0.00 -0.05 0.00 0.00 57.45 57.86 3gpq n PHE 129 Cb 0.00 -0.97 -0.09 0.00 -0.94 0.00 0.00 39.48 37.48 3gpq n PHE 129 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3gpq h THR 130 N 0.00 1.15 -0.19 4.37 2.02 -0.56 -2.72 112.91 116.97 3gpq h THR 130 Ca 0.66 -1.69 -0.16 0.00 0.77 0.00 0.00 66.41 66.00 3gpq h THR 130 Cb 2.11 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 70.61 3gpq h THR 130 CO -0.37 0.36 -0.52 0.00 0.37 0.00 0.00 175.52 175.36 3gpq h ALA 131 N -0.27 0.73 0.00 6.16 0.00 0.20 -3.23 119.26 122.85 3gpq h ALA 131 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gpq h ALA 131 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3gpq h ALA 131 CO 0.01 0.68 0.00 -1.33 0.00 0.00 0.00 179.25 178.61 3gpq n MET 132 N -3.97 0.43 0.00 0.00 2.00 0.14 -2.81 117.12 112.91 3gpq n MET 132 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.81 3gpq n MET 132 Cb 0.59 -1.50 0.79 0.00 0.00 0.00 0.00 33.22 33.09 3gpq n MET 132 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3gpq n ASP 133 N -1.29 0.00 -0.00 7.83 8.00 -1.03 -2.70 116.55 127.36 3gpq n ASP 133 Ca 0.14 -1.15 0.11 0.00 0.71 0.00 0.00 54.79 54.60 3gpq n ASP 133 Cb 0.24 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3gpq n ASP 133 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gpq n SER 134 N -0.92 0.84 0.00 -2.24 3.41 -1.12 -4.64 113.62 108.95 3gpq n SER 134 Ca 0.20 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 3gpq n SER 134 Cb 0.09 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 3gpq n SER 134 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gpq n THR 135 N -1.50 0.00 0.00 6.66 -2.24 -1.10 -5.05 114.28 111.06 3gpq n THR 135 Ca 0.04 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3gpq n THR 135 Cb 0.33 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3gpq n THR 135 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gpq n ASP 138 N 0.00 0.00 -4.66 3.42 5.75 -1.17 -4.57 116.55 115.32 3gpq n ASP 138 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.37 3gpq n ASP 138 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 3gpq n ASP 138 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3gpq s VAL 139 N -1.77 4.87 -0.21 2.12 1.01 0.18 -2.08 120.40 124.51 3gpq s VAL 139 Ca 0.00 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.61 3gpq s VAL 139 Cb 0.00 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.29 3gpq s VAL 139 CO 0.00 0.01 -0.11 -0.69 0.00 0.00 0.00 175.10 174.31 3gpq s VAL 140 N 2.29 1.77 -0.09 2.92 1.01 -0.67 0.65 120.40 128.28 3gpq s VAL 140 Ca 0.38 -1.13 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 3gpq s VAL 140 Cb -0.16 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3gpq s VAL 140 CO 0.11 0.15 0.79 -0.63 0.00 0.00 0.00 175.10 175.52 3gpq s ILE 141 N 1.33 4.97 -0.19 2.22 -1.09 0.22 -0.69 121.20 127.97 3gpq s ILE 141 Ca -0.02 1.60 -0.05 0.00 -2.23 0.00 0.00 60.65 59.94 3gpq s ILE 141 Cb -0.17 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.57 3gpq s ILE 141 CO -0.08 0.17 0.00 -0.31 -1.23 0.00 0.00 174.94 173.49 3gpq s TYR 142 N 1.26 3.06 0.32 3.97 2.02 0.52 -1.29 117.35 127.22 3gpq s TYR 142 Ca 0.40 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.80 3gpq s TYR 142 Cb -0.18 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 3gpq s TYR 142 CO 0.18 -0.15 0.24 0.00 -1.57 0.00 0.00 175.55 174.25 3gpq n ARG 144 N -0.61 2.66 -3.23 0.00 5.12 -1.26 -0.74 116.66 118.60 3gpq n ARG 144 Ca 0.05 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.59 3gpq n ARG 144 Cb 0.63 -0.83 -0.06 0.00 -1.16 0.00 0.00 32.46 31.04 3gpq n ARG 144 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3gpq s ASP 145 N -2.32 6.81 0.15 0.55 3.68 -1.26 -4.89 116.67 119.39 3gpq s ASP 145 Ca 0.00 0.96 -0.17 0.00 2.13 0.00 0.00 52.55 55.47 3gpq s ASP 145 Cb 0.00 -2.33 0.05 0.00 -1.45 0.00 0.00 42.92 39.19 3gpq s ASP 145 CO 0.00 -0.01 1.71 0.11 0.13 0.00 0.00 175.17 177.11 3gpq h LYS 146 N 6.54 0.10 0.00 4.34 1.79 -2.00 -1.74 116.57 125.59 3gpq h LYS 146 Ca -0.42 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.03 3gpq h LYS 146 Cb 1.19 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3gpq h LYS 146 CO 0.74 0.07 -0.06 1.49 -1.08 0.00 0.00 179.45 180.61 3gpq h GLU 147 N 0.10 0.00 -0.66 3.15 4.57 -1.99 -2.74 114.58 117.02 3gpq h GLU 147 Ca 0.16 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 3gpq h GLU 147 Cb 0.21 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3gpq h GLU 147 CO -0.25 0.06 0.34 -1.49 -1.18 0.00 0.00 179.01 176.49 3gpq h TRP 148 N 0.00 0.90 -0.59 0.92 4.06 -1.75 0.23 115.95 119.72 3gpq h TRP 148 Ca -0.00 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 3gpq h TRP 148 Cb 1.00 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.85 3gpq h TRP 148 CO 0.00 0.64 0.15 1.49 -3.56 0.00 0.00 178.44 177.16 3gpq h GLU 149 N 0.92 0.95 -0.44 0.49 4.81 -1.22 0.11 114.58 120.20 3gpq h GLU 149 Ca 0.23 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3gpq h GLU 149 Cb 0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3gpq h GLU 149 CO -0.04 0.87 -0.17 0.87 -0.73 0.00 0.00 179.01 179.82 3gpq h LYS 150 N 0.86 0.88 0.00 1.92 6.56 -1.16 -2.35 116.57 123.28 3gpq h LYS 150 Ca 0.19 -0.37 -0.00 0.00 -1.06 0.00 0.00 60.65 59.41 3gpq h LYS 150 Cb 0.34 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 3gpq h LYS 150 CO 0.00 1.01 -0.00 0.87 -2.06 0.00 0.00 179.45 179.27 3gpq h LYS 151 N 0.71 -0.00 -0.56 3.15 1.57 -0.34 -3.18 116.57 117.92 3gpq h LYS 151 Ca 0.10 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 3gpq h LYS 151 Cb 0.72 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 3gpq h LYS 151 CO 0.06 0.48 0.21 0.82 -0.57 0.00 0.00 179.45 180.44 3gpq h ILE 152 N -0.49 0.81 -0.01 1.86 1.08 -0.87 -3.51 117.51 116.37 3gpq h ILE 152 Ca -0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3gpq h ILE 152 Cb 0.49 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3gpq h ILE 152 CO 0.00 0.07 0.00 -0.24 -0.69 0.00 0.00 178.15 177.29