#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpq s PRO 2 N 0.00 4.18 0.28 0.00 0.02 -1.26 -4.98 135.00 133.24 3gpq s PRO 2 Ca 0.00 2.46 0.01 0.00 0.02 0.00 0.00 61.00 63.49 3gpq s PRO 2 Cb 0.00 -3.09 -0.00 0.00 0.02 0.00 0.00 34.50 31.43 3gpq s PRO 2 CO 0.00 -0.60 0.03 -1.13 -0.33 0.00 0.00 177.00 174.97 3gpq n SER 3 N 3.05 2.22 -4.04 2.53 3.41 -1.26 -4.98 113.62 114.55 3gpq n SER 3 Ca 0.11 -2.29 -0.25 0.00 -0.26 0.00 0.00 58.87 56.18 3gpq n SER 3 Cb 0.38 0.35 -0.17 0.00 -0.26 0.00 0.00 64.21 64.51 3gpq n SER 3 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3gpq s TYR 4 N -2.20 1.53 0.07 7.33 1.51 -1.26 -2.15 117.35 122.18 3gpq s TYR 4 Ca 0.04 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 3gpq s TYR 4 Cb 0.00 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.72 3gpq s TYR 4 CO 0.03 -0.27 -0.09 1.03 -1.11 0.00 0.00 175.55 175.14 3gpq s ARG 5 N 0.57 0.70 0.19 -0.62 0.52 -0.41 -5.01 118.95 114.90 3gpq s ARG 5 Ca -0.14 -0.97 0.08 0.00 -0.52 0.00 0.00 55.73 54.18 3gpq s ARG 5 Cb -0.15 -0.44 -0.04 0.00 0.52 0.00 0.00 34.95 34.84 3gpq s ARG 5 CO 0.04 0.07 0.01 0.54 0.02 0.00 0.00 175.30 175.98 3gpq s VAL 6 N -1.92 3.71 -0.13 3.52 0.11 -1.26 0.96 120.40 125.38 3gpq s VAL 6 Ca -0.02 -1.48 -0.06 0.00 -2.93 0.00 0.00 61.98 57.49 3gpq s VAL 6 Cb -0.06 -2.88 0.06 0.00 -1.53 0.00 0.00 36.38 31.96 3gpq s VAL 6 CO -0.00 -0.15 0.30 -0.54 -3.33 0.00 0.00 175.10 171.38 3gpq s LYS 7 N -3.06 0.24 -1.04 1.54 1.02 -0.29 -4.85 119.74 113.30 3gpq s LYS 7 Ca 0.28 0.69 -0.23 0.00 0.02 0.00 0.00 55.97 56.73 3gpq s LYS 7 Cb -0.09 -0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.21 3gpq s LYS 7 CO 0.19 -0.20 1.62 0.50 -0.92 0.00 0.00 175.35 176.54 3gpq s ARG 8 N 1.70 3.36 0.02 1.68 3.52 -1.25 -3.08 118.95 124.90 3gpq s ARG 8 Ca -0.06 -1.05 -0.16 0.00 -0.13 0.00 0.00 55.73 54.32 3gpq s ARG 8 Cb -0.10 -5.31 0.03 0.00 -1.56 0.00 0.00 34.95 28.00 3gpq s ARG 8 CO -0.10 -2.56 0.35 1.41 -0.81 0.00 0.00 175.30 173.59 3gpq s MET 9 N 5.40 0.79 0.18 5.12 1.75 -1.03 -4.95 119.30 126.56 3gpq s MET 9 Ca 0.53 -0.31 -0.32 0.00 -1.25 0.00 0.00 55.69 54.35 3gpq s MET 9 Cb -0.01 0.35 -0.11 0.00 2.84 0.00 0.00 34.83 37.90 3gpq s MET 9 CO -0.04 -0.25 1.78 0.34 -0.65 0.00 0.00 175.02 176.20 3gpq s ASP 10 N -1.72 6.38 0.00 1.11 -1.08 -1.26 -4.42 116.67 115.69 3gpq s ASP 10 Ca -0.09 2.84 0.28 0.00 -0.52 0.00 0.00 52.55 55.06 3gpq s ASP 10 Cb -0.02 -2.59 1.01 0.00 -1.46 0.00 0.00 42.92 39.86 3gpq s ASP 10 CO 0.01 -1.00 1.76 0.00 0.52 0.00 0.00 175.17 176.46 3gpq n ILE 11 N 4.30 0.00 0.35 4.11 3.06 -1.26 -2.66 119.36 127.26 3gpq n ILE 11 Ca 0.17 -0.01 0.13 0.00 -2.50 0.00 0.00 62.75 60.54 3gpq n ILE 11 Cb 0.36 -0.20 0.56 0.00 0.54 0.00 0.00 39.64 40.90 3gpq n ILE 11 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3gpq h ALA 12 N 3.10 1.00 -0.26 1.51 0.00 -1.90 -3.09 119.26 119.63 3gpq h ALA 12 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3gpq h ALA 12 Cb 0.47 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.08 3gpq h ALA 12 CO 0.00 0.00 -0.66 1.63 0.00 0.00 0.00 179.25 180.22 3gpq n LYS 13 N -2.40 2.17 -0.76 0.00 4.01 -1.09 -4.99 118.16 115.10 3gpq n LYS 13 Ca 0.01 -3.52 -0.32 0.00 -0.51 0.00 0.00 58.31 53.97 3gpq n LYS 13 Cb 0.21 -1.74 0.15 0.00 -0.51 0.00 0.00 35.03 33.14 3gpq n LYS 13 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3gpq n ASN 14 N -0.87 -0.34 -1.25 4.39 0.23 -1.17 -4.97 115.26 111.28 3gpq n ASN 14 Ca 0.26 0.41 0.02 0.00 -0.53 0.00 0.00 54.58 54.75 3gpq n ASN 14 Cb 0.81 -1.40 0.26 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 -3.23 3.89 -4.69 0.53 2.03 -1.26 -5.02 116.55 108.80 3gpq n ASP 15 Ca 0.11 -3.22 -0.26 0.00 0.52 0.00 0.00 54.79 51.94 3gpq n ASP 15 Cb 0.52 -0.62 -0.09 0.00 -0.72 0.00 0.00 41.12 40.22 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 -2.96 2.13 0.16 -0.67 8.01 -1.26 -5.03 118.70 119.08 3gpq s GLU 16 Ca 0.46 -1.90 0.24 0.00 0.01 0.00 0.00 54.97 53.79 3gpq s GLU 16 Cb 0.38 -1.88 0.91 0.00 -4.31 0.00 0.00 34.13 29.24 3gpq s GLU 16 CO 0.08 -0.06 1.74 0.39 0.01 0.00 0.00 175.26 177.43 3gpq n GLU 17 N -1.12 0.16 -3.62 1.61 1.02 -1.25 -4.83 120.64 112.62 3gpq n GLU 17 Ca -0.03 0.24 -0.10 0.00 -0.02 0.00 0.00 57.16 57.26 3gpq n GLU 17 Cb 0.65 -1.73 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 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 -3.83 1.18 -0.17 0.00 0.11 -1.04 -0.99 120.40 115.66 3gpq s VAL 19 Ca 0.06 -0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 58.06 3gpq s VAL 19 Cb -0.02 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 3gpq s VAL 19 CO -0.05 0.09 0.16 -0.69 -3.33 0.00 0.00 175.10 171.29 3gpq s VAL 20 N -0.74 5.40 -0.16 2.04 1.01 -0.02 -0.57 120.40 127.36 3gpq s VAL 20 Ca 0.03 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 3gpq s VAL 20 Cb -0.07 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3gpq s VAL 20 CO 0.01 0.47 0.16 0.21 0.00 0.00 0.00 175.10 175.96 3gpq s ASN 21 N 0.05 6.32 -1.28 3.32 2.47 0.84 -4.53 114.94 122.14 3gpq s ASN 21 Ca 0.11 0.38 -0.19 0.00 0.42 0.00 0.00 52.86 53.58 3gpq s ASN 21 Cb -0.12 -2.10 0.03 0.00 -1.45 0.00 0.00 41.25 37.62 3gpq s ASN 21 CO 0.01 0.26 1.79 0.00 -3.72 0.00 0.00 177.10 175.43 3gpq n ALA 22 N 2.92 3.17 -2.09 1.71 0.00 -1.26 -0.74 120.51 124.22 3gpq n ALA 22 Ca -0.17 -3.66 -0.20 0.00 0.00 0.00 0.00 53.44 49.41 3gpq n ALA 22 Cb 0.53 -3.58 0.02 0.00 0.00 0.00 0.00 19.45 16.42 3gpq n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gpq s ALA 23 N 5.77 4.08 0.30 0.00 0.00 -0.71 -3.82 121.76 127.38 3gpq s ALA 23 Ca 0.57 -1.39 0.07 0.00 0.00 0.00 0.00 51.96 51.21 3gpq s ALA 23 Cb 0.03 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 3gpq s ALA 23 CO 0.09 -0.49 0.32 0.54 0.00 0.00 0.00 175.76 176.22 3gpq s ASN 24 N -4.35 5.64 -1.26 0.00 2.20 -1.26 -4.07 114.94 111.84 3gpq s ASN 24 Ca 0.54 -0.29 -0.18 0.00 -0.94 0.00 0.00 52.86 51.99 3gpq s ASN 24 Cb -0.10 -1.26 0.01 0.00 -2.00 0.00 0.00 41.25 37.89 3gpq s ASN 24 CO 0.36 -0.25 1.94 -0.81 -2.94 0.00 0.00 177.10 175.40 3gpq n PRO 25 N -1.39 2.62 -4.26 3.55 -0.05 -1.26 -4.63 135.00 129.60 3gpq n PRO 25 Ca -0.04 -2.77 -0.21 0.00 -0.05 0.00 0.00 63.50 60.43 3gpq n PRO 25 Cb 0.59 -3.40 -0.12 0.00 -0.05 0.00 0.00 33.50 30.51 3gpq n PRO 25 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 3gpq s GLY 27 N 4.39 1.15 0.00 0.55 0.00 -1.26 -4.23 107.32 107.92 3gpq s GLY 27 Ca 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 44.02 3gpq s GLY 27 CO 0.04 -1.27 0.00 1.04 0.00 0.00 0.00 173.10 172.91 3gpq n LEU 28 N 0.87 0.00 0.00 0.66 4.77 -1.26 -4.86 117.00 117.18 3gpq n LEU 28 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3gpq n LEU 28 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3gpq n LEU 28 CO 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.30 3gpq n LYS 35 N -0.81 0.00 -0.20 0.00 2.85 -1.26 -4.55 118.16 114.20 3gpq n LYS 35 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 3gpq n LYS 35 Cb 0.00 -0.60 0.02 0.00 -0.65 0.00 0.00 35.03 33.80 3gpq n LYS 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gpq h ALA 36 N 0.00 0.75 0.46 0.58 0.00 -2.01 -2.99 119.26 116.05 3gpq h ALA 36 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gpq h ALA 36 Cb 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gpq h ALA 36 CO 0.00 0.56 -0.27 0.28 0.00 0.00 0.00 179.25 179.82 3gpq h VAL 37 N 0.86 0.45 -0.80 0.00 2.07 -1.95 -1.42 116.25 115.47 3gpq h VAL 37 Ca 0.16 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.87 3gpq h VAL 37 Cb 0.51 0.45 -0.13 0.00 -1.52 0.00 0.00 31.29 30.61 3gpq h VAL 37 CO 0.02 0.00 0.13 0.22 0.02 0.00 0.00 177.57 177.96 3gpq h TYR 38 N -0.69 0.17 0.38 1.57 3.20 -1.80 0.16 116.97 119.96 3gpq h TYR 38 Ca -0.06 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3gpq h TYR 38 Cb 0.55 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3gpq h TYR 38 CO -0.08 -0.19 -0.48 0.87 -1.64 0.00 0.00 178.16 176.64 3gpq h LYS 39 N 0.18 -0.85 0.00 1.82 1.57 -1.29 -2.29 116.57 115.71 3gpq h LYS 39 Ca 0.46 0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 59.16 3gpq h LYS 39 Cb 0.85 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3gpq h LYS 39 CO -0.63 -0.56 -0.66 -0.22 -0.57 0.00 0.00 179.45 176.81 3gpq h LYS 40 N -0.88 0.00 -2.12 3.15 1.63 -0.72 -3.36 116.57 114.27 3gpq h LYS 40 Ca -0.05 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.22 3gpq h LYS 40 Cb 0.79 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.01 3gpq h LYS 40 CO -0.11 0.66 -0.94 0.91 -3.45 0.00 0.00 179.45 176.51 3gpq n TRP 41 N -3.51 1.83 -0.30 1.91 8.01 0.51 -4.95 117.44 120.94 3gpq n TRP 41 Ca -0.00 -3.89 0.11 0.00 -1.31 0.00 0.00 57.50 52.41 3gpq n TRP 41 Cb 0.71 -0.45 0.34 0.00 -2.01 0.00 0.00 31.31 29.90 3gpq n TRP 41 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3gpq h PRO 42 N 3.12 0.75 -0.36 -0.99 0.11 -1.57 -2.27 132.00 130.81 3gpq h PRO 42 Ca 0.11 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 3gpq h PRO 42 Cb 0.77 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3gpq h PRO 42 CO 0.64 0.50 0.04 0.93 -0.21 0.00 0.00 178.00 179.90 3gpq h GLU 43 N 0.78 0.54 0.00 1.05 3.07 -1.90 -1.55 114.58 116.57 3gpq h GLU 43 Ca 0.47 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 3gpq h GLU 43 Cb 0.68 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3gpq h GLU 43 CO -0.23 0.53 -0.05 0.66 -1.40 0.00 0.00 179.01 178.51 3gpq h SER 44 N 0.52 0.00 -0.04 1.42 4.64 -1.53 -1.48 113.55 117.09 3gpq h SER 44 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 3gpq h SER 44 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3gpq h SER 44 CO 0.00 0.05 0.01 0.33 -0.87 0.00 0.00 176.83 176.36 3gpq n PHE 45 N -3.33 0.12 -3.46 4.77 7.35 -0.58 -4.42 117.46 117.91 3gpq n PHE 45 Ca -0.01 -0.26 -0.43 0.00 -0.76 0.00 0.00 57.45 55.98 3gpq n PHE 45 Cb 0.21 -0.19 -0.08 0.00 0.35 0.00 0.00 39.48 39.77 3gpq n PHE 45 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3gpq s LYS 46 N -0.69 2.87 -0.77 -4.13 2.20 -0.56 -4.42 119.74 114.24 3gpq s LYS 46 Ca 0.03 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.26 3gpq s LYS 46 Cb 0.02 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 3gpq s LYS 46 CO 0.01 -1.00 0.00 0.09 -0.36 0.00 0.00 175.35 174.09 3gpq n ASN 47 N 5.12 -3.20 -0.39 1.43 4.13 -1.26 -4.90 115.26 116.17 3gpq n ASN 47 Ca -0.12 0.03 0.07 0.00 1.68 0.00 0.00 54.58 56.24 3gpq n ASN 47 Cb 0.44 -2.33 0.26 0.00 -1.54 0.00 0.00 39.78 36.61 3gpq n ASN 47 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3gpq n SER 48 N 0.39 1.15 -4.46 6.41 3.41 -1.26 -4.89 113.62 114.37 3gpq n SER 48 Ca -0.10 -1.81 -0.50 0.00 -0.26 0.00 0.00 58.87 56.20 3gpq n SER 48 Cb 0.53 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 3gpq n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gpq n ALA 49 N 0.06 1.17 -3.69 7.33 0.00 -1.26 -4.43 120.51 119.69 3gpq n ALA 49 Ca 0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 3gpq n ALA 49 Cb 0.21 -2.59 -0.10 0.00 0.00 0.00 0.00 19.45 16.97 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 7.41 -0.02 0.75 0.00 -1.32 -1.26 -4.97 115.64 116.24 3gpq s THR 50 Ca 1.08 0.08 -0.14 0.00 -1.21 0.00 0.00 61.69 61.51 3gpq s THR 50 Cb -0.79 -0.64 0.05 0.00 -1.51 0.00 0.00 72.50 69.61 3gpq s THR 50 CO 0.47 0.03 1.20 -2.84 -2.21 0.00 0.00 174.62 171.28 3gpq s PRO 51 N 1.41 2.00 0.49 7.08 0.02 -1.26 -4.00 135.00 140.74 3gpq s PRO 51 Ca -0.10 1.74 -0.23 0.00 0.02 0.00 0.00 61.00 62.44 3gpq s PRO 51 Cb -0.08 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.54 3gpq s PRO 51 CO -0.13 -1.94 1.07 1.55 -0.33 0.00 0.00 177.00 177.22 3gpq n VAL 52 N -2.91 2.93 -0.66 3.83 3.14 -1.26 -2.33 118.33 121.07 3gpq n VAL 52 Ca 0.13 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 3gpq n VAL 52 Cb 0.50 -1.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 3gpq n VAL 52 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gpq n GLY 53 N 1.11 0.72 3.13 7.55 0.00 -0.32 -4.99 105.19 112.38 3gpq n GLY 53 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.39 0.36 0.32 2.61 -4.23 -0.98 -3.83 115.64 107.50 3gpq s THR 54 Ca 0.00 -1.87 0.04 0.00 -1.18 0.00 0.00 61.69 58.68 3gpq s THR 54 Cb 0.00 -1.68 -0.06 0.00 1.34 0.00 0.00 72.50 72.10 3gpq s THR 54 CO 0.00 -0.86 0.06 0.00 -0.54 0.00 0.00 174.62 173.28 3gpq s ALA 55 N -3.84 2.32 0.00 3.99 0.00 -1.26 -1.32 121.76 121.65 3gpq s ALA 55 Ca 0.12 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.03 3gpq s ALA 55 Cb 0.07 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3gpq s ALA 55 CO -0.06 -0.32 0.00 0.28 0.00 0.00 0.00 175.76 175.66 3gpq n VAL 58 N -0.67 0.00 -2.47 0.00 0.31 -1.22 -4.93 118.33 109.34 3gpq n VAL 58 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.99 3gpq n VAL 58 Cb 0.67 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.56 3gpq n VAL 58 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3gpq s MET 59 N -2.33 3.89 -0.63 5.55 -1.94 -1.26 -2.24 119.30 120.34 3gpq s MET 59 Ca 0.00 0.84 0.05 0.00 -1.71 0.00 0.00 55.69 54.86 3gpq s MET 59 Cb 0.00 -2.19 0.16 0.00 2.01 0.00 0.00 34.83 34.81 3gpq s MET 59 CO 0.00 -0.23 0.43 0.00 -0.01 0.00 0.00 175.02 175.20 3gpq n GLY 61 N 2.33 1.57 0.08 0.00 0.00 -1.26 -3.19 105.19 104.72 3gpq n GLY 61 Ca 0.18 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.80 3gpq n GLY 61 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3gpq n THR 62 N 0.00 0.00 -2.79 2.61 5.66 -1.26 -5.03 114.28 113.47 3gpq n THR 62 Ca 0.00 -0.47 -0.42 0.00 -3.05 0.00 0.00 64.05 60.11 3gpq n THR 62 Cb 0.00 1.04 -0.03 0.00 -1.55 0.00 0.00 70.33 69.79 3gpq n THR 62 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 3gpq s TYR 63 N -0.68 3.39 0.11 1.09 5.04 -1.19 -5.03 117.35 120.08 3gpq s TYR 63 Ca 0.03 1.35 -0.30 0.00 -2.44 0.00 0.00 57.07 55.71 3gpq s TYR 63 Cb 0.03 -3.12 -0.06 0.00 0.35 0.00 0.00 41.96 39.15 3gpq s TYR 63 CO 0.07 -0.34 0.97 -2.14 -1.34 0.00 0.00 175.55 172.78 3gpq s PRO 64 N 2.55 4.69 -0.29 4.97 0.02 -1.26 0.03 135.00 145.70 3gpq s PRO 64 Ca 0.41 1.46 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 3gpq s PRO 64 Cb -0.16 -3.38 0.05 0.00 0.02 0.00 0.00 34.50 31.03 3gpq s PRO 64 CO 0.11 0.20 -0.02 0.08 -0.33 0.00 0.00 177.00 177.03 3gpq s VAL 65 N 0.03 2.83 -0.68 3.83 1.01 -0.95 -2.50 120.40 123.97 3gpq s VAL 65 Ca 0.47 -1.42 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 3gpq s VAL 65 Cb -0.23 -2.63 0.08 0.00 0.00 0.00 0.00 36.38 33.59 3gpq s VAL 65 CO 0.30 -0.09 0.97 -0.63 0.00 0.00 0.00 175.10 175.66 3gpq s ILE 66 N 1.23 4.36 -0.71 2.22 1.01 0.26 -3.42 121.20 126.14 3gpq s ILE 66 Ca -0.06 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 3gpq s ILE 66 Cb -0.20 -4.69 0.00 0.00 0.01 0.00 0.00 42.46 37.59 3gpq s ILE 66 CO -0.02 -1.46 1.59 -1.00 0.00 0.00 0.00 174.94 174.05 3gpq s HIS 67 N 3.94 1.99 -0.22 3.97 3.76 -1.26 -0.11 115.29 127.35 3gpq s HIS 67 Ca 0.23 0.31 -0.07 0.00 -0.15 0.00 0.00 55.06 55.38 3gpq s HIS 67 Cb -0.16 -4.36 -0.03 0.00 1.11 0.00 0.00 32.58 29.14 3gpq s HIS 67 CO 0.08 -2.15 0.06 0.00 -0.85 0.00 0.00 174.74 171.88 3gpq s ALA 68 N 7.45 3.21 -0.51 -1.40 0.00 0.08 -4.03 121.76 126.54 3gpq s ALA 68 Ca 0.52 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 3gpq s ALA 68 Cb -0.09 -1.98 0.12 0.00 0.00 0.00 0.00 23.12 21.16 3gpq s ALA 68 CO 0.15 -0.23 0.44 0.08 0.00 0.00 0.00 175.76 176.20 3gpq s VAL 69 N 1.15 4.99 0.49 0.00 1.01 -0.43 -1.75 120.40 125.86 3gpq s VAL 69 Ca 0.04 -1.47 -0.15 0.00 0.00 0.00 0.00 61.98 60.40 3gpq s VAL 69 Cb -0.14 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 3gpq s VAL 69 CO 0.03 -0.79 0.93 -0.83 0.00 0.00 0.00 175.10 174.45 3gpq s GLY 70 N 3.20 2.04 0.48 4.51 0.00 -1.26 -1.18 107.32 115.12 3gpq s GLY 70 Ca 0.04 0.10 -0.22 0.00 0.00 0.00 0.00 44.72 44.63 3gpq s GLY 70 CO 0.03 0.35 1.20 2.56 0.00 0.00 0.00 173.10 177.24 3gpq s PRO 71 N -4.00 3.59 -0.41 2.90 0.04 -1.26 -4.84 135.00 131.02 3gpq s PRO 71 Ca 0.57 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 63.23 3gpq s PRO 71 Cb -0.10 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.12 3gpq s PRO 71 CO 0.31 -0.71 0.81 1.21 0.04 0.00 0.00 177.00 178.66 3gpq s ASN 72 N -1.32 6.49 0.00 6.66 3.84 -1.26 -4.61 114.94 124.74 3gpq s ASN 72 Ca 0.66 0.14 0.27 0.00 0.21 0.00 0.00 52.86 54.15 3gpq s ASN 72 Cb -0.31 -2.40 1.53 0.00 -0.55 0.00 0.00 41.25 39.52 3gpq s ASN 72 CO 0.37 -0.86 1.97 0.49 -2.79 0.00 0.00 177.10 176.28 3gpq n PHE 73 N 6.66 0.00 0.15 0.43 3.72 0.20 -0.82 117.46 127.79 3gpq n PHE 73 Ca 0.03 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.46 3gpq n PHE 73 Cb 0.48 -0.13 0.14 0.00 -0.94 0.00 0.00 39.48 39.04 3gpq n PHE 73 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gpq h SER 74 N 0.00 0.00 0.00 4.37 4.64 -1.87 -3.33 113.55 117.35 3gpq h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gpq h SER 74 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3gpq h SER 74 CO 0.00 0.49 -0.89 0.59 -0.87 0.00 0.00 176.83 176.15 3gpq n ASN 75 N -3.36 0.95 -4.56 4.97 4.13 -0.05 -4.98 115.26 112.35 3gpq n ASN 75 Ca 0.01 -0.60 -0.29 0.00 1.68 0.00 0.00 54.58 55.38 3gpq n ASN 75 Cb 0.66 1.17 -0.10 0.00 -1.54 0.00 0.00 39.78 39.97 3gpq n ASN 75 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3gpq s TYR 76 N -2.45 2.68 0.73 3.10 2.02 -0.00 -5.03 117.35 118.39 3gpq s TYR 76 Ca 0.02 -0.19 -0.11 0.00 -0.37 0.00 0.00 57.07 56.42 3gpq s TYR 76 Cb 0.10 -1.38 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 3gpq s TYR 76 CO 0.56 0.44 1.07 -1.54 -1.57 0.00 0.00 175.55 174.51 3gpq s SER 77 N -2.35 5.10 0.23 2.29 1.04 -1.26 -4.71 113.70 114.04 3gpq s SER 77 Ca 0.22 1.52 -0.06 0.00 0.48 0.00 0.00 55.95 58.10 3gpq s SER 77 Cb -0.10 -2.35 0.36 0.00 0.10 0.00 0.00 66.02 64.03 3gpq s SER 77 CO 0.13 -1.61 1.76 -0.33 0.98 0.00 0.00 173.24 174.17 3gpq h GLU 78 N -0.84 0.53 0.66 4.02 4.39 -1.99 -0.35 114.58 121.00 3gpq h GLU 78 Ca -0.45 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.19 3gpq h GLU 78 Cb 1.23 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3gpq h GLU 78 CO 0.58 0.35 -0.32 1.03 -1.16 0.00 0.00 179.01 179.49 3gpq h SER 79 N 0.54 -0.75 -0.37 1.42 0.87 -2.00 -2.07 113.55 111.19 3gpq h SER 79 Ca 0.36 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.79 3gpq h SER 79 Cb 0.44 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 3gpq h SER 79 CO -0.31 -0.49 -0.28 -0.33 -0.53 0.00 0.00 176.83 174.89 3gpq h GLU 80 N -0.95 0.90 -0.63 2.24 4.39 -1.92 -2.66 114.58 115.94 3gpq h GLU 80 Ca -0.09 -0.41 0.04 0.00 0.34 0.00 0.00 59.36 59.25 3gpq h GLU 80 Cb 0.70 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 3gpq h GLU 80 CO 0.15 1.06 0.36 0.78 -1.16 0.00 0.00 179.01 180.20 3gpq h GLY 81 N 0.89 0.91 0.96 -3.84 0.00 -1.11 -1.03 103.07 99.85 3gpq h GLY 81 Ca 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.17 3gpq h GLY 81 CO 0.07 0.19 0.60 -1.80 0.00 0.00 0.00 176.54 175.60 3gpq h ASP 82 N 0.69 1.03 -0.44 0.19 3.58 -1.04 0.21 116.42 120.64 3gpq h ASP 82 Ca 0.27 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.59 3gpq h ASP 82 Cb 0.11 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 3gpq h ASP 82 CO -0.15 0.73 -0.13 -0.09 -2.88 0.00 0.00 179.24 176.72 3gpq h ARG 83 N 1.21 0.92 0.00 0.28 9.65 -1.08 -1.48 114.38 123.87 3gpq h ARG 83 Ca 0.35 -0.34 -0.19 0.00 -1.10 0.00 0.00 59.98 58.70 3gpq h ARG 83 Cb -0.09 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 3gpq h ARG 83 CO -0.09 0.99 -0.89 0.93 2.80 0.00 0.00 179.97 183.71 3gpq h GLU 84 N 0.82 0.01 -0.26 0.20 4.39 -0.63 -2.11 114.58 117.00 3gpq h GLU 84 Ca 0.13 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 3gpq h GLU 84 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3gpq h GLU 84 CO 0.05 0.89 0.06 1.25 -1.16 0.00 0.00 179.01 180.10 3gpq h LEU 85 N 0.00 0.39 -0.23 1.33 5.85 -0.40 -0.57 115.31 121.69 3gpq h LEU 85 Ca -0.01 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3gpq h LEU 85 Cb 1.57 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 3gpq h LEU 85 CO 0.12 0.53 0.15 0.00 -0.34 0.00 0.00 178.44 178.90 3gpq h ALA 86 N 0.88 0.29 -0.56 1.25 0.00 -1.24 -2.05 119.26 117.84 3gpq h ALA 86 Ca 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3gpq h ALA 86 Cb 0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3gpq h ALA 86 CO 0.00 -0.22 0.27 0.00 0.00 0.00 0.00 179.25 179.30 3gpq h ALA 87 N 1.07 0.72 0.27 0.00 0.00 -1.38 -1.63 119.26 118.31 3gpq h ALA 87 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gpq h ALA 87 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3gpq h ALA 87 CO -0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 179.25 178.83 3gpq h ALA 88 N 1.32 -0.97 -0.66 0.00 0.00 -0.96 -2.10 119.26 115.90 3gpq h ALA 88 Ca 0.26 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.22 3gpq h ALA 88 Cb 0.21 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3gpq h ALA 88 CO -0.20 -1.00 0.46 1.88 0.00 0.00 0.00 179.25 180.39 3gpq h TYR 89 N -0.59 0.22 -0.11 0.00 0.99 -1.26 -1.26 116.97 114.96 3gpq h TYR 89 Ca -0.03 0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.56 3gpq h TYR 89 Cb 0.52 -0.07 0.01 0.00 1.00 0.00 0.00 36.73 38.19 3gpq h TYR 89 CO -0.22 0.08 -0.47 -0.09 -0.00 0.00 0.00 178.16 177.46 3gpq h ARG 90 N 0.19 0.52 -0.82 4.88 2.43 -1.22 -2.88 114.38 117.46 3gpq h ARG 90 Ca 0.32 -0.41 0.13 0.00 -0.81 0.00 0.00 59.98 59.21 3gpq h ARG 90 Cb 1.00 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 3gpq h ARG 90 CO -0.06 1.03 0.54 0.93 -1.51 0.00 0.00 179.97 180.91 3gpq h GLU 91 N 0.12 0.61 -0.56 0.20 5.08 -0.52 0.67 114.58 120.17 3gpq h GLU 91 Ca -0.03 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3gpq h GLU 91 Cb 1.11 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.15 3gpq h GLU 91 CO 0.10 0.40 0.14 0.28 -1.00 0.00 0.00 179.01 178.93 3gpq h VAL 92 N 0.63 0.70 -0.44 3.13 2.07 -1.33 0.29 116.25 121.31 3gpq h VAL 92 Ca 0.40 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 3gpq h VAL 92 Cb 0.67 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3gpq h VAL 92 CO -0.16 0.05 0.20 0.00 0.02 0.00 0.00 177.57 177.68 3gpq h ALA 93 N 1.43 0.56 -0.30 1.67 0.00 0.45 0.34 119.26 123.42 3gpq h ALA 93 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gpq h ALA 93 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3gpq h ALA 93 CO -0.35 0.13 0.18 -0.22 0.00 0.00 0.00 179.25 178.99 3gpq h LYS 94 N 0.56 0.40 -0.00 0.00 1.63 -0.62 -1.20 116.57 117.34 3gpq h LYS 94 Ca 0.15 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 3gpq h LYS 94 Cb 0.13 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3gpq h LYS 94 CO -0.02 0.31 -0.16 0.93 -3.45 0.00 0.00 179.45 177.07 3gpq h GLU 95 N 0.38 -0.25 -0.62 1.90 4.39 -0.18 -2.18 114.58 118.02 3gpq h GLU 95 Ca 0.11 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 3gpq h GLU 95 Cb 0.01 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3gpq h GLU 95 CO -0.02 -0.17 0.05 0.28 -1.16 0.00 0.00 179.01 178.00 3gpq h VAL 96 N -0.26 1.26 -0.44 3.13 2.07 -0.16 0.18 116.25 122.03 3gpq h VAL 96 Ca 0.05 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3gpq h VAL 96 Cb 0.33 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3gpq h VAL 96 CO -0.15 0.40 0.26 0.74 0.02 0.00 0.00 177.57 178.84 3gpq h THR 97 N 0.96 1.15 -0.55 2.57 2.02 -1.26 -1.78 112.91 116.02 3gpq h THR 97 Ca 0.18 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3gpq h THR 97 Cb 0.50 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3gpq h THR 97 CO 0.02 0.15 0.33 -0.09 0.37 0.00 0.00 175.52 176.30 3gpq h ARG 98 N 0.58 0.74 0.00 6.66 2.43 -0.80 -1.42 114.38 122.58 3gpq h ARG 98 Ca 0.16 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3gpq h ARG 98 Cb 0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3gpq h ARG 98 CO -0.03 0.54 0.00 -0.07 -1.51 0.00 0.00 179.97 178.90 3gpq h LEU 99 N 0.73 0.00 0.00 3.80 3.38 -0.55 -3.46 115.31 119.21 3gpq h LEU 99 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3gpq h LEU 99 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3gpq h LEU 99 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 3gpq n GLY 100 N -0.19 0.19 3.71 0.83 0.00 -0.53 -4.95 105.19 104.25 3gpq n GLY 100 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3gpq n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpq s VAL 101 N -1.51 2.70 -0.19 1.61 -7.23 -1.23 -4.96 120.40 109.60 3gpq s VAL 101 Ca 0.00 0.23 0.21 0.00 -1.81 0.00 0.00 61.98 60.61 3gpq s VAL 101 Cb 0.00 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 34.30 3gpq s VAL 101 CO 0.00 -0.30 0.91 0.59 -0.31 0.00 0.00 175.10 175.99 3gpq n ASN 102 N -3.93 0.73 0.00 4.85 3.02 -1.26 -4.82 115.26 113.84 3gpq n ASN 102 Ca 0.09 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 3gpq n ASN 102 Cb 0.54 0.59 0.00 0.00 -0.61 0.00 0.00 39.78 40.30 3gpq n ASN 102 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gpq n SER 103 N -2.67 0.00 -3.69 6.41 3.41 -1.26 -1.52 113.62 114.30 3gpq n SER 103 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.37 3gpq n SER 103 Cb 0.62 0.00 -0.18 0.00 -0.26 0.00 0.00 64.21 64.39 3gpq n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gpq s ALA 105 N -1.94 0.33 -0.05 7.33 0.00 -0.16 -3.78 121.76 123.48 3gpq s ALA 105 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.08 3gpq s ALA 105 Cb 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.49 3gpq s ALA 105 CO 0.00 -0.50 -0.05 -1.50 0.00 0.00 0.00 175.76 173.71 3gpq s ILE 106 N 2.13 0.58 0.49 0.00 1.10 -0.58 -0.84 121.20 124.08 3gpq s ILE 106 Ca 0.05 -0.13 -0.01 0.00 -0.51 0.00 0.00 60.65 60.05 3gpq s ILE 106 Cb -0.12 -0.61 -0.00 0.00 0.15 0.00 0.00 42.46 41.87 3gpq s ILE 106 CO -0.04 0.24 0.73 -2.16 -2.11 0.00 0.00 174.94 171.61 3gpq s PRO 107 N 1.06 3.03 -0.62 3.50 0.04 -1.26 -0.46 135.00 140.30 3gpq s PRO 107 Ca -0.09 -0.35 -0.28 0.00 0.04 0.00 0.00 61.00 60.32 3gpq s PRO 107 Cb -0.14 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.93 3gpq s PRO 107 CO -0.01 -0.38 1.40 -0.51 0.04 0.00 0.00 177.00 177.54 3gpq s LEU 108 N -4.67 3.33 0.49 -3.56 1.43 -1.25 -4.92 118.68 109.53 3gpq s LEU 108 Ca 0.50 0.07 -0.24 0.00 -1.03 0.00 0.00 54.13 53.44 3gpq s LEU 108 Cb -0.10 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.16 3gpq s LEU 108 CO 0.40 -1.78 1.34 0.18 0.23 0.00 0.00 176.35 176.71 3gpq n LEU 109 N 9.70 4.93 -1.77 1.79 4.77 -1.26 -3.50 117.00 131.65 3gpq n LEU 109 Ca 0.10 1.04 -0.16 0.00 -0.03 0.00 0.00 56.01 56.96 3gpq n LEU 109 Cb 0.49 -1.55 -0.01 0.00 -2.33 0.00 0.00 43.42 40.02 3gpq n LEU 109 CO 0.71 -0.55 -0.20 -1.20 -1.33 0.00 0.00 177.39 174.82 3gpq n SER 110 N -0.44 -4.79 -0.15 -1.43 7.64 -1.26 -4.76 113.62 108.42 3gpq n SER 110 Ca 0.08 0.02 0.02 0.00 1.01 0.00 0.00 58.87 60.01 3gpq n SER 110 Cb 0.43 -3.89 0.01 0.00 -1.01 0.00 0.00 64.21 59.74 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 -3.87 0.00 0.00 0.44 -2.24 -1.23 -3.56 114.28 103.82 3gpq n THR 111 Ca -0.19 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3gpq n THR 111 Cb 0.63 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 0.52 0.56 0.00 3.38 0.00 -1.26 -4.69 105.19 103.69 3gpq n GLY 112 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3gpq n GLY 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3gpq n VAL 113 N 0.00 0.00 -0.18 1.61 3.14 -1.26 -3.23 118.33 118.41 3gpq n VAL 113 Ca 0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.42 3gpq n VAL 113 Cb 0.00 -0.55 0.11 0.00 -1.06 0.00 0.00 33.84 32.35 3gpq n VAL 113 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3gpq n TYR 114 N -0.91 0.35 -0.03 1.45 4.02 -1.26 -4.66 117.16 116.12 3gpq n TYR 114 Ca 0.14 -0.52 0.11 0.00 -0.01 0.00 0.00 57.90 57.61 3gpq n TYR 114 Cb 0.06 -0.05 0.24 0.00 -0.02 0.00 0.00 39.34 39.58 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 0.16 3.52 -2.99 7.72 3.41 -1.20 -0.63 113.62 123.60 3gpq n SER 115 Ca 0.09 -1.97 -0.16 0.00 -0.26 0.00 0.00 58.87 56.57 3gpq n SER 115 Cb 0.40 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.38 -0.49 2.01 5.00 0.00 -1.26 -1.68 105.19 110.15 3gpq n GLY 116 Ca 0.20 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.90 0.37 3.26 -0.02 0.00 -1.26 -4.81 105.19 101.82 3gpq n GLY 117 Ca -0.04 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 3gpq n GLY 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gpq s LYS 118 N -4.51 0.90 -0.47 1.61 2.20 -0.67 -5.13 119.74 113.67 3gpq s LYS 118 Ca 0.03 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.69 3gpq s LYS 118 Cb -0.01 0.38 0.03 0.00 -1.51 0.00 0.00 37.83 36.72 3gpq s LYS 118 CO 0.04 -0.31 1.13 0.34 -0.36 0.00 0.00 175.35 176.19 3gpq s ASP 119 N -2.47 6.65 -0.18 1.43 -1.08 -1.26 -4.79 116.67 114.97 3gpq s ASP 119 Ca -0.00 0.50 0.17 0.00 -0.52 0.00 0.00 52.55 52.69 3gpq s ASP 119 Cb 0.01 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.39 3gpq s ASP 119 CO -0.08 -1.23 1.35 0.54 0.52 0.00 0.00 175.17 176.28 3gpq n ARG 120 N 7.77 2.38 0.08 4.34 1.74 -1.26 -4.74 116.66 126.97 3gpq n ARG 120 Ca 0.12 -2.81 -0.15 0.00 -0.77 0.00 0.00 57.85 54.23 3gpq n ARG 120 Cb 0.49 -1.75 -0.09 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.25 -1.54 -0.43 0.55 6.46 -1.94 0.62 115.31 120.28 3gpq h LEU 121 Ca 0.02 0.17 0.06 0.00 -0.12 0.00 0.00 57.88 58.00 3gpq h LEU 121 Cb 1.34 0.58 -0.05 0.00 -0.73 0.00 0.00 40.66 41.80 3gpq h LEU 121 CO 0.18 -0.51 0.14 0.74 -0.62 0.00 0.00 178.44 178.37 3gpq h THR 122 N -0.67 0.85 -0.04 1.05 2.02 -1.99 0.25 112.91 114.38 3gpq h THR 122 Ca 0.00 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3gpq h THR 122 Cb 0.70 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3gpq h THR 122 CO -0.31 0.06 0.01 -0.61 0.37 0.00 0.00 175.52 175.03 3gpq h GLN 123 N 0.30 0.06 -0.07 6.66 4.15 -1.80 0.04 115.11 124.45 3gpq h GLN 123 Ca 0.20 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 3gpq h GLN 123 Cb 0.20 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 3gpq h GLN 123 CO -0.22 0.28 0.01 1.03 -1.93 0.00 0.00 178.83 178.01 3gpq h SER 124 N -0.16 0.11 -0.65 -0.69 0.87 0.41 -2.59 113.55 110.85 3gpq h SER 124 Ca 0.01 -0.25 0.11 0.00 -1.23 0.00 0.00 61.79 60.43 3gpq h SER 124 Cb 0.25 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.10 3gpq h SER 124 CO 0.00 0.33 0.23 0.25 -0.53 0.00 0.00 176.83 177.12 3gpq h LEU 125 N -0.12 0.21 -0.24 2.23 5.85 -0.52 0.12 115.31 122.85 3gpq h LEU 125 Ca 0.02 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3gpq h LEU 125 Cb 0.27 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3gpq h LEU 125 CO 0.00 0.11 -0.08 0.78 -0.34 0.00 0.00 178.44 178.92 3gpq h ASN 126 N 0.40 -0.27 0.13 1.25 2.35 -0.90 -0.70 115.58 117.83 3gpq h ASN 126 Ca 0.34 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 56.08 3gpq h ASN 126 Cb 0.45 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3gpq h ASN 126 CO -0.35 -0.10 -0.28 0.45 -1.65 0.00 0.00 177.43 175.50 3gpq h HIS 127 N -0.03 0.29 0.35 1.19 3.86 -1.08 -1.54 115.15 118.19 3gpq h HIS 127 Ca 0.12 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3gpq h HIS 127 Cb 0.21 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3gpq h HIS 127 CO -0.26 0.52 -0.17 1.25 0.86 0.00 0.00 177.93 180.14 3gpq h LEU 128 N 0.23 -0.39 -0.08 2.43 6.46 -0.43 -2.59 115.31 120.93 3gpq h LEU 128 Ca 0.03 -0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.78 3gpq h LEU 128 Cb 0.63 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 3gpq h LEU 128 CO 0.05 -0.19 -0.22 -0.26 -0.62 0.00 0.00 178.44 177.20 3gpq h PHE 129 N -0.58 -0.57 -0.77 1.25 0.04 -0.94 -1.42 116.94 113.95 3gpq h PHE 129 Ca -0.05 0.02 0.17 0.00 2.80 0.00 0.00 57.97 60.91 3gpq h PHE 129 Cb 0.43 0.26 -0.11 0.00 2.20 0.00 0.00 35.95 38.73 3gpq h PHE 129 CO -0.02 -0.30 0.24 1.15 -0.60 0.00 0.00 178.31 178.78 3gpq h THR 130 N -0.30 0.54 -0.02 -1.55 2.02 -1.25 -0.63 112.91 111.72 3gpq h THR 130 Ca 0.08 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3gpq h THR 130 Cb 0.42 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3gpq h THR 130 CO -0.25 0.06 -0.13 0.00 0.37 0.00 0.00 175.52 175.57 3gpq h ALA 131 N 1.62 0.05 0.00 6.16 0.00 -1.02 -3.34 119.26 122.72 3gpq h ALA 131 Ca 0.44 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3gpq h ALA 131 Cb 0.75 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3gpq h ALA 131 CO -0.49 -0.02 -0.55 0.52 0.00 0.00 0.00 179.25 178.70 3gpq h MET 132 N -0.48 0.00 -0.97 0.00 2.07 -0.97 -3.27 114.93 111.31 3gpq h MET 132 Ca -0.01 0.00 0.28 0.00 -2.07 0.00 0.00 59.70 57.90 3gpq h MET 132 Cb 0.80 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.49 3gpq h MET 132 CO 0.03 0.55 0.91 -0.44 1.07 0.00 0.00 176.91 179.03 3gpq h ASP 133 N 0.00 0.00 -0.93 1.22 5.19 -1.24 0.63 116.42 121.30 3gpq h ASP 133 Ca -0.01 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.81 3gpq h ASP 133 Cb 1.30 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.54 3gpq h ASP 133 CO 0.07 0.00 0.76 -1.54 -3.12 0.00 0.00 179.24 175.42 3gpq n SER 134 N -3.68 6.60 -3.73 6.45 3.41 -1.23 -4.87 113.62 116.55 3gpq n SER 134 Ca 0.21 -3.64 -0.19 0.00 -0.26 0.00 0.00 58.87 54.99 3gpq n SER 134 Cb 1.23 -0.95 -0.17 0.00 -0.26 0.00 0.00 64.21 64.06 3gpq n SER 134 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gpq s THR 135 N -4.12 0.03 -0.46 6.66 -4.23 0.22 -5.04 115.64 108.70 3gpq s THR 135 Ca 0.58 0.27 -0.06 0.00 -1.18 0.00 0.00 61.69 61.30 3gpq s THR 135 Cb 0.47 -0.22 -0.17 0.00 1.34 0.00 0.00 72.50 73.92 3gpq s THR 135 CO 0.02 0.17 3.32 -0.90 -0.54 0.00 0.00 174.62 176.68 3gpq n ASP 136 N 4.82 6.27 -3.85 3.99 5.75 -1.26 -4.82 116.55 127.46 3gpq n ASP 136 Ca -0.13 -2.63 -0.13 0.00 -0.01 0.00 0.00 54.79 51.88 3gpq n ASP 136 Cb 0.50 -1.42 -0.15 0.00 -1.03 0.00 0.00 41.12 39.02 3gpq n ASP 136 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gpq s ALA 137 N 0.76 0.05 0.19 2.12 0.00 -1.26 -4.92 121.76 118.69 3gpq s ALA 137 Ca 0.66 0.08 -0.32 0.00 0.00 0.00 0.00 51.96 52.38 3gpq s ALA 137 Cb 0.29 -0.08 -0.12 0.00 0.00 0.00 0.00 23.12 23.22 3gpq s ALA 137 CO -0.05 -0.03 1.75 -0.51 0.00 0.00 0.00 175.76 176.93 3gpq s ASP 138 N 0.32 6.38 -0.18 0.00 1.01 -0.57 -4.75 116.67 118.87 3gpq s ASP 138 Ca -0.03 2.85 -0.05 0.00 0.71 0.00 0.00 52.55 56.03 3gpq s ASP 138 Cb -0.04 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3gpq s ASP 138 CO -0.01 -0.98 0.00 -0.69 0.21 0.00 0.00 175.17 173.70 3gpq s VAL 139 N 1.56 4.14 -0.18 -1.27 1.01 -0.91 -4.37 120.40 120.37 3gpq s VAL 139 Ca 0.76 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3gpq s VAL 139 Cb -0.49 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.05 3gpq s VAL 139 CO 0.33 0.45 -0.19 -0.69 0.00 0.00 0.00 175.10 175.00 3gpq s VAL 140 N 0.66 2.16 -0.22 2.92 1.01 -1.26 -1.29 120.40 124.39 3gpq s VAL 140 Ca -0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 3gpq s VAL 140 Cb -0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3gpq s VAL 140 CO 0.02 0.53 0.32 -0.63 0.00 0.00 0.00 175.10 175.34 3gpq s ILE 141 N 1.23 5.25 -0.11 2.22 1.01 0.27 -1.52 121.20 129.54 3gpq s ILE 141 Ca 0.03 0.52 -0.03 0.00 0.00 0.00 0.00 60.65 61.17 3gpq s ILE 141 Cb -0.13 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3gpq s ILE 141 CO -0.11 0.27 0.02 -0.31 0.00 0.00 0.00 174.94 174.81 3gpq s TYR 142 N 1.34 3.19 -0.06 3.97 2.02 0.40 -1.14 117.35 127.07 3gpq s TYR 142 Ca 0.15 0.15 -0.31 0.00 -0.37 0.00 0.00 57.07 56.69 3gpq s TYR 142 Cb -0.15 -1.85 0.07 0.00 -0.40 0.00 0.00 41.96 39.63 3gpq s TYR 142 CO 0.07 0.40 0.69 0.00 -1.57 0.00 0.00 175.55 175.14 3gpq n ARG 144 N 0.95 1.41 -2.42 0.00 5.12 -1.26 -2.47 116.66 118.00 3gpq n ARG 144 Ca -0.19 -0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.28 3gpq n ARG 144 Cb 0.57 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.47 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 -4.57 7.01 0.08 0.55 3.68 -1.26 -4.91 116.67 117.25 3gpq s ASP 145 Ca -0.07 1.86 -0.33 0.00 2.13 0.00 0.00 52.55 56.15 3gpq s ASP 145 Cb 0.05 -2.56 -0.18 0.00 -1.45 0.00 0.00 42.92 38.79 3gpq s ASP 145 CO 0.60 -0.61 1.62 0.50 0.13 0.00 0.00 175.17 177.41 3gpq h LYS 146 N 7.54 -0.87 -1.23 4.34 3.64 -2.00 -2.12 116.57 125.87 3gpq h LYS 146 Ca -0.35 0.06 0.36 0.00 -1.27 0.00 0.00 60.65 59.45 3gpq h LYS 146 Cb 1.16 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 33.13 3gpq h LYS 146 CO 0.89 -0.58 0.88 0.93 -2.27 0.00 0.00 179.45 179.30 3gpq h GLU 147 N -0.91 0.02 0.19 1.90 4.39 -2.01 0.13 114.58 118.29 3gpq h GLU 147 Ca -0.08 -0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.31 3gpq h GLU 147 Cb 0.72 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.39 3gpq h GLU 147 CO 0.10 0.01 -1.35 -1.49 -1.16 0.00 0.00 179.01 175.12 3gpq h TRP 148 N 0.02 0.79 -0.95 4.33 4.06 -1.85 -3.13 115.95 119.22 3gpq h TRP 148 Ca 0.59 -0.56 0.09 0.00 2.06 0.00 0.00 58.89 61.07 3gpq h TRP 148 Cb 2.33 -0.04 -0.07 0.00 -1.00 0.00 0.00 29.16 30.38 3gpq h TRP 148 CO -0.00 1.43 0.59 1.49 -3.56 0.00 0.00 178.44 178.39 3gpq h GLU 149 N 0.14 0.98 0.71 0.49 4.81 -0.12 0.69 114.58 122.28 3gpq h GLU 149 Ca -0.20 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 3gpq h GLU 149 Cb 2.05 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 31.22 3gpq h GLU 149 CO 0.24 0.65 -0.34 -0.22 -0.73 0.00 0.00 179.01 178.61 3gpq h LYS 150 N 1.01 -0.91 -0.84 1.92 3.64 -1.47 -1.61 116.57 118.31 3gpq h LYS 150 Ca 0.44 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 60.03 3gpq h LYS 150 Cb 0.32 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 3gpq h LYS 150 CO -0.22 -0.61 0.42 0.87 -2.27 0.00 0.00 179.45 177.64 3gpq h LYS 151 N -1.06 0.58 -0.38 1.90 1.57 -1.43 0.10 116.57 117.85 3gpq h LYS 151 Ca -0.10 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3gpq h LYS 151 Cb 0.73 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 3gpq h LYS 151 CO 0.16 0.38 0.12 0.82 -0.57 0.00 0.00 179.45 180.36 3gpq h ILE 152 N 0.59 0.87 0.10 1.86 2.04 -0.87 -2.62 117.51 119.48 3gpq h ILE 152 Ca 0.46 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 66.24 3gpq h ILE 152 Cb 0.66 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3gpq h ILE 152 CO -0.37 0.05 -0.42 -1.28 0.00 0.00 0.00 178.15 176.13 3gpq h SER 153 N 0.26 -1.26 -0.73 1.72 0.87 0.21 -2.38 113.55 112.25 3gpq h SER 153 Ca 0.17 0.13 0.11 0.00 -1.23 0.00 0.00 61.79 60.98 3gpq h SER 153 Cb 0.17 0.46 -0.12 0.00 -0.44 0.00 0.00 62.40 62.47 3gpq h SER 153 CO -0.19 -0.44 -0.41 -0.33 -0.53 0.00 0.00 176.83 174.93 3gpq h GLU 154 N -0.60 -0.13 -0.22 2.24 5.08 -1.30 -0.06 114.58 119.59 3gpq h GLU 154 Ca -0.01 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3gpq h GLU 154 Cb 0.60 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3gpq h GLU 154 CO -0.23 -0.08 0.16 0.00 -1.00 0.00 0.00 179.01 177.86 3gpq h ALA 155 N 0.92 2.20 0.06 3.43 0.00 -1.38 -1.44 119.26 123.03 3gpq h ALA 155 Ca 0.24 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.90 3gpq h ALA 155 Cb 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3gpq h ALA 155 CO -0.79 -0.27 -1.11 0.82 0.00 0.00 0.00 179.25 177.90 3gpq h ILE 156 N 0.00 1.63 -0.17 0.00 2.04 -0.53 -3.19 117.51 117.29 3gpq h ILE 156 Ca 0.10 -3.27 0.00 0.00 1.00 0.00 0.00 64.86 62.69 3gpq h ILE 156 Cb 0.43 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3gpq h ILE 156 CO -0.00 0.94 0.00 0.00 0.00 0.00 0.00 178.15 179.09 3gpq n GLN 157 N -3.43 1.50 0.00 2.37 1.13 -0.41 -3.35 117.38 115.20 3gpq n GLN 157 Ca -0.04 -0.77 0.08 0.00 -1.94 0.00 0.00 57.00 54.34 3gpq n GLN 157 Cb 0.98 -1.26 0.06 0.00 0.11 0.00 0.00 30.24 30.12 3gpq n GLN 157 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 3gpq n MET 158 N 0.05 1.29 0.00 -1.09 1.56 -0.85 -5.05 117.12 113.03 3gpq n MET 158 Ca 0.11 -1.41 0.00 0.00 -0.27 0.00 0.00 57.70 56.13 3gpq n MET 158 Cb 0.21 -1.31 0.00 0.00 2.15 0.00 0.00 33.22 34.28 3gpq n MET 158 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13