#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpx s LYS 2 N 0.00 4.00 -0.09 1.43 2.20 -1.26 -1.90 119.74 124.11 1gpx s LYS 2 Ca 0.00 0.93 -0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1gpx s LYS 2 Cb 0.00 -3.76 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1gpx s LYS 2 CO 0.00 -0.93 -0.06 0.08 -0.36 0.00 0.00 175.35 174.09 1gpx s VAL 3 N 3.64 3.79 -0.06 4.02 1.01 0.12 -1.00 120.40 131.92 1gpx s VAL 3 Ca 0.44 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1gpx s VAL 3 Cb -0.12 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1gpx s VAL 3 CO 0.17 0.57 -0.07 -0.69 0.00 0.00 0.00 175.10 175.08 1gpx s VAL 4 N -0.51 0.79 0.02 2.92 1.01 -0.19 0.32 120.40 124.76 1gpx s VAL 4 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1gpx s VAL 4 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1gpx s VAL 4 CO 0.02 0.28 0.08 -0.31 0.00 0.00 0.00 175.10 175.18 1gpx s TYR 5 N 0.93 3.25 -0.07 5.22 2.02 0.95 0.10 117.35 129.75 1gpx s TYR 5 Ca -0.11 0.16 0.05 0.00 -0.37 0.00 0.00 57.07 56.81 1gpx s TYR 5 Cb -0.15 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1gpx s TYR 5 CO 0.01 0.54 -0.23 0.08 -1.57 0.00 0.00 175.55 174.37 1gpx s VAL 6 N -1.26 1.93 0.00 0.71 1.01 -0.90 0.26 120.40 122.15 1gpx s VAL 6 Ca 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1gpx s VAL 6 Cb -0.12 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1gpx s VAL 6 CO 0.17 0.54 0.00 -1.54 0.00 0.00 0.00 175.10 174.26 1gpx n SER 7 N 3.18 0.00 -0.00 3.32 3.41 0.56 0.31 113.62 124.40 1gpx n SER 7 Ca -0.18 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.48 1gpx n SER 7 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1gpx n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpx n HIS 8 N -0.01 0.00 0.48 7.33 1.44 -1.25 -3.78 115.22 119.44 1gpx n HIS 8 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1gpx n HIS 8 Cb 0.00 -0.02 0.18 0.00 0.12 0.00 0.00 29.99 30.27 1gpx n HIS 8 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1gpx n ASP 9 N -1.29 3.31 0.00 4.39 5.75 -1.26 -4.95 116.55 122.50 1gpx n ASP 9 Ca 0.02 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1gpx n ASP 9 Cb 0.17 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1gpx n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gpx n GLY 10 N 1.43 2.97 3.59 6.12 0.00 -1.26 -5.06 105.19 112.98 1gpx n GLY 10 Ca 0.18 -0.95 -0.46 0.00 0.00 0.00 0.00 46.02 44.79 1gpx n GLY 10 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1gpx n THR 11 N 0.00 1.63 -4.33 2.61 5.66 -1.26 -4.44 114.28 114.14 1gpx n THR 11 Ca 0.00 -0.41 -0.17 0.00 -3.05 0.00 0.00 64.05 60.42 1gpx n THR 11 Cb 0.00 -0.98 -0.10 0.00 -1.55 0.00 0.00 70.33 67.70 1gpx n THR 11 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1gpx s ARG 12 N -1.15 1.32 0.20 1.09 0.52 -1.25 0.21 118.95 119.88 1gpx s ARG 12 Ca 0.63 -1.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.26 1gpx s ARG 12 Cb -0.74 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 33.97 1gpx s ARG 12 CO 0.57 -0.03 -0.11 0.50 0.02 0.00 0.00 175.30 176.25 1gpx s ARG 13 N -3.81 1.28 -0.01 3.54 3.52 0.74 -4.86 118.95 119.34 1gpx s ARG 13 Ca 0.26 -1.58 0.03 0.00 -0.13 0.00 0.00 55.73 54.31 1gpx s ARG 13 Cb 0.05 -0.95 -0.01 0.00 -1.56 0.00 0.00 34.95 32.48 1gpx s ARG 13 CO 0.08 0.11 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.36 1gpx s GLU 14 N -3.70 0.95 0.04 5.12 8.01 -1.26 0.32 118.70 128.18 1gpx s GLU 14 Ca 0.22 -0.41 0.06 0.00 0.01 0.00 0.00 54.97 54.85 1gpx s GLU 14 Cb 0.01 -0.92 -0.02 0.00 -4.31 0.00 0.00 34.13 28.89 1gpx s GLU 14 CO 0.06 0.24 -0.16 -0.51 0.01 0.00 0.00 175.26 174.89 1gpx s LEU 15 N -0.23 2.16 -0.91 1.80 1.43 0.96 -4.93 118.68 118.94 1gpx s LEU 15 Ca 0.04 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1gpx s LEU 15 Cb -0.05 -0.74 0.23 0.00 0.03 0.00 0.00 46.19 45.66 1gpx s LEU 15 CO -0.00 0.09 0.84 -1.81 0.23 0.00 0.00 176.35 175.69 1gpx s ASP 16 N -1.07 6.50 0.49 2.29 1.01 -1.26 0.10 116.67 124.73 1gpx s ASP 16 Ca 0.04 -3.31 0.07 0.00 0.71 0.00 0.00 52.55 50.06 1gpx s ASP 16 Cb -0.08 -2.07 0.04 0.00 1.01 0.00 0.00 42.92 41.82 1gpx s ASP 16 CO 0.01 -0.34 0.67 -0.69 0.21 0.00 0.00 175.17 175.04 1gpx s VAL 17 N -0.78 2.71 0.00 -1.27 1.01 -0.80 -4.90 120.40 116.37 1gpx s VAL 17 Ca 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1gpx s VAL 17 Cb -0.11 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1gpx s VAL 17 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.01 1gpx n ALA 18 N -2.06 0.00 -2.68 5.51 0.00 -1.26 0.25 120.51 120.27 1gpx n ALA 18 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.14 1gpx n ALA 18 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 1gpx n ALA 18 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1gpx s ASP 19 N 1.00 6.84 0.00 0.00 -4.77 -1.21 -3.65 116.67 114.89 1gpx s ASP 19 Ca 0.00 1.02 0.00 0.00 -3.30 0.00 0.00 52.55 50.27 1gpx s ASP 19 Cb 0.00 -2.39 0.00 0.00 -1.09 0.00 0.00 42.92 39.44 1gpx s ASP 19 CO 0.00 -0.25 0.00 0.61 0.70 0.00 0.00 175.17 176.23 1gpx n GLY 20 N 3.49 0.75 3.97 2.12 0.00 -1.16 -5.02 105.19 109.35 1gpx n GLY 20 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1gpx n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpx s VAL 21 N -2.00 2.68 0.00 1.61 1.01 -1.24 -4.89 120.40 117.56 1gpx s VAL 21 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1gpx s VAL 21 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1gpx s VAL 21 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 175.10 173.90 1gpx n SER 22 N -1.84 1.85 0.05 3.32 7.64 -1.26 0.26 113.62 123.64 1gpx n SER 22 Ca 0.08 -0.97 0.12 0.00 1.01 0.00 0.00 58.87 59.11 1gpx n SER 22 Cb 0.60 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 64.01 1gpx n SER 22 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1gpx n LEU 23 N 0.00 0.65 -0.03 -3.43 4.77 -1.17 -4.27 117.00 113.53 1gpx n LEU 23 Ca 0.00 0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1gpx n LEU 23 Cb 0.00 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1gpx n LEU 23 CO 0.00 -0.03 -0.15 0.80 -1.33 0.00 0.00 177.39 176.67 1gpx n MET 24 N -2.01 0.19 -0.33 3.23 1.56 -0.45 -3.06 117.12 116.24 1gpx n MET 24 Ca 0.04 0.34 0.34 0.00 -0.27 0.00 0.00 57.70 58.15 1gpx n MET 24 Cb 0.42 -1.12 0.52 0.00 2.15 0.00 0.00 33.22 35.19 1gpx n MET 24 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1gpx n GLN 25 N -3.24 0.01 -0.03 2.12 0.00 -1.26 0.26 117.38 115.24 1gpx n GLN 25 Ca -0.03 1.00 -0.15 0.00 -0.00 0.00 0.00 57.00 57.83 1gpx n GLN 25 Cb 0.12 -2.45 -0.14 0.00 0.00 0.00 0.00 30.24 27.77 1gpx n GLN 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gpx n ALA 26 N -2.39 1.26 0.05 1.69 0.00 -1.26 -3.74 120.51 116.12 1gpx n ALA 26 Ca 0.28 -0.80 -0.20 0.00 0.00 0.00 0.00 53.44 52.72 1gpx n ALA 26 Cb 1.61 -0.63 -0.12 0.00 0.00 0.00 0.00 19.45 20.30 1gpx n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gpx h ALA 27 N 0.54 0.02 0.51 0.00 0.00 0.36 -2.22 119.26 118.48 1gpx h ALA 27 Ca -0.40 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 53.80 1gpx h ALA 27 Cb 2.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 1gpx h ALA 27 CO 0.06 0.55 -0.49 0.28 0.00 0.00 0.00 179.25 179.65 1gpx h VAL 28 N 0.10 0.00 -0.98 0.00 2.07 0.34 0.79 116.25 118.57 1gpx h VAL 28 Ca -0.14 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.57 1gpx h VAL 28 Cb 1.68 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.35 1gpx h VAL 28 CO 0.19 0.00 0.62 0.28 0.02 0.00 0.00 177.57 178.67 1gpx h SER 29 N -1.00 0.66 0.00 0.57 0.02 -1.68 2.37 113.55 114.50 1gpx h SER 29 Ca -0.06 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1gpx h SER 29 Cb 0.86 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1gpx h SER 29 CO -0.05 0.24 0.00 0.59 -1.14 0.00 0.00 176.83 176.47 1gpx n ASN 30 N -4.68 0.00 0.00 3.07 3.02 0.15 -4.79 115.26 112.03 1gpx n ASN 30 Ca 0.22 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1gpx n ASN 30 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1gpx n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gpx n GLY 31 N 0.04 2.78 0.33 7.41 0.00 0.80 -4.85 105.19 111.69 1gpx n GLY 31 Ca 0.11 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.36 1gpx n GLY 31 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1gpx h ILE 32 N 0.00 0.09 -0.91 -0.61 2.04 0.35 -3.35 117.51 115.13 1gpx h ILE 32 Ca 0.00 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1gpx h ILE 32 Cb 0.00 0.01 -0.21 0.00 -0.74 0.00 0.00 36.82 35.88 1gpx h ILE 32 CO 0.00 0.01 -0.32 -0.72 0.00 0.00 0.00 178.15 177.12 1gpx s TYR 33 N -5.74 -1.68 -0.33 1.37 -0.85 -1.23 -4.91 117.35 103.99 1gpx s TYR 33 Ca -0.11 1.07 -0.04 0.00 -0.52 0.00 0.00 57.07 57.48 1gpx s TYR 33 Cb 0.31 0.32 -0.11 0.00 0.38 0.00 0.00 41.96 42.87 1gpx s TYR 33 CO 0.78 -0.97 2.12 -0.40 -1.52 0.00 0.00 175.55 175.56 1gpx n ASP 34 N 5.39 3.52 -4.18 -0.18 5.68 -1.26 -4.11 116.55 121.42 1gpx n ASP 34 Ca 0.05 -2.13 -0.40 0.00 -0.50 0.00 0.00 54.79 51.80 1gpx n ASP 34 Cb 0.54 -0.88 -0.06 0.00 -1.14 0.00 0.00 41.12 39.58 1gpx n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1gpx s ILE 35 N 2.53 4.55 -0.23 2.12 2.07 -1.26 -4.86 121.20 126.12 1gpx s ILE 35 Ca 0.36 -3.05 0.10 0.00 -1.41 0.00 0.00 60.65 56.65 1gpx s ILE 35 Cb 0.14 -3.86 0.43 0.00 0.13 0.00 0.00 42.46 39.30 1gpx s ILE 35 CO -0.01 -0.99 1.21 1.33 -1.91 0.00 0.00 174.94 174.57 1gpx n VAL 36 N 3.31 2.25 -0.05 4.00 0.24 -1.26 -3.74 118.33 123.08 1gpx n VAL 36 Ca 0.14 -3.45 -0.11 0.00 -2.04 0.00 0.00 64.34 58.88 1gpx n VAL 36 Cb 0.40 -0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 32.30 1gpx n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gpx n GLY 37 N -1.00 -0.16 0.14 7.63 0.00 -1.26 -4.08 105.19 106.46 1gpx n GLY 37 Ca 0.25 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1gpx n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gpx h ASP 38 N -0.32 0.72 0.00 1.61 1.82 -1.85 -3.41 116.42 114.99 1gpx h ASP 38 Ca -0.26 -0.92 -0.21 0.00 -0.39 0.00 0.00 57.03 55.25 1gpx h ASP 38 Cb 1.25 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.99 1gpx h ASP 38 CO -0.14 1.59 -1.71 0.00 -1.61 0.00 0.00 179.24 177.37 1gpx n GLY 40 N 2.34 -0.46 1.98 0.00 0.00 -1.25 0.27 105.19 108.08 1gpx n GLY 40 Ca -0.24 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1gpx n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gpx n GLY 41 N -1.06 0.38 0.00 -0.02 0.00 -1.26 -4.92 105.19 98.32 1gpx n GLY 41 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1gpx n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gpx n SER 42 N 1.98 1.40 -1.73 1.61 7.64 0.77 -5.04 113.62 120.25 1gpx n SER 42 Ca 0.00 -0.24 -0.04 0.00 1.01 0.00 0.00 58.87 59.60 1gpx n SER 42 Cb 0.42 0.76 0.02 0.00 -1.01 0.00 0.00 64.21 64.40 1gpx n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gpx n ALA 43 N -0.90 -0.72 -2.41 -0.43 0.00 -1.22 -4.98 120.51 109.85 1gpx n ALA 43 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 1gpx n ALA 43 Cb 0.00 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.16 1gpx n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gpx n SER 44 N -1.70 2.43 -4.67 0.00 2.88 -1.21 -4.76 113.62 106.59 1gpx n SER 44 Ca -0.04 -2.71 -0.25 0.00 -1.33 0.00 0.00 58.87 54.54 1gpx n SER 44 Cb 0.53 -0.42 -0.07 0.00 -0.75 0.00 0.00 64.21 63.50 1gpx n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gpx n ALA 46 N -0.50 3.10 0.04 0.00 0.00 -1.26 -4.24 120.51 117.66 1gpx n ALA 46 Ca -0.08 -0.24 0.05 0.00 0.00 0.00 0.00 53.44 53.17 1gpx n ALA 46 Cb 0.57 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 1gpx n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1gpx n THR 47 N -1.22 0.00 0.97 0.00 5.66 -1.26 -4.06 114.28 114.37 1gpx n THR 47 Ca 0.02 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1gpx n THR 47 Cb 0.14 0.34 0.01 0.00 -1.55 0.00 0.00 70.33 69.26 1gpx n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gpx n HIS 49 N 0.03 0.97 -3.93 0.00 -0.00 -1.26 0.27 115.22 111.29 1gpx n HIS 49 Ca 0.01 0.75 -0.09 0.00 0.46 0.00 0.00 57.72 58.84 1gpx n HIS 49 Cb 0.27 -2.20 -0.09 0.00 -0.12 0.00 0.00 29.99 27.85 1gpx n HIS 49 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1gpx s VAL 50 N -1.03 0.14 -0.19 3.57 -7.23 0.60 -4.02 120.40 112.24 1gpx s VAL 50 Ca 0.60 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.60 1gpx s VAL 50 Cb -0.74 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.19 1gpx s VAL 50 CO 0.59 -0.65 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.24 1gpx s TYR 51 N -2.94 2.83 0.10 2.82 2.02 0.85 -1.37 117.35 121.67 1gpx s TYR 51 Ca -0.02 -1.70 0.01 0.00 -0.37 0.00 0.00 57.07 54.99 1gpx s TYR 51 Cb 0.01 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1gpx s TYR 51 CO -0.06 -0.81 0.22 0.08 -1.57 0.00 0.00 175.55 173.41 1gpx s VAL 52 N 1.28 5.24 0.08 0.71 1.01 -1.26 0.29 120.40 127.75 1gpx s VAL 52 Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1gpx s VAL 52 Cb -0.14 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1gpx s VAL 52 CO -0.12 0.04 1.19 0.54 0.00 0.00 0.00 175.10 176.75 1gpx s ASN 53 N -2.79 7.10 0.49 3.32 6.03 0.22 -4.71 114.94 124.61 1gpx s ASN 53 Ca 0.34 2.03 0.34 0.00 -1.03 0.00 0.00 52.86 54.54 1gpx s ASN 53 Cb -0.12 -2.58 1.16 0.00 -3.03 0.00 0.00 41.25 36.68 1gpx s ASN 53 CO 0.27 -0.44 1.22 -1.84 -2.03 0.00 0.00 177.10 174.29 1gpx n GLU 54 N 3.67 0.01 0.32 3.55 -0.00 -1.26 0.13 120.64 127.06 1gpx n GLU 54 Ca 0.08 0.89 0.21 0.00 -0.00 0.00 0.00 57.16 58.34 1gpx n GLU 54 Cb 0.46 -2.12 1.10 0.00 -0.00 0.00 0.00 31.44 30.88 1gpx n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1gpx h ALA 55 N 0.66 1.00 0.00 -1.84 0.00 -1.96 -2.98 119.26 114.14 1gpx h ALA 55 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1gpx h ALA 55 Cb 2.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.68 1gpx h ALA 55 CO -0.01 0.00 -0.08 1.19 0.00 0.00 0.00 179.25 180.35 1gpx n PHE 56 N -3.05 0.00 0.38 0.00 3.01 0.35 -4.59 117.46 113.55 1gpx n PHE 56 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 1gpx n PHE 56 Cb 0.12 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 39.83 1gpx n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1gpx h THR 57 N 0.00 0.00 0.01 4.37 1.35 -1.35 -3.27 112.91 114.02 1gpx h THR 57 Ca 0.00 -0.79 -0.29 0.00 -0.55 0.00 0.00 66.41 64.78 1gpx h THR 57 Cb 0.00 1.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.10 1gpx h THR 57 CO 0.00 0.00 -1.70 -2.24 -0.25 0.00 0.00 175.52 171.33 1gpx h ASP 58 N 0.00 0.04 -0.10 5.36 2.03 -1.79 -3.32 116.42 118.64 1gpx h ASP 58 Ca 0.00 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 1gpx h ASP 58 Cb 0.89 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1gpx h ASP 58 CO 0.00 1.07 0.00 0.29 -1.03 0.00 0.00 179.24 179.57 1gpx n LYS 59 N -3.10 1.31 -4.36 4.15 4.76 -1.23 -4.82 118.16 114.87 1gpx n LYS 59 Ca -0.17 -0.39 -0.26 0.00 -2.87 0.00 0.00 58.31 54.61 1gpx n LYS 59 Cb 1.05 -1.19 -0.10 0.00 -1.84 0.00 0.00 35.03 32.95 1gpx n LYS 59 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1gpx s VAL 60 N -1.74 2.85 0.79 -0.18 -7.23 -1.24 -4.97 120.40 108.68 1gpx s VAL 60 Ca 0.07 -1.89 -0.13 0.00 -1.81 0.00 0.00 61.98 58.22 1gpx s VAL 60 Cb 0.04 -2.42 0.07 0.00 0.56 0.00 0.00 36.38 34.64 1gpx s VAL 60 CO 0.04 -0.17 1.17 -2.16 -0.31 0.00 0.00 175.10 173.68 1gpx s PRO 61 N -2.92 1.81 -0.05 4.82 0.04 -1.26 -4.96 135.00 132.47 1gpx s PRO 61 Ca 0.25 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 1gpx s PRO 61 Cb -0.08 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1gpx s PRO 61 CO 0.14 -2.05 0.94 0.00 0.04 0.00 0.00 177.00 176.07 1gpx s ALA 62 N -2.32 3.28 0.69 8.56 0.00 -1.26 -5.03 121.76 125.68 1gpx s ALA 62 Ca 0.70 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.92 1gpx s ALA 62 Cb -0.25 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1gpx s ALA 62 CO 0.50 -0.36 1.11 0.00 0.00 0.00 0.00 175.76 177.01 1gpx s ALA 63 N 1.38 2.39 0.14 0.00 0.00 -1.26 -5.05 121.76 119.36 1gpx s ALA 63 Ca 0.48 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1gpx s ALA 63 Cb -0.19 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1gpx s ALA 63 CO 0.22 -1.43 0.19 0.27 0.00 0.00 0.00 175.76 175.01 1gpx n ASN 64 N -2.72 0.56 0.22 0.00 0.23 -1.26 -4.88 115.26 107.42 1gpx n ASN 64 Ca 0.10 -1.38 0.12 0.00 -0.53 0.00 0.00 54.58 52.90 1gpx n ASN 64 Cb 0.52 -0.10 0.46 0.00 -2.08 0.00 0.00 39.78 38.58 1gpx n ASN 64 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1gpx h GLU 65 N 0.00 0.00 0.73 -3.83 4.11 -2.01 -0.57 114.58 113.01 1gpx h GLU 65 Ca -0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 1gpx h GLU 65 Cb 0.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1gpx h GLU 65 CO 0.10 0.00 -0.35 -0.09 0.07 0.00 0.00 179.01 178.73 1gpx h ARG 66 N 0.00 -0.95 -0.02 1.06 2.43 -1.95 -2.64 114.38 112.32 1gpx h ARG 66 Ca 0.10 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1gpx h ARG 66 Cb 1.53 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1gpx h ARG 66 CO -0.00 -0.61 0.00 -1.91 -1.51 0.00 0.00 179.97 175.93 1gpx n GLU 67 N -5.45 0.28 -0.01 0.20 2.13 -0.22 -3.12 120.64 114.44 1gpx n GLU 67 Ca -0.13 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.48 1gpx n GLU 67 Cb 0.40 -1.01 -0.14 0.00 0.27 0.00 0.00 31.44 30.96 1gpx n GLU 67 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1gpx n ILE 68 N -0.44 1.74 -0.08 6.31 -0.00 -0.99 -3.77 119.36 122.14 1gpx n ILE 68 Ca 0.00 -0.61 -0.08 0.00 -0.00 0.00 0.00 62.75 62.06 1gpx n ILE 68 Cb 0.00 -1.73 -0.04 0.00 -0.00 0.00 0.00 39.64 37.88 1gpx n ILE 68 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1gpx n GLY 69 N 1.98 -0.93 0.31 7.39 0.00 -1.18 -2.47 105.19 110.29 1gpx n GLY 69 Ca -0.33 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1gpx n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpx h MET 70 N -1.00 0.38 -0.11 1.61 -0.00 -1.78 1.59 114.93 115.61 1gpx h MET 70 Ca -0.07 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.70 59.48 1gpx h MET 70 Cb 0.67 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.18 1gpx h MET 70 CO -0.04 0.25 -0.49 1.25 -0.00 0.00 0.00 176.91 177.87 1gpx h LEU 71 N 0.39 0.32 -1.20 -0.10 6.46 -1.73 -2.53 115.31 116.92 1gpx h LEU 71 Ca 0.54 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1gpx h LEU 71 Cb 1.01 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1gpx h LEU 71 CO -0.53 0.76 0.00 1.21 -0.62 0.00 0.00 178.44 179.27 1gpx n GLU 72 N -3.96 1.79 -0.09 1.25 2.13 0.30 -4.37 120.64 117.69 1gpx n GLU 72 Ca -0.02 -1.19 -0.09 0.00 0.66 0.00 0.00 57.16 56.53 1gpx n GLU 72 Cb 0.54 -1.42 -0.02 0.00 0.27 0.00 0.00 31.44 30.81 1gpx n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gpx s VAL 74 N -5.99 4.62 -0.82 0.00 -7.23 -1.26 -4.95 120.40 104.77 1gpx s VAL 74 Ca -0.15 -0.08 -0.25 0.00 -1.81 0.00 0.00 61.98 59.69 1gpx s VAL 74 Cb 0.12 -4.42 -0.19 0.00 0.56 0.00 0.00 36.38 32.46 1gpx s VAL 74 CO 0.67 -0.96 2.49 1.07 -0.31 0.00 0.00 175.10 178.06 1gpx n THR 75 N 5.92 -0.03 -2.62 5.32 5.66 -1.24 -4.74 114.28 122.55 1gpx n THR 75 Ca -0.02 -0.39 -0.18 0.00 -3.05 0.00 0.00 64.05 60.41 1gpx n THR 75 Cb 0.46 -1.30 0.01 0.00 -1.55 0.00 0.00 70.33 67.95 1gpx n THR 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gpx n ALA 76 N 12.36 4.15 -4.08 1.79 0.00 -1.26 -4.59 120.51 128.88 1gpx n ALA 76 Ca 0.55 -3.75 -0.46 0.00 0.00 0.00 0.00 53.44 49.78 1gpx n ALA 76 Cb 0.26 -0.75 0.02 0.00 0.00 0.00 0.00 19.45 18.97 1gpx n ALA 76 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gpx n GLU 77 N -0.24 -0.25 -0.66 0.00 0.28 -1.26 -4.69 120.64 113.82 1gpx n GLU 77 Ca 0.24 0.07 -0.22 0.00 -0.16 0.00 0.00 57.16 57.09 1gpx n GLU 77 Cb 0.72 -2.37 -0.01 0.00 1.43 0.00 0.00 31.44 31.22 1gpx n GLU 77 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1gpx n LEU 78 N -4.94 -1.12 -4.62 -1.84 7.94 -1.26 -4.96 117.00 106.20 1gpx n LEU 78 Ca -0.12 0.46 -0.28 0.00 -1.11 0.00 0.00 56.01 54.96 1gpx n LEU 78 Cb 0.56 -0.45 -0.11 0.00 0.53 0.00 0.00 43.42 43.95 1gpx n LEU 78 CO 0.73 -1.85 -0.29 -0.54 -1.11 0.00 0.00 177.39 174.34 1gpx s LYS 79 N -0.49 1.96 0.32 1.96 1.02 -1.26 -5.00 119.74 118.24 1gpx s LYS 79 Ca 0.30 -2.12 0.10 0.00 0.02 0.00 0.00 55.97 54.27 1gpx s LYS 79 Cb -0.37 -1.57 0.53 0.00 -0.52 0.00 0.00 37.83 35.89 1gpx s LYS 79 CO 0.30 -0.09 1.72 -1.00 -0.92 0.00 0.00 175.35 175.36 1gpx h PRO 80 N 1.76 0.07 -0.01 -1.68 0.13 -2.02 -2.89 132.00 127.36 1gpx h PRO 80 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1gpx h PRO 80 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1gpx h PRO 80 CO 0.80 0.52 -0.55 0.27 -0.23 0.00 0.00 178.00 178.80 1gpx n ASN 81 N -3.98 1.49 -4.25 1.44 6.94 -1.26 -4.98 115.26 110.66 1gpx n ASN 81 Ca -0.02 -1.19 -0.34 0.00 -0.02 0.00 0.00 54.58 53.02 1gpx n ASN 81 Cb 0.50 0.51 0.12 0.00 -2.36 0.00 0.00 39.78 38.55 1gpx n ASN 81 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1gpx n SER 82 N -0.58 -2.79 -3.62 0.53 7.64 -1.09 -4.27 113.62 109.43 1gpx n SER 82 Ca 0.08 0.07 -0.00 0.00 1.01 0.00 0.00 58.87 60.03 1gpx n SER 82 Cb 0.40 -0.95 -0.01 0.00 -1.01 0.00 0.00 64.21 62.65 1gpx n SER 82 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1gpx s ARG 83 N -3.14 0.39 -0.02 1.43 6.06 -0.47 -4.93 118.95 118.28 1gpx s ARG 83 Ca 0.52 -0.20 -0.11 0.00 -2.50 0.00 0.00 55.73 53.43 1gpx s ARG 83 Cb -0.12 0.14 -0.05 0.00 0.06 0.00 0.00 34.95 34.98 1gpx s ARG 83 CO 0.68 -0.18 0.32 -1.17 -2.50 0.00 0.00 175.30 172.46 1gpx s LEU 84 N -2.78 4.42 0.58 -0.88 0.20 -1.26 0.22 118.68 119.19 1gpx s LEU 84 Ca 0.13 0.76 0.37 0.00 0.69 0.00 0.00 54.13 56.08 1gpx s LEU 84 Cb 0.03 -2.53 1.34 0.00 -0.43 0.00 0.00 46.19 44.60 1gpx s LEU 84 CO -0.04 0.31 1.49 0.28 -0.29 0.00 0.00 176.35 178.11 1gpx h SER 85 N 4.53 0.00 -1.24 3.68 0.02 0.35 0.46 113.55 121.35 1gpx h SER 85 Ca -0.52 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.78 1gpx h SER 85 Cb 1.22 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.41 1gpx h SER 85 CO 0.62 0.00 0.23 0.00 -1.14 0.00 0.00 176.83 176.54 1gpx n GLN 87 N -0.71 1.72 -3.48 0.00 1.13 0.16 -3.38 117.38 112.82 1gpx n GLN 87 Ca 0.52 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 55.27 1gpx n GLN 87 Cb 0.65 -0.85 -0.05 0.00 0.11 0.00 0.00 30.24 30.10 1gpx n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gpx s ILE 88 N -1.70 4.99 0.21 5.09 1.01 -1.26 -4.98 121.20 124.56 1gpx s ILE 88 Ca 0.00 0.36 0.08 0.00 0.00 0.00 0.00 60.65 61.09 1gpx s ILE 88 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1gpx s ILE 88 CO 0.00 -0.04 0.03 -0.63 0.00 0.00 0.00 174.94 174.30 1gpx s ILE 89 N -1.78 3.81 -0.30 2.92 -1.09 -1.26 -3.01 121.20 120.49 1gpx s ILE 89 Ca 0.46 -1.52 -0.06 0.00 -2.23 0.00 0.00 60.65 57.30 1gpx s ILE 89 Cb -0.11 -2.97 0.02 0.00 -1.58 0.00 0.00 42.46 37.82 1gpx s ILE 89 CO 0.22 -0.21 0.06 -0.32 -1.23 0.00 0.00 174.94 173.46 1gpx s MET 90 N -3.25 2.91 0.44 2.79 1.75 0.72 -4.87 119.30 119.79 1gpx s MET 90 Ca 0.29 -0.97 0.08 0.00 -1.25 0.00 0.00 55.69 53.84 1gpx s MET 90 Cb -0.08 -3.32 -0.01 0.00 2.84 0.00 0.00 34.83 34.26 1gpx s MET 90 CO 0.20 -0.50 0.41 0.95 -0.65 0.00 0.00 175.02 175.44 1gpx s THR 91 N 1.44 2.53 -1.84 10.11 -4.23 -1.26 -3.00 115.64 119.39 1gpx s THR 91 Ca 0.01 -1.33 0.20 0.00 -1.18 0.00 0.00 61.69 59.40 1gpx s THR 91 Cb -0.18 -2.86 0.51 0.00 1.34 0.00 0.00 72.50 71.32 1gpx s THR 91 CO 0.01 0.00 1.61 -0.81 -0.54 0.00 0.00 174.62 174.89 1gpx n PRO 92 N -1.62 0.54 -0.05 3.99 -0.04 -1.26 -2.92 135.00 133.63 1gpx n PRO 92 Ca 0.04 0.03 -0.05 0.00 -0.04 0.00 0.00 63.50 63.48 1gpx n PRO 92 Cb 0.62 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 1gpx n PRO 92 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1gpx n GLU 93 N -1.08 2.24 -1.83 0.54 0.28 -1.26 -4.63 120.64 114.91 1gpx n GLU 93 Ca 0.14 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.79 1gpx n GLU 93 Cb 0.09 -1.26 -0.01 0.00 1.43 0.00 0.00 31.44 31.70 1gpx n GLU 93 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1gpx n LEU 94 N -2.40 7.14 -4.89 -1.84 4.77 -1.15 -4.96 117.00 113.67 1gpx n LEU 94 Ca -0.17 -4.57 -0.34 0.00 -0.03 0.00 0.00 56.01 50.91 1gpx n LEU 94 Cb 0.82 -1.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 1gpx n LEU 94 CO 0.21 1.84 -0.17 1.51 -1.33 0.00 0.00 177.39 179.44 1gpx s ASP 95 N -0.22 6.30 0.00 -1.43 -4.77 -1.26 -4.32 116.67 110.97 1gpx s ASP 95 Ca 0.54 0.33 0.00 0.00 -3.30 0.00 0.00 52.55 50.12 1gpx s ASP 95 Cb 0.34 -1.97 0.00 0.00 -1.09 0.00 0.00 42.92 40.20 1gpx s ASP 95 CO -0.24 0.27 0.00 0.61 0.70 0.00 0.00 175.17 176.51 1gpx n GLY 96 N 1.04 1.29 3.71 2.12 0.00 -0.17 -4.76 105.19 108.43 1gpx n GLY 96 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1gpx n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gpx s ILE 97 N -2.00 3.56 -0.24 -0.61 1.10 -0.68 -4.91 121.20 117.42 1gpx s ILE 97 Ca 0.00 1.12 -0.08 0.00 -0.51 0.00 0.00 60.65 61.18 1gpx s ILE 97 Cb 0.00 -3.72 -0.04 0.00 0.15 0.00 0.00 42.46 38.85 1gpx s ILE 97 CO 0.00 0.09 0.10 -0.69 -2.11 0.00 0.00 174.94 172.33 1gpx s VAL 98 N 1.08 4.72 0.28 4.00 1.01 -1.26 -1.02 120.40 129.21 1gpx s VAL 98 Ca 0.62 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1gpx s VAL 98 Cb -0.34 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 32.88 1gpx s VAL 98 CO 0.30 0.35 0.31 0.52 0.00 0.00 0.00 175.10 176.58 1gpx n VAL 99 N 4.59 0.00 -3.63 2.92 0.31 0.28 -0.61 118.33 122.20 1gpx n VAL 99 Ca -0.16 -0.99 -0.13 0.00 -0.01 0.00 0.00 64.34 63.05 1gpx n VAL 99 Cb 0.52 -0.56 -0.07 0.00 -0.91 0.00 0.00 33.84 32.81 1gpx n VAL 99 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1gpx s ASP 100 N -2.68 -0.69 -0.52 4.52 1.01 0.85 -2.12 116.67 117.05 1gpx s ASP 100 Ca 0.24 1.33 -0.17 0.00 0.71 0.00 0.00 52.55 54.66 1gpx s ASP 100 Cb -0.02 1.35 0.09 0.00 1.01 0.00 0.00 42.92 45.35 1gpx s ASP 100 CO 0.15 -0.23 0.51 -0.69 0.21 0.00 0.00 175.17 175.13 1gpx s VAL 101 N 0.37 5.10 -1.16 -1.27 1.01 0.90 0.29 120.40 125.64 1gpx s VAL 101 Ca 0.00 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 1gpx s VAL 101 Cb -0.05 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 1gpx s VAL 101 CO -0.01 -0.79 1.94 -2.16 0.00 0.00 0.00 175.10 174.08 1gpx s PRO 102 N 1.97 2.48 -0.46 2.72 0.04 -1.26 -3.79 135.00 136.71 1gpx s PRO 102 Ca 0.07 -1.09 0.03 0.00 0.04 0.00 0.00 61.00 60.05 1gpx s PRO 102 Cb -0.25 -5.23 0.46 0.00 0.04 0.00 0.00 34.50 29.52 1gpx s PRO 102 CO 0.07 -3.97 1.57 -3.47 0.04 0.00 0.00 177.00 171.24 1gpx n ASP 103 N 14.45 6.14 -3.08 6.66 2.03 -1.26 -4.90 116.55 136.58 1gpx n ASP 103 Ca 0.44 -3.77 -0.07 0.00 0.52 0.00 0.00 54.79 51.92 1gpx n ASP 103 Cb 0.47 -0.63 0.06 0.00 -0.72 0.00 0.00 41.12 40.30 1gpx n ASP 103 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1gpx n ARG 104 N -0.81 -1.93 0.00 -0.67 -4.01 -1.26 -4.97 116.66 103.02 1gpx n ARG 104 Ca 0.52 -0.32 0.00 0.00 -1.04 0.00 0.00 57.85 57.01 1gpx n ARG 104 Cb 0.83 -0.46 0.00 0.00 -3.04 0.00 0.00 32.46 29.79 1gpx n ARG 104 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 1gpx n GLN 105 N -2.34 6.24 0.00 2.89 6.02 -1.26 -5.03 117.38 123.90 1gpx n GLN 105 Ca 0.03 -0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 1gpx n GLN 105 Cb 0.13 -0.54 0.36 0.00 1.02 0.00 0.00 30.24 31.21 1gpx n GLN 105 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96