#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 4.28 -0.04 4.33 2.20 -1.26 -2.55 119.74 126.70 1gpx s LYS 2 Ca 0.00 2.00 0.06 0.00 -0.36 0.00 0.00 55.97 57.67 1gpx s LYS 2 Cb 0.00 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1gpx s LYS 2 CO 0.00 -0.58 -0.23 0.08 -0.36 0.00 0.00 175.35 174.26 1gpx s VAL 3 N 2.38 1.87 -0.25 4.02 1.01 -0.29 -0.71 120.40 128.43 1gpx s VAL 3 Ca 0.65 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1gpx s VAL 3 Cb -0.32 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.54 1gpx s VAL 3 CO 0.27 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 175.10 1gpx s VAL 4 N -0.26 2.03 0.01 2.92 1.01 -0.53 0.18 120.40 125.77 1gpx s VAL 4 Ca 0.01 -1.50 -0.28 0.00 0.00 0.00 0.00 61.98 60.21 1gpx s VAL 4 Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1gpx s VAL 4 CO 0.02 -0.00 0.88 -0.31 0.00 0.00 0.00 175.10 175.69 1gpx s TYR 5 N 1.17 3.68 -0.11 5.22 2.02 -1.08 0.17 117.35 128.42 1gpx s TYR 5 Ca -0.07 1.57 0.04 0.00 -0.37 0.00 0.00 57.07 58.24 1gpx s TYR 5 Cb -0.19 -2.99 0.00 0.00 -0.40 0.00 0.00 41.96 38.38 1gpx s TYR 5 CO -0.06 0.09 -0.23 0.08 -1.57 0.00 0.00 175.55 173.86 1gpx s VAL 6 N 0.64 2.01 0.00 0.71 1.01 -1.05 0.12 120.40 123.84 1gpx s VAL 6 Ca 0.46 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1gpx s VAL 6 Cb -0.21 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.43 1gpx s VAL 6 CO 0.25 0.55 0.00 -1.54 0.00 0.00 0.00 175.10 174.36 1gpx n SER 7 N 3.67 0.00 -0.00 3.32 3.41 0.21 0.33 113.62 124.56 1gpx n SER 7 Ca -0.19 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.51 1gpx n SER 7 Cb 0.53 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.03 0.00 0.97 7.33 1.44 -1.24 -4.09 115.22 119.60 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 -0.06 0.08 0.00 0.12 0.00 0.00 29.99 30.13 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 -1.56 2.80 0.00 4.39 5.75 -1.26 -4.94 116.55 121.73 1gpx n ASP 9 Ca 0.03 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1gpx n ASP 9 Cb 0.33 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 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 1.33 2.82 3.56 6.12 0.00 -1.26 -5.07 105.19 112.69 1gpx n GLY 10 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1gpx n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gpx n THR 11 N -0.98 2.14 -5.01 2.61 -1.04 -1.26 -4.57 114.28 106.18 1gpx n THR 11 Ca 0.00 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.24 1gpx n THR 11 Cb 0.00 -0.91 -0.16 0.00 -1.82 0.00 0.00 70.33 67.45 1gpx n THR 11 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1gpx s ARG 12 N -1.74 1.74 -0.39 -2.82 0.52 -1.26 0.63 118.95 115.64 1gpx s ARG 12 Ca 0.62 -0.73 0.09 0.00 -0.52 0.00 0.00 55.73 55.19 1gpx s ARG 12 Cb -0.62 -1.64 0.27 0.00 0.52 0.00 0.00 34.95 33.47 1gpx s ARG 12 CO 0.58 0.42 0.57 -2.13 0.02 0.00 0.00 175.30 174.76 1gpx n ARG 13 N 2.66 0.77 -2.14 3.54 0.63 0.33 -4.92 116.66 117.52 1gpx n ARG 13 Ca -0.16 -3.24 -0.40 0.00 -0.92 0.00 0.00 57.85 53.14 1gpx n ARG 13 Cb 0.53 -1.32 -0.02 0.00 0.45 0.00 0.00 32.46 32.10 1gpx n ARG 13 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1gpx s GLU 14 N -1.43 4.26 0.11 -0.14 8.01 -1.26 -2.63 118.70 125.63 1gpx s GLU 14 Ca 0.36 2.14 0.06 0.00 0.01 0.00 0.00 54.97 57.53 1gpx s GLU 14 Cb 0.21 -2.97 -0.04 0.00 -4.31 0.00 0.00 34.13 27.02 1gpx s GLU 14 CO -0.10 -0.24 -0.01 -0.51 0.01 0.00 0.00 175.26 174.40 1gpx s LEU 15 N -1.98 3.38 -0.96 1.80 1.43 0.48 -4.82 118.68 118.01 1gpx s LEU 15 Ca 0.51 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.24 1gpx s LEU 15 Cb -0.38 -2.11 0.24 0.00 0.03 0.00 0.00 46.19 43.97 1gpx s LEU 15 CO 0.50 0.16 0.94 -0.62 0.23 0.00 0.00 176.35 177.56 1gpx s ASP 16 N -2.40 7.00 0.47 2.29 -1.08 -1.26 -1.14 116.67 120.54 1gpx s ASP 16 Ca 0.25 -3.05 0.07 0.00 -0.52 0.00 0.00 52.55 49.30 1gpx s ASP 16 Cb -0.11 -2.22 0.03 0.00 -1.46 0.00 0.00 42.92 39.15 1gpx s ASP 16 CO 0.18 -0.48 0.64 -0.69 0.52 0.00 0.00 175.17 175.34 1gpx s VAL 17 N -0.29 2.82 0.00 1.11 1.01 -1.06 -4.92 120.40 119.07 1gpx s VAL 17 Ca 0.24 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1gpx s VAL 17 Cb -0.10 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1gpx s VAL 17 CO -0.08 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.02 1gpx n ALA 18 N -2.00 0.00 -2.93 5.51 0.00 -1.26 0.26 120.51 120.09 1gpx n ALA 18 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 1gpx n ALA 18 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 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 0.86 5.29 0.00 0.00 -4.77 -1.24 -2.72 116.67 114.08 1gpx s ASP 19 Ca 0.00 -0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 1gpx s ASP 19 Cb 0.00 -1.92 0.00 0.00 -1.09 0.00 0.00 42.92 39.91 1gpx s ASP 19 CO 0.00 0.08 0.00 0.61 0.70 0.00 0.00 175.17 176.56 1gpx n GLY 20 N 4.12 0.78 3.97 2.12 0.00 -1.18 -5.01 105.19 109.99 1gpx n GLY 20 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 2.79 0.28 1.61 1.01 -1.26 -4.86 120.40 117.97 1gpx s VAL 21 Ca 0.00 -1.11 0.11 0.00 0.00 0.00 0.00 61.98 60.98 1gpx s VAL 21 Cb 0.00 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1gpx s VAL 21 CO 0.00 0.00 -0.19 -0.94 0.00 0.00 0.00 175.10 173.97 1gpx s SER 22 N -4.32 3.49 0.56 3.32 1.04 -1.26 0.27 113.70 116.80 1gpx s SER 22 Ca 0.53 -1.04 0.28 0.00 0.48 0.00 0.00 55.95 56.20 1gpx s SER 22 Cb -0.07 -0.28 1.54 0.00 0.10 0.00 0.00 66.02 67.30 1gpx s SER 22 CO 0.32 0.00 1.85 -0.07 0.98 0.00 0.00 173.24 176.32 1gpx h LEU 23 N 2.29 0.00 0.00 2.42 3.38 -1.72 -2.54 115.31 119.13 1gpx h LEU 23 Ca -0.40 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1gpx h LEU 23 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1gpx h LEU 23 CO 0.61 0.00 -0.66 0.80 0.09 0.00 0.00 178.44 179.28 1gpx n MET 24 N -2.68 0.47 -0.20 1.13 1.56 -0.93 -3.73 117.12 112.73 1gpx n MET 24 Ca -0.02 0.53 -0.05 0.00 -0.27 0.00 0.00 57.70 57.89 1gpx n MET 24 Cb 0.28 -1.70 -0.05 0.00 2.15 0.00 0.00 33.22 33.89 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 -4.58 -0.21 -0.09 2.12 7.27 -0.97 0.34 117.38 121.26 1gpx n GLN 25 Ca -0.12 1.18 -0.10 0.00 0.07 0.00 0.00 57.00 58.03 1gpx n GLN 25 Cb 0.34 -1.75 -0.04 0.00 2.41 0.00 0.00 30.24 31.21 1gpx n GLN 25 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gpx h ALA 26 N -0.20 -0.38 0.02 1.69 0.00 -1.76 0.16 119.26 118.79 1gpx h ALA 26 Ca 0.08 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1gpx h ALA 26 Cb 0.20 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1gpx h ALA 26 CO -0.46 -0.83 -0.35 0.00 0.00 0.00 0.00 179.25 177.62 1gpx h ALA 27 N 0.47 -0.54 -0.87 0.00 0.00 -0.61 1.38 119.26 119.10 1gpx h ALA 27 Ca 0.13 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1gpx h ALA 27 Cb 0.58 0.61 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 1gpx h ALA 27 CO -0.51 -0.87 -0.06 0.28 0.00 0.00 0.00 179.25 178.09 1gpx n VAL 28 N -5.43 -0.36 0.06 0.00 0.31 1.05 0.15 118.33 114.11 1gpx n VAL 28 Ca -0.05 1.93 -0.21 0.00 -0.01 0.00 0.00 64.34 66.00 1gpx n VAL 28 Cb 0.34 -2.77 -0.15 0.00 -0.91 0.00 0.00 33.84 30.35 1gpx n VAL 28 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1gpx h SER 29 N 0.00 0.53 0.00 4.52 0.02 0.10 -3.09 113.55 115.63 1gpx h SER 29 Ca 0.49 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1gpx h SER 29 Cb 0.94 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1gpx h SER 29 CO -0.84 1.44 0.00 0.59 -1.14 0.00 0.00 176.83 176.88 1gpx n ASN 30 N -4.07 0.00 0.00 3.07 3.02 0.46 -4.76 115.26 112.98 1gpx n ASN 30 Ca -0.14 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1gpx n ASN 30 Cb 0.86 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.40 2.99 0.51 7.41 0.00 0.39 -4.80 105.19 110.29 1gpx n GLY 31 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.35 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 0.44 -2.16 -0.61 2.04 -1.76 -2.04 117.51 113.42 1gpx h ILE 32 Ca 0.00 0.00 -0.79 0.00 1.00 0.00 0.00 64.86 65.07 1gpx h ILE 32 Cb 0.00 0.45 -0.27 0.00 -0.74 0.00 0.00 36.82 36.25 1gpx h ILE 32 CO 0.00 0.00 1.00 -1.22 0.00 0.00 0.00 178.15 177.93 1gpx n TYR 33 N -4.19 2.87 -0.64 1.37 4.02 -1.21 -4.85 117.16 114.53 1gpx n TYR 33 Ca 0.23 -2.51 -0.15 0.00 -0.01 0.00 0.00 57.90 55.46 1gpx n TYR 33 Cb 1.16 -1.17 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 1gpx n TYR 33 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1gpx n ASP 34 N -0.23 4.01 -3.02 7.72 5.75 -0.77 -4.71 116.55 125.30 1gpx n ASP 34 Ca 0.49 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1gpx n ASP 34 Cb 0.26 -0.96 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 1gpx n ASP 34 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1gpx n ILE 35 N 3.66 0.00 -0.40 2.12 -5.35 -1.26 -5.12 119.36 113.01 1gpx n ILE 35 Ca 0.35 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.83 1gpx n ILE 35 Cb 0.27 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 37.79 1gpx n ILE 35 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1gpx n VAL 36 N -0.00 0.00 -3.91 7.28 0.31 -1.26 -5.08 118.33 115.66 1gpx n VAL 36 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1gpx n VAL 36 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 1gpx n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1gpx s GLY 37 N 0.00 2.72 0.04 2.92 0.00 -1.26 -4.88 107.32 106.86 1gpx s GLY 37 Ca 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 44.72 41.12 1gpx s GLY 37 CO 0.00 1.08 0.00 1.22 0.00 0.00 0.00 173.10 175.40 1gpx n ASP 38 N 2.41 0.44 0.12 1.64 8.00 -1.26 -4.73 116.55 123.18 1gpx n ASP 38 Ca 0.14 0.06 0.11 0.00 0.71 0.00 0.00 54.79 55.81 1gpx n ASP 38 Cb 0.34 -0.13 0.47 0.00 -0.02 0.00 0.00 41.12 41.78 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gpx n GLY 40 N -0.12 0.10 2.11 0.00 0.00 -1.26 0.25 105.19 106.27 1gpx n GLY 40 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.46 0.23 1.30 -0.02 0.00 -1.26 -4.92 105.19 100.05 1gpx n GLY 41 Ca -0.10 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.27 1gpx n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gpx n SER 42 N 1.02 0.79 -2.61 1.61 3.41 0.70 -5.01 113.62 113.54 1gpx n SER 42 Ca -0.06 -2.00 -0.14 0.00 -0.26 0.00 0.00 58.87 56.41 1gpx n SER 42 Cb 0.50 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1gpx n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpx n ALA 43 N 0.40 -1.13 -2.54 7.33 0.00 -1.04 -4.95 120.51 118.57 1gpx n ALA 43 Ca 0.05 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 1gpx n ALA 43 Cb 1.06 -2.78 0.02 0.00 0.00 0.00 0.00 19.45 17.75 1gpx n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gpx n SER 44 N -2.01 3.03 -4.66 0.00 7.64 -1.25 -4.92 113.62 111.45 1gpx n SER 44 Ca -0.10 -3.07 -0.25 0.00 1.01 0.00 0.00 58.87 56.46 1gpx n SER 44 Cb 0.58 -0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 1gpx n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gpx n ALA 46 N -0.48 3.09 -0.05 0.00 0.00 -1.26 -3.97 120.51 117.86 1gpx n ALA 46 Ca -0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.06 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 0.25 0.00 0.00 0.00 177.50 177.75 1gpx n THR 47 N -1.16 0.66 -1.22 0.00 -2.24 -1.26 -3.59 114.28 105.47 1gpx n THR 47 Ca 0.02 -0.41 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 1gpx n THR 47 Cb 0.13 -0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 67.59 1gpx n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gpx s HIS 49 N 3.93 3.64 0.04 0.00 2.46 -1.26 0.34 115.29 124.43 1gpx s HIS 49 Ca 0.52 1.22 -0.04 0.00 0.47 0.00 0.00 55.06 57.24 1gpx s HIS 49 Cb 0.14 -2.70 -0.02 0.00 -0.13 0.00 0.00 32.58 29.87 1gpx s HIS 49 CO 0.02 0.23 0.05 0.14 -2.47 0.00 0.00 174.74 172.71 1gpx s VAL 50 N 0.24 0.15 -0.19 0.89 -7.23 -0.42 -4.09 120.40 109.75 1gpx s VAL 50 Ca 0.34 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 1gpx s VAL 50 Cb -0.18 -0.93 0.03 0.00 0.56 0.00 0.00 36.38 35.86 1gpx s VAL 50 CO 0.18 -0.67 -0.18 -0.31 -0.31 0.00 0.00 175.10 173.80 1gpx s TYR 51 N -2.73 2.84 0.38 2.82 2.02 0.71 -1.76 117.35 121.64 1gpx s TYR 51 Ca -0.04 -1.76 0.05 0.00 -0.37 0.00 0.00 57.07 54.95 1gpx s TYR 51 Cb -0.01 -1.91 -0.00 0.00 -0.40 0.00 0.00 41.96 39.64 1gpx s TYR 51 CO -0.05 -0.82 0.54 0.08 -1.57 0.00 0.00 175.55 173.73 1gpx s VAL 52 N 1.26 3.89 0.04 0.71 1.01 -1.26 0.32 120.40 126.38 1gpx s VAL 52 Ca 0.02 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1gpx s VAL 52 Cb -0.14 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1gpx s VAL 52 CO -0.11 -0.18 0.57 0.54 0.00 0.00 0.00 175.10 175.91 1gpx s ASN 53 N -4.21 7.02 0.55 3.32 4.22 0.38 -4.77 114.94 121.44 1gpx s ASN 53 Ca 0.47 1.21 0.30 0.00 -2.14 0.00 0.00 52.86 52.70 1gpx s ASN 53 Cb -0.10 -2.35 1.04 0.00 1.28 0.00 0.00 41.25 41.12 1gpx s ASN 53 CO 0.33 0.22 1.26 -1.84 -2.04 0.00 0.00 177.10 175.03 1gpx n GLU 54 N 2.06 0.01 0.23 3.55 0.28 -1.26 0.15 120.64 125.66 1gpx n GLU 54 Ca -0.09 0.96 0.16 0.00 -0.16 0.00 0.00 57.16 58.02 1gpx n GLU 54 Cb 0.51 -2.33 0.68 0.00 1.43 0.00 0.00 31.44 31.73 1gpx n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gpx h ALA 55 N 0.59 1.00 0.00 -1.84 0.00 -1.96 -3.12 119.26 113.93 1gpx h ALA 55 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1gpx h ALA 55 Cb 2.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.71 1gpx h ALA 55 CO -0.01 0.00 -0.23 1.19 0.00 0.00 0.00 179.25 180.20 1gpx n PHE 56 N -2.77 0.00 0.17 0.00 3.01 0.40 -4.59 117.46 113.68 1gpx n PHE 56 Ca 0.01 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1gpx n PHE 56 Cb 0.24 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.79 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 0.44 0.00 4.37 1.35 -1.36 -2.92 112.91 114.80 1gpx h THR 57 Ca 0.00 -1.64 -0.10 0.00 -0.55 0.00 0.00 66.41 64.12 1gpx h THR 57 Cb 0.00 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 1gpx h THR 57 CO 0.00 0.25 -0.92 -2.24 -0.25 0.00 0.00 175.52 172.36 1gpx h ASP 58 N 0.00 0.00 0.05 5.36 3.04 -1.79 -3.35 116.42 119.74 1gpx h ASP 58 Ca -0.01 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.70 1gpx h ASP 58 Cb 1.21 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.51 1gpx h ASP 58 CO 0.03 0.40 -0.34 0.11 -2.04 0.00 0.00 179.24 177.40 1gpx h LYS 59 N 0.00 0.13 -6.33 4.15 1.79 -1.80 -3.46 116.57 111.05 1gpx h LYS 59 Ca -0.07 -0.21 -0.53 0.00 -2.18 0.00 0.00 60.65 57.65 1gpx h LYS 59 Cb 1.36 0.08 0.23 0.00 -1.58 0.00 0.00 32.23 32.32 1gpx h LYS 59 CO 0.04 1.08 -1.41 1.33 -1.08 0.00 0.00 179.45 179.41 1gpx n VAL 60 N -4.41 0.00 -0.93 0.50 0.24 -1.10 -4.90 118.33 107.73 1gpx n VAL 60 Ca -0.11 -0.33 -0.30 0.00 -2.04 0.00 0.00 64.34 61.55 1gpx n VAL 60 Cb 0.61 -0.27 0.16 0.00 -1.47 0.00 0.00 33.84 32.88 1gpx n VAL 60 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1gpx s PRO 61 N -2.69 0.95 -0.14 7.34 0.04 -1.26 -4.97 135.00 134.26 1gpx s PRO 61 Ca 0.47 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 62.34 1gpx s PRO 61 Cb -0.16 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1gpx s PRO 61 CO 0.75 -2.54 0.96 0.00 0.04 0.00 0.00 177.00 176.21 1gpx s ALA 62 N -2.75 3.48 0.46 8.56 0.00 -1.26 -5.04 121.76 125.21 1gpx s ALA 62 Ca 0.65 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.82 1gpx s ALA 62 Cb -0.21 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 1gpx s ALA 62 CO 0.59 -0.68 0.74 0.00 0.00 0.00 0.00 175.76 176.41 1gpx s ALA 63 N 2.23 3.46 0.00 0.00 0.00 -1.26 -5.10 121.76 121.08 1gpx s ALA 63 Ca 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1gpx s ALA 63 Cb -0.17 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1gpx s ALA 63 CO 0.15 -0.31 0.00 0.27 0.00 0.00 0.00 175.76 175.87 1gpx n ASN 64 N -2.18 0.06 0.31 0.00 2.04 -1.26 -4.91 115.26 109.31 1gpx n ASN 64 Ca -0.00 -0.69 0.17 0.00 -0.44 0.00 0.00 54.58 53.62 1gpx n ASN 64 Cb 0.55 0.00 0.98 0.00 -2.53 0.00 0.00 39.78 38.78 1gpx n ASN 64 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1gpx h GLU 65 N 0.00 0.00 0.00 -3.83 4.11 -2.01 -0.19 114.58 112.66 1gpx h GLU 65 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1gpx h GLU 65 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1gpx h GLU 65 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 179.01 178.99 1gpx h ARG 66 N 0.00 0.00 -0.02 1.06 2.43 -1.98 -0.02 114.38 115.85 1gpx h ARG 66 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1gpx h ARG 66 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1gpx h ARG 66 CO 0.00 0.00 -0.36 -1.91 -1.51 0.00 0.00 179.97 176.19 1gpx n GLU 67 N -2.35 1.49 -0.07 0.20 4.07 -0.09 -3.96 120.64 119.93 1gpx n GLU 67 Ca 0.00 -1.22 -0.06 0.00 -0.06 0.00 0.00 57.16 55.82 1gpx n GLU 67 Cb 0.13 -1.47 -0.02 0.00 -0.06 0.00 0.00 31.44 30.03 1gpx n GLU 67 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1gpx n ILE 68 N 0.31 1.43 -0.03 6.31 -0.00 -0.03 -3.64 119.36 123.71 1gpx n ILE 68 Ca 0.10 0.19 -0.14 0.00 -0.00 0.00 0.00 62.75 62.90 1gpx n ILE 68 Cb 0.50 -2.37 -0.10 0.00 -0.00 0.00 0.00 39.64 37.67 1gpx n ILE 68 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1gpx h GLY 69 N -1.00 0.22 -0.12 7.39 0.00 -1.79 0.53 103.07 108.31 1gpx h GLY 69 Ca -0.03 -0.30 0.09 0.00 0.00 0.00 0.00 47.33 47.09 1gpx h GLY 69 CO -0.02 0.27 -0.23 1.98 0.00 0.00 0.00 176.54 178.54 1gpx h MET 70 N -0.34 -0.13 -0.18 4.80 -1.53 -1.81 2.22 114.93 117.95 1gpx h MET 70 Ca -0.01 0.01 -0.11 0.00 -3.44 0.00 0.00 59.70 56.15 1gpx h MET 70 Cb 0.82 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.88 1gpx h MET 70 CO 0.04 -0.09 -0.35 1.25 0.14 0.00 0.00 176.91 177.90 1gpx h LEU 71 N -0.14 0.40 -1.35 3.39 6.46 -1.62 -1.98 115.31 120.47 1gpx h LEU 71 Ca 0.21 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1gpx h LEU 71 Cb 0.47 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1gpx h LEU 71 CO -0.54 0.72 0.00 1.21 -0.62 0.00 0.00 178.44 179.21 1gpx n GLU 72 N -4.06 1.86 -0.19 1.25 2.13 0.18 -4.28 120.64 117.54 1gpx n GLU 72 Ca -0.01 -1.33 -0.01 0.00 0.66 0.00 0.00 57.16 56.47 1gpx n GLU 72 Cb 0.46 -1.35 0.06 0.00 0.27 0.00 0.00 31.44 30.88 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 -6.21 4.84 -0.90 0.00 -7.23 -1.24 -4.94 120.40 104.73 1gpx s VAL 74 Ca -0.14 0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 60.38 1gpx s VAL 74 Cb 0.18 -4.14 -0.25 0.00 0.56 0.00 0.00 36.38 32.74 1gpx s VAL 74 CO 0.73 -0.42 2.25 1.07 -0.31 0.00 0.00 175.10 178.42 1gpx n THR 75 N 5.71 0.00 -2.37 5.32 5.66 -1.25 -4.67 114.28 122.68 1gpx n THR 75 Ca -0.01 -0.50 -0.20 0.00 -3.05 0.00 0.00 64.05 60.30 1gpx n THR 75 Cb 0.48 -0.86 0.02 0.00 -1.55 0.00 0.00 70.33 68.42 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 11.21 4.51 -4.08 1.79 0.00 -1.26 -4.74 120.51 127.94 1gpx n ALA 76 Ca 0.58 -3.76 -0.46 0.00 0.00 0.00 0.00 53.44 49.80 1gpx n ALA 76 Cb 0.27 -0.55 0.02 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.53 -0.27 -0.89 0.00 0.28 -1.26 -4.64 120.64 113.32 1gpx n GLU 77 Ca 0.33 0.07 -0.33 0.00 -0.16 0.00 0.00 57.16 57.07 1gpx n GLU 77 Cb 0.82 -2.35 -0.04 0.00 1.43 0.00 0.00 31.44 31.30 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 -4.90 -0.28 -4.83 -1.84 7.94 -1.26 -4.94 117.00 106.89 1gpx n LEU 78 Ca -0.12 0.70 -0.24 0.00 -1.11 0.00 0.00 56.01 55.24 1gpx n LEU 78 Cb 0.55 -0.57 -0.04 0.00 0.53 0.00 0.00 43.42 43.90 1gpx n LEU 78 CO 0.73 -1.40 -0.05 -0.54 -1.11 0.00 0.00 177.39 175.02 1gpx s LYS 79 N -0.22 2.35 0.35 1.96 1.02 -1.26 -4.98 119.74 118.95 1gpx s LYS 79 Ca 0.49 -1.78 0.09 0.00 0.02 0.00 0.00 55.97 54.79 1gpx s LYS 79 Cb -0.70 -2.15 0.65 0.00 -0.52 0.00 0.00 37.83 35.12 1gpx s LYS 79 CO 0.34 -0.26 1.83 -1.00 -0.92 0.00 0.00 175.35 175.34 1gpx h PRO 80 N 1.13 0.22 0.00 -1.68 0.13 -2.01 -2.81 132.00 126.97 1gpx h PRO 80 Ca -0.41 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1gpx h PRO 80 Cb 1.27 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1gpx h PRO 80 CO 0.62 0.47 -1.02 0.27 -0.23 0.00 0.00 178.00 178.11 1gpx n ASN 81 N -4.17 0.87 -4.46 1.44 6.94 -1.26 -4.97 115.26 109.65 1gpx n ASN 81 Ca -0.01 -0.83 -0.38 0.00 -0.02 0.00 0.00 54.58 53.34 1gpx n ASN 81 Cb 0.36 0.98 0.04 0.00 -2.36 0.00 0.00 39.78 38.80 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 -1.57 -1.19 -3.56 0.53 7.64 -1.06 -4.28 113.62 110.12 1gpx n SER 82 Ca 0.04 0.71 -0.16 0.00 1.01 0.00 0.00 58.87 60.47 1gpx n SER 82 Cb 0.35 -1.16 -0.06 0.00 -1.01 0.00 0.00 64.21 62.33 1gpx n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1gpx s ARG 83 N -2.12 1.00 0.08 1.43 1.81 -0.72 -4.88 118.95 115.56 1gpx s ARG 83 Ca 0.68 0.05 -0.31 0.00 -1.72 0.00 0.00 55.73 54.43 1gpx s ARG 83 Cb -0.43 0.47 -0.06 0.00 -0.45 0.00 0.00 34.95 34.47 1gpx s ARG 83 CO 0.55 -0.33 1.23 -1.17 -0.68 0.00 0.00 175.30 174.91 1gpx s LEU 84 N -1.44 4.38 0.65 2.53 0.20 -1.26 -1.30 118.68 122.44 1gpx s LEU 84 Ca -0.10 2.09 0.14 0.00 0.69 0.00 0.00 54.13 56.95 1gpx s LEU 84 Cb -0.01 -3.58 0.69 0.00 -0.43 0.00 0.00 46.19 42.86 1gpx s LEU 84 CO 0.06 -0.49 1.37 0.28 -0.29 0.00 0.00 176.35 177.27 1gpx h SER 85 N 6.66 0.00 -0.89 3.68 0.02 0.55 0.21 113.55 123.77 1gpx h SER 85 Ca -0.42 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.92 1gpx h SER 85 Cb 1.21 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.42 1gpx h SER 85 CO 0.81 0.00 0.28 0.00 -1.14 0.00 0.00 176.83 176.79 1gpx n GLN 87 N -0.87 0.00 -2.77 0.00 1.13 0.73 -2.51 117.38 113.10 1gpx n GLN 87 Ca 0.56 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 55.24 1gpx n GLN 87 Cb 0.81 -0.61 -0.06 0.00 0.11 0.00 0.00 30.24 30.49 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 -1.88 4.16 0.24 5.09 1.01 -1.26 -4.98 121.20 123.59 1gpx s ILE 88 Ca 0.00 1.88 0.08 0.00 0.00 0.00 0.00 60.65 62.62 1gpx s ILE 88 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1gpx s ILE 88 CO 0.00 0.23 0.05 -0.63 0.00 0.00 0.00 174.94 174.59 1gpx s ILE 89 N -1.50 3.77 -0.40 2.92 -1.09 -1.26 -3.48 121.20 120.15 1gpx s ILE 89 Ca 0.48 -1.67 -0.06 0.00 -2.23 0.00 0.00 60.65 57.17 1gpx s ILE 89 Cb -0.21 -2.99 0.09 0.00 -1.58 0.00 0.00 42.46 37.77 1gpx s ILE 89 CO 0.26 -0.31 0.20 -0.32 -1.23 0.00 0.00 174.94 173.55 1gpx s MET 90 N -3.54 2.37 0.40 2.79 1.75 0.76 -4.84 119.30 118.99 1gpx s MET 90 Ca 0.31 -1.56 0.06 0.00 -1.25 0.00 0.00 55.69 53.25 1gpx s MET 90 Cb -0.07 -3.62 0.00 0.00 2.84 0.00 0.00 34.83 33.98 1gpx s MET 90 CO 0.21 -0.95 0.56 0.95 -0.65 0.00 0.00 175.02 175.15 1gpx s THR 91 N 1.30 3.48 -1.96 10.11 -4.23 -1.26 -3.12 115.64 119.95 1gpx s THR 91 Ca 0.03 -0.91 0.20 0.00 -1.18 0.00 0.00 61.69 59.83 1gpx s THR 91 Cb -0.22 -3.21 0.56 0.00 1.34 0.00 0.00 72.50 70.97 1gpx s THR 91 CO -0.01 -0.09 1.59 -0.81 -0.54 0.00 0.00 174.62 174.76 1gpx n PRO 92 N -1.85 0.61 -0.05 3.99 -0.04 -1.26 -2.84 135.00 133.56 1gpx n PRO 92 Ca 0.04 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.45 1gpx n PRO 92 Cb 0.59 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.02 1.93 -1.01 0.54 0.28 -1.26 -4.50 120.64 115.60 1gpx n GLU 93 Ca 0.15 0.01 -0.22 0.00 -0.16 0.00 0.00 57.16 56.94 1gpx n GLU 93 Cb 0.07 -1.26 0.09 0.00 1.43 0.00 0.00 31.44 31.78 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 -2.48 6.44 -4.88 -1.84 4.77 -1.13 -4.95 117.00 112.93 1gpx n LEU 94 Ca -0.18 -3.43 -0.30 0.00 -0.03 0.00 0.00 56.01 52.08 1gpx n LEU 94 Cb 0.81 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1gpx n LEU 94 CO 0.20 1.13 0.37 1.51 -1.33 0.00 0.00 177.39 179.27 1gpx s ASP 95 N -0.75 6.51 0.00 -1.43 -4.77 -1.21 -4.25 116.67 110.77 1gpx s ASP 95 Ca 0.45 1.02 0.00 0.00 -3.30 0.00 0.00 52.55 50.71 1gpx s ASP 95 Cb 0.36 -2.27 0.00 0.00 -1.09 0.00 0.00 42.92 39.92 1gpx s ASP 95 CO 0.04 -0.33 0.00 0.61 0.70 0.00 0.00 175.17 176.18 1gpx n GLY 96 N -1.16 1.12 3.83 2.12 0.00 0.11 -4.79 105.19 106.42 1gpx n GLY 96 Ca 0.01 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 4.48 -0.19 -0.61 -1.16 -0.94 -4.95 121.20 115.84 1gpx s ILE 97 Ca 0.00 1.31 -0.03 0.00 -0.51 0.00 0.00 60.65 61.42 1gpx s ILE 97 Cb 0.00 -3.66 -0.01 0.00 0.61 0.00 0.00 42.46 39.40 1gpx s ILE 97 CO 0.00 -0.49 -0.07 -0.69 -2.81 0.00 0.00 174.94 170.87 1gpx s VAL 98 N -2.38 3.26 0.34 4.00 1.01 -1.26 -1.45 120.40 123.92 1gpx s VAL 98 Ca 0.60 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1gpx s VAL 98 Cb -0.10 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.89 1gpx s VAL 98 CO 0.22 0.46 0.39 0.52 0.00 0.00 0.00 175.10 176.70 1gpx n VAL 99 N 4.33 0.00 -3.64 2.92 0.31 0.45 -0.47 118.33 122.23 1gpx n VAL 99 Ca -0.18 -1.22 -0.06 0.00 -0.01 0.00 0.00 64.34 62.86 1gpx n VAL 99 Cb 0.51 -0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 -3.08 -0.85 -0.44 4.52 1.01 0.97 -2.53 116.67 116.28 1gpx s ASP 100 Ca 0.30 1.36 -0.22 0.00 0.71 0.00 0.00 52.55 54.69 1gpx s ASP 100 Cb -0.02 1.35 0.02 0.00 1.01 0.00 0.00 42.92 45.28 1gpx s ASP 100 CO 0.19 -0.21 0.75 -0.69 0.21 0.00 0.00 175.17 175.41 1gpx s VAL 101 N 1.56 4.70 0.25 -1.27 1.01 1.00 0.25 120.40 127.89 1gpx s VAL 101 Ca -0.10 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 1gpx s VAL 101 Cb -0.05 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 1gpx s VAL 101 CO -0.19 -0.67 1.46 -2.16 0.00 0.00 0.00 175.10 173.54 1gpx s PRO 102 N 3.16 4.26 -0.27 2.72 0.04 -1.26 -3.64 135.00 140.00 1gpx s PRO 102 Ca 0.28 2.32 -0.05 0.00 0.04 0.00 0.00 61.00 63.59 1gpx s PRO 102 Cb -0.13 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1gpx s PRO 102 CO 0.21 -0.44 0.03 0.34 0.04 0.00 0.00 177.00 177.18 1gpx s ASP 103 N 0.42 4.84 -0.86 6.66 2.15 -1.26 -4.99 116.67 123.62 1gpx s ASP 103 Ca 0.60 -0.70 0.01 0.00 0.43 0.00 0.00 52.55 52.89 1gpx s ASP 103 Cb -0.42 -1.81 0.28 0.00 -0.30 0.00 0.00 42.92 40.66 1gpx s ASP 103 CO 0.43 -0.15 1.09 0.54 -0.17 0.00 0.00 175.17 176.91 1gpx n ARG 104 N 4.81 3.45 -1.54 4.34 3.00 -1.26 -4.84 116.66 124.62 1gpx n ARG 104 Ca -0.15 -4.61 -0.33 0.00 -0.01 0.00 0.00 57.85 52.74 1gpx n ARG 104 Cb 0.48 -2.39 0.06 0.00 0.00 0.00 0.00 32.46 30.62 1gpx n ARG 104 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1gpx n GLN 105 N 1.16 2.88 0.00 5.56 0.00 -1.26 -4.98 117.38 120.74 1gpx n GLN 105 Ca 0.28 -3.50 0.07 0.00 -0.00 0.00 0.00 57.00 53.84 1gpx n GLN 105 Cb 0.37 -2.29 0.06 0.00 0.00 0.00 0.00 30.24 28.38 1gpx n GLN 105 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97