#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 4.14 0.06 1.43 2.36 -1.25 -2.13 119.74 124.35 1gpx s LYS 2 Ca 0.00 2.57 0.09 0.00 -2.55 0.00 0.00 55.97 56.08 1gpx s LYS 2 Cb 0.00 -3.71 -0.03 0.00 -1.05 0.00 0.00 37.83 33.04 1gpx s LYS 2 CO 0.00 -0.85 -0.25 0.08 1.55 0.00 0.00 175.35 175.88 1gpx s VAL 3 N 3.08 2.02 -0.08 4.02 1.01 0.71 0.17 120.40 131.33 1gpx s VAL 3 Ca 0.82 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1gpx s VAL 3 Cb -0.45 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1gpx s VAL 3 CO 0.37 0.25 -0.08 -0.69 0.00 0.00 0.00 175.10 174.95 1gpx s VAL 4 N -0.87 0.88 -0.15 2.92 1.01 0.07 0.19 120.40 124.45 1gpx s VAL 4 Ca 0.11 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1gpx s VAL 4 Cb -0.10 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1gpx s VAL 4 CO 0.03 0.32 0.12 -0.31 0.00 0.00 0.00 175.10 175.25 1gpx s TYR 5 N 1.19 3.46 -0.17 5.22 2.02 0.66 0.27 117.35 130.01 1gpx s TYR 5 Ca -0.05 0.39 0.01 0.00 -0.37 0.00 0.00 57.07 57.04 1gpx s TYR 5 Cb -0.14 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 1gpx s TYR 5 CO -0.02 0.52 -0.17 0.08 -1.57 0.00 0.00 175.55 174.38 1gpx s VAL 6 N -0.45 1.85 -0.03 0.71 1.01 -1.09 0.14 120.40 122.54 1gpx s VAL 6 Ca 0.11 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1gpx s VAL 6 Cb -0.12 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1gpx s VAL 6 CO 0.02 0.50 1.00 -0.94 0.00 0.00 0.00 175.10 175.67 1gpx s SER 7 N 1.37 7.32 0.62 3.32 1.04 0.83 0.26 113.70 128.47 1gpx s SER 7 Ca 0.05 1.63 0.23 0.00 0.48 0.00 0.00 55.95 58.34 1gpx s SER 7 Cb -0.13 -2.57 0.86 0.00 0.10 0.00 0.00 66.02 64.28 1gpx s SER 7 CO -0.12 -0.33 1.34 -0.74 0.98 0.00 0.00 173.24 174.37 1gpx h HIS 8 N 6.90 0.00 0.00 5.02 2.76 -1.81 3.01 115.15 131.03 1gpx h HIS 8 Ca -0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1gpx h HIS 8 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1gpx h HIS 8 CO 0.69 0.00 0.00 -3.47 -1.30 0.00 0.00 177.93 173.85 1gpx n ASP 9 N -3.17 0.00 0.00 3.26 -0.08 -1.26 -4.89 116.55 110.41 1gpx n ASP 9 Ca 0.17 -0.45 0.00 0.00 -1.51 0.00 0.00 54.79 53.00 1gpx n ASP 9 Cb 1.33 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 44.61 1gpx n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1gpx n GLY 10 N 1.11 2.59 3.59 0.27 0.00 1.00 -5.06 105.19 108.69 1gpx n GLY 10 Ca 0.18 -0.66 -0.46 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 1.41 -4.29 2.61 -1.04 -1.23 -4.41 114.28 107.33 1gpx n THR 11 Ca 0.00 -0.35 -0.20 0.00 -2.04 0.00 0.00 64.05 61.46 1gpx n THR 11 Cb 0.00 -0.95 -0.13 0.00 -1.82 0.00 0.00 70.33 67.43 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 -0.92 0.90 -0.11 -2.82 0.52 -1.26 0.29 118.95 115.56 1gpx s ARG 12 Ca 0.66 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 55.02 1gpx s ARG 12 Cb -0.77 -0.91 0.03 0.00 0.52 0.00 0.00 34.95 33.82 1gpx s ARG 12 CO 0.55 0.22 -0.05 -0.98 0.02 0.00 0.00 175.30 175.07 1gpx s ARG 13 N -1.37 1.20 -0.22 3.54 1.70 0.36 -4.90 118.95 119.26 1gpx s ARG 13 Ca 0.00 -0.16 -0.15 0.00 -0.47 0.00 0.00 55.73 54.95 1gpx s ARG 13 Cb -0.09 -1.44 -0.04 0.00 -0.57 0.00 0.00 34.95 32.82 1gpx s ARG 13 CO 0.02 -0.30 0.38 -1.21 -1.08 0.00 0.00 175.30 173.11 1gpx s GLU 14 N 1.79 4.13 0.04 3.89 2.02 -1.26 0.24 118.70 129.55 1gpx s GLU 14 Ca 0.04 0.14 0.04 0.00 0.02 0.00 0.00 54.97 55.22 1gpx s GLU 14 Cb -0.13 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 1gpx s GLU 14 CO -0.07 -0.09 -0.03 -0.51 0.02 0.00 0.00 175.26 174.57 1gpx s LEU 15 N 1.49 3.33 -0.89 1.80 1.43 0.50 -4.94 118.68 121.40 1gpx s LEU 15 Ca 0.18 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 1gpx s LEU 15 Cb -0.15 -1.98 0.23 0.00 0.03 0.00 0.00 46.19 44.32 1gpx s LEU 15 CO 0.08 0.24 0.85 -1.81 0.23 0.00 0.00 176.35 175.93 1gpx s ASP 16 N -1.82 6.87 0.36 2.29 1.11 -1.26 -0.20 116.67 124.01 1gpx s ASP 16 Ca 0.21 -2.85 0.06 0.00 0.18 0.00 0.00 52.55 50.15 1gpx s ASP 16 Cb -0.11 -2.22 -0.01 0.00 1.07 0.00 0.00 42.92 41.65 1gpx s ASP 16 CO 0.12 -0.53 0.51 -0.69 1.18 0.00 0.00 175.17 175.76 1gpx s VAL 17 N -0.02 3.91 0.00 -1.27 1.01 -0.91 -4.91 120.40 118.21 1gpx s VAL 17 Ca 0.21 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1gpx s VAL 17 Cb -0.10 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1gpx s VAL 17 CO -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 175.10 174.85 1gpx n ALA 18 N -1.74 0.00 -2.73 5.51 0.00 -1.26 0.26 120.51 120.55 1gpx n ALA 18 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 1gpx n ALA 18 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 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 0.89 5.97 0.00 0.00 1.47 -1.22 0.26 116.67 124.05 1gpx s ASP 19 Ca 0.00 0.10 0.00 0.00 1.18 0.00 0.00 52.55 53.83 1gpx s ASP 19 Cb 0.00 -2.06 0.00 0.00 -0.34 0.00 0.00 42.92 40.52 1gpx s ASP 19 CO 0.00 0.10 0.00 0.61 0.68 0.00 0.00 175.17 176.56 1gpx n GLY 20 N 4.06 0.79 4.01 2.12 0.00 -1.16 -5.02 105.19 109.99 1gpx n GLY 20 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 2.91 0.37 1.61 1.01 -1.26 -4.85 120.40 118.20 1gpx s VAL 21 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.08 1gpx s VAL 21 Cb 0.00 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 1gpx s VAL 21 CO 0.00 0.00 -0.03 -0.94 0.00 0.00 0.00 175.10 174.13 1gpx s SER 22 N -4.38 3.71 0.55 3.32 1.04 -1.26 0.26 113.70 116.94 1gpx s SER 22 Ca 0.56 -1.29 0.23 0.00 0.48 0.00 0.00 55.95 55.92 1gpx s SER 22 Cb -0.10 -0.36 1.51 0.00 0.10 0.00 0.00 66.02 67.17 1gpx s SER 22 CO 0.34 -0.35 2.17 -0.07 0.98 0.00 0.00 173.24 176.31 1gpx h LEU 23 N 1.91 0.00 0.00 2.42 3.38 -1.65 -2.95 115.31 118.43 1gpx h LEU 23 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1gpx h LEU 23 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1gpx h LEU 23 CO 0.76 0.00 -0.02 -0.03 0.09 0.00 0.00 178.44 179.24 1gpx h MET 24 N 0.00 0.00 -0.09 1.13 4.05 -0.91 -3.21 114.93 115.89 1gpx h MET 24 Ca 0.03 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1gpx h MET 24 Cb 0.12 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1gpx h MET 24 CO -0.00 0.18 -0.05 0.94 0.23 0.00 0.00 176.91 178.20 1gpx n GLN 25 N -4.75 -0.04 -0.09 0.39 7.27 -1.12 0.37 117.38 119.41 1gpx n GLN 25 Ca -0.02 0.95 -0.11 0.00 0.07 0.00 0.00 57.00 57.89 1gpx n GLN 25 Cb 0.09 -1.42 -0.06 0.00 2.41 0.00 0.00 30.24 31.27 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 -0.76 -0.52 0.09 1.69 0.00 -1.74 -0.81 119.26 117.22 1gpx h ALA 26 Ca 0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1gpx h ALA 26 Cb 0.04 0.89 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1gpx h ALA 26 CO -0.09 -0.91 -0.39 0.00 0.00 0.00 0.00 179.25 177.86 1gpx h ALA 27 N 0.27 -0.67 -0.51 0.00 0.00 -0.92 0.45 119.26 117.88 1gpx h ALA 27 Ca 0.11 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1gpx h ALA 27 Cb 0.60 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1gpx h ALA 27 CO -0.52 -0.94 -0.30 0.28 0.00 0.00 0.00 179.25 177.76 1gpx n VAL 28 N -5.45 -0.34 -0.06 0.00 0.31 1.16 0.15 118.33 114.09 1gpx n VAL 28 Ca -0.07 1.62 -0.07 0.00 -0.01 0.00 0.00 64.34 65.81 1gpx n VAL 28 Cb 0.37 -2.04 -0.01 0.00 -0.91 0.00 0.00 33.84 31.25 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 -0.17 0.05 4.52 0.02 -0.75 0.62 113.55 117.84 1gpx h SER 29 Ca 0.08 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1gpx h SER 29 Cb 0.21 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1gpx h SER 29 CO -0.48 -0.05 0.00 0.59 -1.14 0.00 0.00 176.83 175.75 1gpx n ASN 30 N -5.19 0.00 0.00 3.07 3.02 0.31 -4.75 115.26 111.72 1gpx n ASN 30 Ca -0.01 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1gpx n ASN 30 Cb 0.15 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.16 2.19 0.58 7.41 0.00 0.38 -4.85 105.19 109.74 1gpx n GLY 31 Ca 0.01 0.00 0.41 0.00 0.00 0.00 0.00 46.02 46.44 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 0.24 -2.19 -0.61 2.04 -1.19 -1.22 117.51 114.58 1gpx h ILE 32 Ca 0.00 -0.01 -0.71 0.00 1.00 0.00 0.00 64.86 65.13 1gpx h ILE 32 Cb 0.00 0.19 -0.34 0.00 -0.74 0.00 0.00 36.82 35.94 1gpx h ILE 32 CO 0.00 0.01 0.30 -1.22 0.00 0.00 0.00 178.15 177.24 1gpx n TYR 33 N -4.20 3.31 -0.74 1.37 4.01 -1.26 -4.84 117.16 114.81 1gpx n TYR 33 Ca 0.34 -3.10 -0.11 0.00 -0.16 0.00 0.00 57.90 54.86 1gpx n TYR 33 Cb 1.51 -0.86 -0.11 0.00 -0.31 0.00 0.00 39.34 39.57 1gpx n TYR 33 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1gpx n ASP 34 N -0.20 4.05 -4.87 7.72 5.75 -0.46 -4.78 116.55 123.76 1gpx n ASP 34 Ca 0.41 -2.22 -0.28 0.00 -0.01 0.00 0.00 54.79 52.69 1gpx n ASP 34 Cb 0.33 -1.04 -0.03 0.00 -1.03 0.00 0.00 41.12 39.36 1gpx n ASP 34 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1gpx s ILE 35 N 1.78 1.50 -0.33 2.12 -5.25 -1.26 -5.11 121.20 114.65 1gpx s ILE 35 Ca 0.48 -1.64 0.04 0.00 -0.99 0.00 0.00 60.65 58.54 1gpx s ILE 35 Cb 0.21 -2.13 0.09 0.00 2.95 0.00 0.00 42.46 43.58 1gpx s ILE 35 CO -0.01 0.00 0.03 0.54 -1.79 0.00 0.00 174.94 173.72 1gpx s VAL 36 N -2.81 2.18 0.51 8.37 0.11 -1.26 -5.09 120.40 122.42 1gpx s VAL 36 Ca 0.25 -2.20 0.01 0.00 -2.93 0.00 0.00 61.98 57.12 1gpx s VAL 36 Cb -0.01 -2.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.26 1gpx s VAL 36 CO 0.16 -0.53 0.01 -0.83 -3.33 0.00 0.00 175.10 170.58 1gpx s GLY 37 N 0.97 3.05 0.00 6.54 0.00 -1.26 -4.63 107.32 111.99 1gpx s GLY 37 Ca 0.08 -0.27 0.24 0.00 0.00 0.00 0.00 44.72 44.77 1gpx s GLY 37 CO -0.09 -2.19 1.28 1.34 0.00 0.00 0.00 173.10 173.44 1gpx n ASP 38 N -1.29 3.07 -0.01 1.64 2.03 -1.14 -4.32 116.55 116.53 1gpx n ASP 38 Ca -0.20 -1.99 -0.08 0.00 0.52 0.00 0.00 54.79 53.05 1gpx n ASP 38 Cb 0.67 -0.05 0.10 0.00 -0.72 0.00 0.00 41.12 41.12 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gpx n GLY 40 N 0.00 -0.49 1.61 0.00 0.00 -1.26 0.27 105.19 105.32 1gpx n GLY 40 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.78 0.81 0.00 -0.02 0.00 -1.26 -4.95 105.19 98.99 1gpx n GLY 41 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1gpx n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gpx n SER 42 N 1.61 0.09 -1.63 1.61 2.88 0.76 -5.04 113.62 113.90 1gpx n SER 42 Ca 0.00 -1.03 -0.08 0.00 -1.33 0.00 0.00 58.87 56.43 1gpx n SER 42 Cb 0.49 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1gpx n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gpx n ALA 43 N -0.02 -0.51 -2.56 -1.46 0.00 -1.16 -4.97 120.51 109.84 1gpx n ALA 43 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 1gpx n ALA 43 Cb 0.38 -1.96 0.03 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.48 2.78 -4.43 0.00 2.88 -1.26 -4.58 113.62 108.52 1gpx n SER 44 Ca -0.02 -2.88 -0.33 0.00 -1.33 0.00 0.00 58.87 54.31 1gpx n SER 44 Cb 0.53 -0.46 -0.13 0.00 -0.75 0.00 0.00 64.21 63.39 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 3.51 2.47 -0.06 0.00 0.00 -1.26 -4.17 120.51 121.00 1gpx n ALA 46 Ca -0.18 -0.69 -0.08 0.00 0.00 0.00 0.00 53.44 52.49 1gpx n ALA 46 Cb 0.53 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 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 0.69 0.70 0.96 0.00 -2.24 -1.26 -4.56 114.28 108.56 1gpx n THR 47 Ca 0.16 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1gpx n THR 47 Cb 0.39 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1gpx n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gpx n HIS 49 N 0.22 0.83 -3.86 0.00 -0.00 -1.26 0.18 115.22 111.33 1gpx n HIS 49 Ca 0.00 0.78 -0.11 0.00 0.46 0.00 0.00 57.72 58.85 1gpx n HIS 49 Cb 0.34 -2.18 -0.09 0.00 -0.12 0.00 0.00 29.99 27.93 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 -0.62 0.10 -0.10 3.57 -7.23 0.80 -3.90 120.40 113.03 1gpx s VAL 50 Ca 0.68 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 60.06 1gpx s VAL 50 Cb -0.86 -0.73 0.01 0.00 0.56 0.00 0.00 36.38 35.36 1gpx s VAL 50 CO 0.56 -0.45 -0.20 -0.31 -0.31 0.00 0.00 175.10 174.39 1gpx s TYR 51 N -2.08 2.22 0.51 2.82 1.51 0.69 0.18 117.35 123.20 1gpx s TYR 51 Ca -0.09 -0.95 0.02 0.00 -1.01 0.00 0.00 57.07 55.04 1gpx s TYR 51 Cb -0.04 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1gpx s TYR 51 CO -0.01 -0.42 0.73 0.08 -1.11 0.00 0.00 175.55 174.81 1gpx s VAL 52 N 0.58 3.07 0.00 0.71 1.01 -1.23 0.26 120.40 124.79 1gpx s VAL 52 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1gpx s VAL 52 Cb -0.17 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1gpx s VAL 52 CO 0.05 -0.09 0.00 -0.46 0.00 0.00 0.00 175.10 174.60 1gpx n ASN 53 N -2.22 0.00 -0.01 3.32 0.23 -0.26 -4.85 115.26 111.47 1gpx n ASN 53 Ca 0.06 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.20 1gpx n ASN 53 Cb 0.59 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.16 1gpx n ASN 53 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1gpx n GLU 54 N 0.00 0.76 -0.12 -3.83 0.28 -1.26 -4.47 120.64 112.01 1gpx n GLU 54 Ca 0.00 -0.11 -0.15 0.00 -0.16 0.00 0.00 57.16 56.74 1gpx n GLU 54 Cb 0.00 -1.40 -0.13 0.00 1.43 0.00 0.00 31.44 31.34 1gpx n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gpx n ALA 55 N -1.88 1.47 0.92 -1.84 0.00 -1.26 -4.38 120.51 113.53 1gpx n ALA 55 Ca -0.01 -1.15 0.13 0.00 0.00 0.00 0.00 53.44 52.41 1gpx n ALA 55 Cb 0.41 -0.11 0.43 0.00 0.00 0.00 0.00 19.45 20.17 1gpx n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1gpx n PHE 56 N -3.08 0.16 0.06 0.00 3.01 -1.26 -3.56 117.46 112.79 1gpx n PHE 56 Ca -0.41 0.05 -0.06 0.00 1.01 0.00 0.00 57.45 58.04 1gpx n PHE 56 Cb 1.03 -0.48 -0.10 0.00 -0.01 0.00 0.00 39.48 39.91 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 1.45 0.00 4.37 1.35 -1.78 -2.93 112.91 115.38 1gpx h THR 57 Ca 0.00 -3.13 -0.14 0.00 -0.55 0.00 0.00 66.41 62.58 1gpx h THR 57 Cb 0.55 2.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.66 1gpx h THR 57 CO 0.00 0.83 -0.68 -2.24 -0.25 0.00 0.00 175.52 173.18 1gpx h ASP 58 N 0.00 0.00 0.00 5.36 3.04 -1.76 -3.34 116.42 119.72 1gpx h ASP 58 Ca -0.05 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.74 1gpx h ASP 58 Cb 1.75 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.04 1gpx h ASP 58 CO 0.11 0.68 -0.00 0.11 -2.04 0.00 0.00 179.24 178.10 1gpx h LYS 59 N 0.00 -0.00 -6.10 4.15 1.79 -1.63 -3.46 116.57 111.31 1gpx h LYS 59 Ca -0.01 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.88 1gpx h LYS 59 Cb 1.52 0.00 0.20 0.00 -1.58 0.00 0.00 32.23 32.37 1gpx h LYS 59 CO 0.09 0.84 -1.24 1.33 -1.08 0.00 0.00 179.45 179.39 1gpx n VAL 60 N -4.64 0.29 -0.97 0.50 0.24 -1.10 -4.88 118.33 107.77 1gpx n VAL 60 Ca -0.09 -0.48 -0.31 0.00 -2.04 0.00 0.00 64.34 61.42 1gpx n VAL 60 Cb 0.41 -0.12 0.14 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.57 1.45 -0.28 7.34 0.04 -1.26 -4.96 135.00 135.76 1gpx s PRO 61 Ca 0.53 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.59 1gpx s PRO 61 Cb -0.38 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1gpx s PRO 61 CO 0.70 -2.25 1.01 0.00 0.04 0.00 0.00 177.00 176.50 1gpx s ALA 62 N -2.77 3.58 0.87 8.56 0.00 -1.26 -5.00 121.76 125.73 1gpx s ALA 62 Ca 0.64 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 1gpx s ALA 62 Cb -0.20 -3.56 0.11 0.00 0.00 0.00 0.00 23.12 19.47 1gpx s ALA 62 CO 0.57 -1.26 1.09 0.00 0.00 0.00 0.00 175.76 176.17 1gpx s ALA 63 N 3.35 1.72 0.00 0.00 0.00 -1.26 -5.06 121.76 120.51 1gpx s ALA 63 Ca 0.43 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1gpx s ALA 63 Cb -0.14 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1gpx s ALA 63 CO 0.11 -2.21 0.00 0.27 0.00 0.00 0.00 175.76 173.93 1gpx n ASN 64 N -3.80 0.01 0.32 0.00 6.94 -1.26 -4.91 115.26 112.56 1gpx n ASN 64 Ca 0.07 -0.76 0.19 0.00 -0.02 0.00 0.00 54.58 54.07 1gpx n ASN 64 Cb 0.55 0.00 1.02 0.00 -2.36 0.00 0.00 39.78 38.99 1gpx n ASN 64 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1gpx h GLU 65 N 0.00 0.00 0.27 -3.83 4.11 -2.00 -2.25 114.58 110.87 1gpx h GLU 65 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 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 -0.13 -0.09 0.07 0.00 0.00 179.01 178.86 1gpx h ARG 66 N 0.00 -0.34 0.00 1.06 2.43 -1.94 -2.31 114.38 113.28 1gpx h ARG 66 Ca 0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1gpx h ARG 66 Cb 0.31 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1gpx h ARG 66 CO -0.00 -0.08 0.03 -1.91 -1.51 0.00 0.00 179.97 176.50 1gpx n GLU 67 N -5.15 0.07 0.00 0.20 4.07 -0.85 -0.84 120.64 118.14 1gpx n GLU 67 Ca -0.10 0.56 0.12 0.00 -0.06 0.00 0.00 57.16 57.68 1gpx n GLU 67 Cb 0.23 -1.77 0.22 0.00 -0.06 0.00 0.00 31.44 30.06 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 -1.89 0.00 0.00 6.31 -0.00 -0.88 -3.73 119.36 119.17 1gpx n ILE 68 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1gpx n ILE 68 Cb 0.04 0.32 0.00 0.00 -0.00 0.00 0.00 39.64 40.01 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 1.49 0.59 0.40 7.39 0.00 -0.02 -2.84 105.19 112.20 1gpx n GLY 69 Ca 0.06 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.39 0.00 1.61 -0.00 -1.82 2.75 114.93 117.86 1gpx h MET 70 Ca 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.65 1gpx h MET 70 Cb 0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 31.51 1gpx h MET 70 CO 0.00 0.26 -0.14 1.25 -0.00 0.00 0.00 176.91 178.28 1gpx h LEU 71 N 0.41 0.00 0.12 -0.10 6.46 -1.74 -2.87 115.31 117.58 1gpx h LEU 71 Ca 0.63 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 58.03 1gpx h LEU 71 Cb 1.54 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.46 1gpx h LEU 71 CO -0.36 0.14 -1.97 1.21 -0.62 0.00 0.00 178.44 176.83 1gpx n GLU 72 N -3.44 0.76 -0.29 1.25 2.13 0.86 -4.08 120.64 117.83 1gpx n GLU 72 Ca -0.01 0.27 0.10 0.00 0.66 0.00 0.00 57.16 58.18 1gpx n GLU 72 Cb 0.31 -1.72 0.26 0.00 0.27 0.00 0.00 31.44 30.57 1gpx n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gpx n VAL 74 N -5.06 4.40 -1.46 0.00 0.24 -1.16 -4.96 118.33 110.33 1gpx n VAL 74 Ca 0.19 -4.60 -0.46 0.00 -2.04 0.00 0.00 64.34 57.43 1gpx n VAL 74 Cb 0.57 -2.37 -0.09 0.00 -1.47 0.00 0.00 33.84 30.49 1gpx n VAL 74 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1gpx n THR 75 N 3.46 0.05 -3.04 3.34 5.66 -0.69 -4.82 114.28 118.24 1gpx n THR 75 Ca 0.38 -0.27 -0.24 0.00 -3.05 0.00 0.00 64.05 60.87 1gpx n THR 75 Cb 0.38 -1.40 -0.04 0.00 -1.55 0.00 0.00 70.33 67.71 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 11.09 3.84 -4.15 1.79 0.00 -1.26 -4.89 120.51 126.92 1gpx n ALA 76 Ca 0.50 -4.31 -0.40 0.00 0.00 0.00 0.00 53.44 49.23 1gpx n ALA 76 Cb 0.20 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 0.00 -0.49 -0.94 0.00 0.28 -1.26 -4.69 120.64 113.54 1gpx n GLU 77 Ca 0.29 0.05 -0.31 0.00 -0.16 0.00 0.00 57.16 57.03 1gpx n GLU 77 Cb 0.47 -2.74 -0.01 0.00 1.43 0.00 0.00 31.44 30.59 1gpx n GLU 77 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1gpx n LEU 78 N -4.78 -1.45 0.00 -1.84 4.32 -1.26 -4.98 117.00 107.01 1gpx n LEU 78 Ca -0.19 0.68 -0.15 0.00 -0.02 0.00 0.00 56.01 56.33 1gpx n LEU 78 Cb 0.59 -0.64 -0.05 0.00 -1.62 0.00 0.00 43.42 41.70 1gpx n LEU 78 CO 0.76 -2.52 -0.09 2.29 -1.22 0.00 0.00 177.39 176.60 1gpx n LYS 79 N 0.82 0.52 0.24 3.23 2.85 -1.26 -5.00 118.16 119.55 1gpx n LYS 79 Ca 0.10 -2.28 0.10 0.00 -1.05 0.00 0.00 58.31 55.18 1gpx n LYS 79 Cb 0.23 1.49 0.58 0.00 -0.65 0.00 0.00 35.03 36.68 1gpx n LYS 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1gpx h PRO 80 N 0.00 0.00 -0.20 -1.58 0.13 -2.01 -3.15 132.00 125.18 1gpx h PRO 80 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1gpx h PRO 80 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1gpx h PRO 80 CO 0.29 0.20 0.00 0.27 -0.23 0.00 0.00 178.00 178.53 1gpx n ASN 81 N -3.66 2.46 -4.67 1.44 6.94 -1.26 -5.00 115.26 111.52 1gpx n ASN 81 Ca -0.01 -1.79 -0.38 0.00 -0.02 0.00 0.00 54.58 52.38 1gpx n ASN 81 Cb 0.32 -0.13 0.06 0.00 -2.36 0.00 0.00 39.78 37.67 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 0.45 1.44 -2.97 0.53 7.64 -1.19 -3.53 113.62 115.98 1gpx n SER 82 Ca 0.09 0.84 -0.12 0.00 1.01 0.00 0.00 58.87 60.68 1gpx n SER 82 Cb 0.35 -1.47 -0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 -2.98 2.14 -0.09 1.43 1.81 0.48 -4.91 118.95 116.83 1gpx s ARG 83 Ca 0.78 -1.65 0.02 0.00 -1.72 0.00 0.00 55.73 53.16 1gpx s ARG 83 Cb -0.41 0.54 -0.02 0.00 -0.45 0.00 0.00 34.95 34.62 1gpx s ARG 83 CO 0.45 -0.95 -0.15 -1.17 -0.68 0.00 0.00 175.30 172.79 1gpx s LEU 84 N -3.17 2.63 0.58 2.53 0.20 -1.26 0.28 118.68 120.48 1gpx s LEU 84 Ca 0.23 -0.30 0.39 0.00 0.69 0.00 0.00 54.13 55.15 1gpx s LEU 84 Cb -0.03 -1.55 1.37 0.00 -0.43 0.00 0.00 46.19 45.54 1gpx s LEU 84 CO 0.17 0.25 1.46 0.28 -0.29 0.00 0.00 176.35 178.22 1gpx h SER 85 N 6.04 0.00 -1.43 3.68 0.02 0.16 0.20 113.55 122.22 1gpx h SER 85 Ca -0.35 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.92 1gpx h SER 85 Cb 1.18 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.39 1gpx h SER 85 CO 0.52 0.00 0.38 0.00 -1.14 0.00 0.00 176.83 176.59 1gpx n GLN 87 N -0.66 0.00 -3.06 0.00 1.13 0.71 -2.98 117.38 112.53 1gpx n GLN 87 Ca 0.52 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 55.25 1gpx n GLN 87 Cb 0.55 -0.48 -0.06 0.00 0.11 0.00 0.00 30.24 30.36 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 -1.94 4.59 0.28 5.09 1.01 -1.26 -4.96 121.20 124.01 1gpx s ILE 88 Ca 0.00 1.11 0.09 0.00 0.00 0.00 0.00 60.65 61.85 1gpx s ILE 88 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1gpx s ILE 88 CO 0.00 -0.18 0.08 -0.63 0.00 0.00 0.00 174.94 174.21 1gpx s ILE 89 N -1.99 3.62 -0.39 2.92 -1.09 -1.26 -3.13 121.20 119.88 1gpx s ILE 89 Ca 0.55 -1.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.17 1gpx s ILE 89 Cb -0.11 -3.01 0.08 0.00 -1.58 0.00 0.00 42.46 37.85 1gpx s ILE 89 CO 0.17 -0.33 0.20 -0.32 -1.23 0.00 0.00 174.94 173.42 1gpx s MET 90 N -3.75 2.38 0.49 2.79 1.75 0.72 -4.85 119.30 118.83 1gpx s MET 90 Ca 0.33 -1.54 -0.02 0.00 -1.25 0.00 0.00 55.69 53.21 1gpx s MET 90 Cb -0.06 -3.61 -0.00 0.00 2.84 0.00 0.00 34.83 33.99 1gpx s MET 90 CO 0.22 -0.93 0.74 0.95 -0.65 0.00 0.00 175.02 175.34 1gpx s THR 91 N 1.31 3.97 -1.93 10.11 -4.23 -1.26 -2.97 115.64 120.64 1gpx s THR 91 Ca 0.03 -0.33 0.19 0.00 -1.18 0.00 0.00 61.69 60.40 1gpx s THR 91 Cb -0.22 -3.50 0.51 0.00 1.34 0.00 0.00 72.50 70.63 1gpx s THR 91 CO -0.00 -0.40 1.53 -0.81 -0.54 0.00 0.00 174.62 174.39 1gpx n PRO 92 N -2.22 0.55 -0.04 3.99 -0.04 -1.26 -2.60 135.00 133.39 1gpx n PRO 92 Ca 0.02 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 1gpx n PRO 92 Cb 0.57 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.03 1.87 -2.24 0.54 0.28 -1.26 -4.62 120.64 114.17 1gpx n GLU 93 Ca 0.14 -0.03 -0.40 0.00 -0.16 0.00 0.00 57.16 56.71 1gpx n GLU 93 Cb 0.07 -1.26 0.03 0.00 1.43 0.00 0.00 31.44 31.72 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 -2.25 7.43 -4.88 -1.84 4.77 -1.07 -4.99 117.00 114.17 1gpx n LEU 94 Ca -0.13 -5.08 -0.34 0.00 -0.03 0.00 0.00 56.01 50.42 1gpx n LEU 94 Cb 0.70 -1.11 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 1gpx n LEU 94 CO 0.22 1.89 -0.17 -0.62 -1.33 0.00 0.00 177.39 177.37 1gpx s ASP 95 N -1.22 6.28 0.00 -1.43 2.15 -1.25 -4.39 116.67 116.81 1gpx s ASP 95 Ca 0.46 0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.80 1gpx s ASP 95 Cb 0.33 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.98 1gpx s ASP 95 CO -0.29 0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 1gpx n GLY 96 N 1.33 1.44 3.65 2.66 0.00 0.45 -4.71 105.19 110.00 1gpx n GLY 96 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 4.43 -0.08 -0.61 -1.16 -0.54 -4.86 121.20 116.37 1gpx s ILE 97 Ca 0.00 1.69 -0.28 0.00 -0.51 0.00 0.00 60.65 61.55 1gpx s ILE 97 Cb 0.00 -4.21 -0.02 0.00 0.61 0.00 0.00 42.46 38.84 1gpx s ILE 97 CO 0.00 -0.28 0.91 -0.69 -2.81 0.00 0.00 174.94 172.07 1gpx s VAL 98 N 3.59 4.87 0.33 4.00 1.01 -1.26 -0.75 120.40 132.19 1gpx s VAL 98 Ca 0.50 1.86 0.04 0.00 0.00 0.00 0.00 61.98 64.38 1gpx s VAL 98 Cb -0.17 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.02 1gpx s VAL 98 CO 0.14 0.09 0.37 0.52 0.00 0.00 0.00 175.10 176.22 1gpx n VAL 99 N 4.28 0.00 -3.63 2.92 0.31 0.75 -1.10 118.33 121.86 1gpx n VAL 99 Ca 0.05 -1.19 -0.11 0.00 -0.01 0.00 0.00 64.34 63.09 1gpx n VAL 99 Cb 0.50 -0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 32.85 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 -3.00 -0.76 0.01 4.52 1.01 0.72 -2.67 116.67 116.50 1gpx s ASP 100 Ca 0.28 1.37 -0.18 0.00 0.71 0.00 0.00 52.55 54.74 1gpx s ASP 100 Cb -0.02 1.37 -0.06 0.00 1.01 0.00 0.00 42.92 45.22 1gpx s ASP 100 CO 0.18 -0.23 0.51 -0.69 0.21 0.00 0.00 175.17 175.15 1gpx s VAL 101 N 0.77 4.91 -0.47 -1.27 1.01 0.73 0.25 120.40 126.33 1gpx s VAL 101 Ca -0.03 1.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.74 1gpx s VAL 101 Cb -0.05 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1gpx s VAL 101 CO -0.07 0.51 1.06 -2.16 0.00 0.00 0.00 175.10 174.44 1gpx s PRO 102 N -0.74 3.65 -0.90 2.72 0.04 -1.25 -2.81 135.00 135.71 1gpx s PRO 102 Ca 0.27 0.41 -0.01 0.00 0.04 0.00 0.00 61.00 61.71 1gpx s PRO 102 Cb -0.18 -3.91 0.22 0.00 0.04 0.00 0.00 34.50 30.67 1gpx s PRO 102 CO 0.16 -1.32 0.79 -0.25 0.04 0.00 0.00 177.00 176.42 1gpx n ASP 103 N 7.58 4.20 -4.16 6.66 9.92 -1.26 -4.97 116.55 134.51 1gpx n ASP 103 Ca 0.10 -3.14 -0.38 0.00 -0.53 0.00 0.00 54.79 50.83 1gpx n ASP 103 Cb 0.49 -1.04 -0.10 0.00 -0.64 0.00 0.00 41.12 39.82 1gpx n ASP 103 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1gpx s ARG 104 N -1.41 2.22 -0.16 -1.24 3.00 -1.26 -4.89 118.95 115.20 1gpx s ARG 104 Ca 0.28 -1.80 0.16 0.00 0.00 0.00 0.00 55.73 54.36 1gpx s ARG 104 Cb -0.07 -3.74 0.34 0.00 0.00 0.00 0.00 34.95 31.49 1gpx s ARG 104 CO -0.13 -1.13 1.18 0.94 0.00 0.00 0.00 175.30 176.16 1gpx n GLN 105 N 4.73 1.41 0.00 3.54 7.27 -1.26 -5.01 117.38 128.06 1gpx n GLN 105 Ca -0.05 -2.88 0.00 0.00 0.07 0.00 0.00 57.00 54.15 1gpx n GLN 105 Cb 0.41 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.51 1gpx n GLN 105 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04