#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 3.33 0.01 1.43 2.47 -1.26 -1.56 119.74 124.16 1gpx s LYS 2 Ca 0.00 -0.26 0.03 0.00 -1.56 0.00 0.00 55.97 54.18 1gpx s LYS 2 Cb 0.00 -3.95 -0.03 0.00 -1.46 0.00 0.00 37.83 32.38 1gpx s LYS 2 CO 0.00 -1.09 -0.04 0.08 0.16 0.00 0.00 175.35 174.46 1gpx s VAL 3 N 3.08 3.85 -0.08 4.02 1.01 0.56 0.28 120.40 133.12 1gpx s VAL 3 Ca 0.26 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1gpx s VAL 3 Cb -0.13 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1gpx s VAL 3 CO 0.21 0.37 -0.07 -0.69 0.00 0.00 0.00 175.10 174.91 1gpx s VAL 4 N -1.05 0.89 -0.13 2.92 1.01 -0.35 0.20 120.40 123.88 1gpx s VAL 4 Ca 0.18 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1gpx s VAL 4 Cb -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1gpx s VAL 4 CO 0.09 0.32 0.13 -0.31 0.00 0.00 0.00 175.10 175.34 1gpx s TYR 5 N 1.28 3.55 -0.12 5.22 2.02 0.81 0.15 117.35 130.27 1gpx s TYR 5 Ca -0.04 0.48 0.03 0.00 -0.37 0.00 0.00 57.07 57.17 1gpx s TYR 5 Cb -0.14 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 1gpx s TYR 5 CO -0.03 0.66 -0.22 0.08 -1.57 0.00 0.00 175.55 174.48 1gpx s VAL 6 N -0.83 1.97 0.00 0.71 1.01 -1.12 0.28 120.40 122.42 1gpx s VAL 6 Ca 0.14 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1gpx s VAL 6 Cb -0.12 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1gpx s VAL 6 CO 0.03 0.54 0.00 -1.54 0.00 0.00 0.00 175.10 174.13 1gpx n SER 7 N 3.82 0.00 -0.75 3.32 3.41 0.01 0.30 113.62 123.74 1gpx n SER 7 Ca -0.20 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.52 1gpx n SER 7 Cb 0.52 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.98 7.33 1.44 -1.22 -3.95 115.22 119.79 1gpx n HIS 8 Ca 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 1gpx n HIS 8 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 1gpx n HIS 8 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1gpx n ASP 9 N 0.90 2.04 0.00 4.39 -0.08 -1.26 -4.96 116.55 117.58 1gpx n ASP 9 Ca 0.11 -1.52 0.00 0.00 -1.51 0.00 0.00 54.79 51.87 1gpx n ASP 9 Cb 0.50 0.46 0.00 0.00 2.34 0.00 0.00 41.12 44.42 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 1.40 1.93 3.61 0.27 0.00 -1.26 -5.05 105.19 106.08 1gpx n GLY 10 Ca 0.09 -0.18 -0.50 0.00 0.00 0.00 0.00 46.02 45.43 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 0.12 -5.26 2.61 5.66 -1.26 -4.65 114.28 111.50 1gpx n THR 11 Ca 0.00 -0.03 -0.32 0.00 -3.05 0.00 0.00 64.05 60.66 1gpx n THR 11 Cb 0.00 -0.99 -0.17 0.00 -1.55 0.00 0.00 70.33 67.62 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 0.46 2.64 0.21 1.09 0.52 -1.26 -0.81 118.95 121.81 1gpx s ARG 12 Ca 0.82 -0.90 0.08 0.00 -0.52 0.00 0.00 55.73 55.21 1gpx s ARG 12 Cb -0.88 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1gpx s ARG 12 CO 0.45 0.34 0.00 0.50 0.02 0.00 0.00 175.30 176.62 1gpx s ARG 13 N -0.07 2.37 -0.08 3.54 3.52 0.81 -4.87 118.95 124.18 1gpx s ARG 13 Ca -0.07 -1.22 0.01 0.00 -0.13 0.00 0.00 55.73 54.32 1gpx s ARG 13 Cb -0.15 -2.28 0.02 0.00 -1.56 0.00 0.00 34.95 30.98 1gpx s ARG 13 CO 0.05 0.42 -0.08 -1.21 -0.81 0.00 0.00 175.30 173.67 1gpx s GLU 14 N -3.24 1.35 0.12 5.12 2.02 -1.26 0.28 118.70 123.09 1gpx s GLU 14 Ca 0.29 -0.24 0.10 0.00 0.02 0.00 0.00 54.97 55.14 1gpx s GLU 14 Cb -0.08 -1.31 -0.04 0.00 0.10 0.00 0.00 34.13 32.80 1gpx s GLU 14 CO 0.19 -0.13 -0.24 -0.51 0.02 0.00 0.00 175.26 174.59 1gpx s LEU 15 N 1.22 2.43 -0.85 1.80 1.43 0.53 -4.95 118.68 120.30 1gpx s LEU 15 Ca -0.05 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1gpx s LEU 15 Cb -0.14 -1.33 0.22 0.00 0.03 0.00 0.00 46.19 44.97 1gpx s LEU 15 CO -0.02 0.19 0.78 -1.81 0.23 0.00 0.00 176.35 175.71 1gpx s ASP 16 N -2.00 6.56 0.48 2.29 1.01 -1.26 -0.32 116.67 123.43 1gpx s ASP 16 Ca 0.15 -2.95 0.07 0.00 0.71 0.00 0.00 52.55 50.53 1gpx s ASP 16 Cb -0.10 -2.13 0.03 0.00 1.01 0.00 0.00 42.92 41.73 1gpx s ASP 16 CO 0.07 -0.46 0.65 -0.69 0.21 0.00 0.00 175.17 174.95 1gpx s VAL 17 N -0.23 2.77 0.00 -1.27 1.01 -0.60 -4.85 120.40 117.23 1gpx s VAL 17 Ca 0.21 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1gpx s VAL 17 Cb -0.12 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.43 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 -2.03 0.00 -2.89 5.51 0.00 -1.26 0.28 120.51 120.12 1gpx n ALA 18 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 1gpx n ALA 18 Cb 0.60 0.00 -0.11 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 1.00 5.41 0.00 0.00 -4.77 -1.23 -3.81 116.67 113.27 1gpx s ASP 19 Ca 0.00 -0.04 0.00 0.00 -3.30 0.00 0.00 52.55 49.21 1gpx s ASP 19 Cb 0.00 -1.95 0.00 0.00 -1.09 0.00 0.00 42.92 39.88 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 4.13 0.79 4.00 2.12 0.00 -1.14 -5.02 105.19 110.07 1gpx n GLY 20 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 3.06 0.26 1.61 1.01 -1.26 -4.87 120.40 118.21 1gpx s VAL 21 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1gpx s VAL 21 Cb 0.00 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1gpx s VAL 21 CO 0.00 -0.02 0.01 -1.54 0.00 0.00 0.00 175.10 173.55 1gpx n SER 22 N -1.91 2.55 0.12 3.32 3.41 -1.26 0.16 113.62 120.01 1gpx n SER 22 Ca 0.07 -2.18 -0.19 0.00 -0.26 0.00 0.00 58.87 56.31 1gpx n SER 22 Cb 0.59 0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 64.63 1gpx n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gpx h LEU 23 N 0.00 0.59 0.00 1.04 3.38 -1.61 -3.11 115.31 115.60 1gpx h LEU 23 Ca -0.22 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1gpx h LEU 23 Cb 0.67 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1gpx h LEU 23 CO 0.36 1.49 0.00 0.80 0.09 0.00 0.00 178.44 181.18 1gpx n MET 24 N -3.61 0.98 0.00 1.13 1.56 -0.02 -3.14 117.12 114.02 1gpx n MET 24 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.31 1gpx n MET 24 Cb 1.05 -1.05 0.00 0.00 2.15 0.00 0.00 33.22 35.37 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 -0.55 0.00 -0.10 2.12 7.27 -1.18 -3.49 117.38 121.45 1gpx n GLN 25 Ca 0.02 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.02 1gpx n GLN 25 Cb 0.01 -0.41 -0.01 0.00 2.41 0.00 0.00 30.24 32.24 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 -1.80 -0.12 -0.18 1.69 0.00 -1.70 0.10 119.26 117.25 1gpx h ALA 26 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1gpx h ALA 26 Cb 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1gpx h ALA 26 CO 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 179.25 178.41 1gpx h ALA 27 N 0.83 -0.03 -0.95 0.00 0.00 -1.81 0.10 119.26 117.41 1gpx h ALA 27 Ca 0.17 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1gpx h ALA 27 Cb 0.51 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 1gpx h ALA 27 CO -0.49 -0.59 -0.49 0.28 0.00 0.00 0.00 179.25 177.96 1gpx n VAL 28 N -5.31 -0.59 0.05 0.00 0.31 -0.07 0.11 118.33 112.84 1gpx n VAL 28 Ca -0.02 2.26 -0.12 0.00 -0.01 0.00 0.00 64.34 66.45 1gpx n VAL 28 Cb 0.22 -2.86 -0.07 0.00 -0.91 0.00 0.00 33.84 30.22 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 -0.05 0.00 4.52 0.02 -0.42 0.98 113.55 118.60 1gpx h SER 29 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1gpx h SER 29 Cb 0.45 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1gpx h SER 29 CO -0.91 -0.03 0.00 0.59 -1.14 0.00 0.00 176.83 175.34 1gpx n ASN 30 N -5.11 0.00 0.00 3.07 3.02 0.14 -4.74 115.26 111.63 1gpx n ASN 30 Ca -0.07 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1gpx n ASN 30 Cb 0.05 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.39 2.37 0.33 7.41 0.00 0.30 -4.87 105.19 109.34 1gpx n GLY 31 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 0.11 -2.06 -0.61 2.04 -1.17 0.17 117.51 116.00 1gpx h ILE 32 Ca 0.00 -0.04 -0.78 0.00 1.00 0.00 0.00 64.86 65.04 1gpx h ILE 32 Cb 0.00 -0.02 -0.26 0.00 -0.74 0.00 0.00 36.82 35.80 1gpx h ILE 32 CO 0.00 0.02 1.11 -1.22 0.00 0.00 0.00 178.15 178.06 1gpx n TYR 33 N -5.18 2.78 0.56 1.37 4.01 -1.24 -4.67 117.16 114.79 1gpx n TYR 33 Ca 0.36 -2.48 0.05 0.00 -0.16 0.00 0.00 57.90 55.67 1gpx n TYR 33 Cb 1.18 -1.24 0.28 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.07 0.00 -0.57 7.72 5.75 0.60 -4.57 116.55 125.40 1gpx n ASP 34 Ca 0.50 -0.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1gpx n ASP 34 Cb 0.26 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1gpx n ASP 34 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gpx n ILE 35 N -1.13 0.00 -2.75 2.12 3.06 -1.26 -4.96 119.36 114.44 1gpx n ILE 35 Ca 0.06 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.90 1gpx n ILE 35 Cb 0.06 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.19 1gpx n ILE 35 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1gpx s VAL 36 N 0.00 4.51 -0.55 9.51 -7.23 -1.26 -4.97 120.40 120.41 1gpx s VAL 36 Ca 0.00 2.04 0.05 0.00 -1.81 0.00 0.00 61.98 62.26 1gpx s VAL 36 Cb 0.00 -4.31 0.36 0.00 0.56 0.00 0.00 36.38 32.99 1gpx s VAL 36 CO 0.00 0.32 0.99 0.61 -0.31 0.00 0.00 175.10 176.71 1gpx n GLY 37 N 2.25 5.71 0.04 2.32 0.00 -1.26 -4.81 105.19 109.43 1gpx n GLY 37 Ca 0.02 -2.78 0.04 0.00 0.00 0.00 0.00 46.02 43.30 1gpx n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gpx n ASP 38 N -0.30 0.11 -0.01 1.61 9.92 -1.26 -4.14 116.55 122.48 1gpx n ASP 38 Ca 0.33 -1.75 -0.02 0.00 -0.53 0.00 0.00 54.79 52.82 1gpx n ASP 38 Cb 0.46 -0.01 -0.01 0.00 -0.64 0.00 0.00 41.12 40.92 1gpx n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gpx n GLY 40 N 2.56 -0.38 1.73 0.00 0.00 -1.26 -0.90 105.19 106.95 1gpx n GLY 40 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.12 0.67 0.37 -0.02 0.00 -1.26 -4.95 105.19 97.87 1gpx n GLY 41 Ca -0.26 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 1.73 2.04 -2.12 1.61 2.88 -0.08 -5.08 113.62 114.61 1gpx n SER 42 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 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 -2.40 -1.15 -0.63 -1.46 0.00 -1.24 -4.98 120.51 108.66 1gpx n ALA 43 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1gpx n ALA 43 Cb 0.36 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1gpx n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1gpx n SER 44 N -2.08 0.67 -4.60 0.00 3.41 -1.26 -4.64 113.62 105.11 1gpx n SER 44 Ca -0.05 -1.30 -0.29 0.00 -0.26 0.00 0.00 58.87 56.97 1gpx n SER 44 Cb 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 1gpx n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpx n ALA 46 N 0.42 2.28 -0.29 0.00 0.00 -1.25 -4.36 120.51 117.31 1gpx n ALA 46 Ca -0.12 -1.14 0.10 0.00 0.00 0.00 0.00 53.44 52.28 1gpx n ALA 46 Cb 0.53 -0.62 0.27 0.00 0.00 0.00 0.00 19.45 19.64 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 0.96 0.98 -0.51 0.00 -2.24 -1.26 -4.18 114.28 108.02 1gpx n THR 47 Ca 0.16 -0.99 0.06 0.00 -2.27 0.00 0.00 64.05 61.01 1gpx n THR 47 Cb 0.49 0.52 0.13 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.44 -0.43 -3.84 0.00 -0.00 -1.26 0.26 115.22 109.52 1gpx n HIS 49 Ca 0.12 0.87 -0.10 0.00 0.46 0.00 0.00 57.72 59.06 1gpx n HIS 49 Cb 0.53 -1.98 -0.08 0.00 -0.12 0.00 0.00 29.99 28.34 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 -1.12 0.11 -0.16 3.57 -7.23 0.70 -4.07 120.40 112.20 1gpx s VAL 50 Ca 0.63 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.88 1gpx s VAL 50 Cb -0.84 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.12 1gpx s VAL 50 CO 0.58 -0.51 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.35 1gpx s TYR 51 N -2.82 2.63 0.59 2.82 2.02 0.85 -1.01 117.35 122.43 1gpx s TYR 51 Ca -0.03 -1.48 -0.00 0.00 -0.37 0.00 0.00 57.07 55.18 1gpx s TYR 51 Cb 0.00 -1.83 0.05 0.00 -0.40 0.00 0.00 41.96 39.78 1gpx s TYR 51 CO -0.05 -0.73 0.84 0.08 -1.57 0.00 0.00 175.55 174.11 1gpx s VAL 52 N 1.20 2.55 0.00 0.71 1.01 -1.26 0.26 120.40 124.87 1gpx s VAL 52 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1gpx s VAL 52 Cb -0.14 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1gpx s VAL 52 CO -0.10 0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.54 1gpx n ASN 53 N -2.49 0.00 -0.00 3.32 0.23 -0.46 -4.85 115.26 111.01 1gpx n ASN 53 Ca 0.09 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.23 1gpx n ASN 53 Cb 0.60 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.18 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 0.79 -0.12 -3.83 0.28 -1.26 -4.45 120.64 112.05 1gpx n GLU 54 Ca 0.00 -0.08 -0.16 0.00 -0.16 0.00 0.00 57.16 56.76 1gpx n GLU 54 Cb 0.00 -1.40 -0.12 0.00 1.43 0.00 0.00 31.44 31.35 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 -1.78 1.47 0.90 -1.84 0.00 -1.26 -4.34 120.51 113.65 1gpx n ALA 55 Ca 0.00 -1.12 0.13 0.00 0.00 0.00 0.00 53.44 52.45 1gpx n ALA 55 Cb 0.38 -0.10 0.42 0.00 0.00 0.00 0.00 19.45 20.15 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 -3.15 0.19 -0.06 0.00 3.01 -1.26 -3.77 117.46 112.43 1gpx n PHE 56 Ca -0.42 0.06 -0.16 0.00 1.01 0.00 0.00 57.45 57.93 1gpx n PHE 56 Cb 1.01 -0.50 -0.13 0.00 -0.01 0.00 0.00 39.48 39.85 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 1.63 0.00 4.37 1.35 -1.79 -2.50 112.91 115.97 1gpx h THR 57 Ca 0.00 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 1gpx h THR 57 Cb 0.56 3.21 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1gpx h THR 57 CO 0.00 0.59 0.00 -0.90 -0.25 0.00 0.00 175.52 174.96 1gpx n ASP 58 N -4.51 0.43 -0.11 5.36 5.75 -1.25 -2.66 116.55 119.56 1gpx n ASP 58 Ca -0.14 0.69 -0.20 0.00 -0.01 0.00 0.00 54.79 55.13 1gpx n ASP 58 Cb 0.56 -0.75 -0.09 0.00 -1.03 0.00 0.00 41.12 39.82 1gpx n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1gpx n LYS 59 N -2.06 0.55 -0.86 0.11 4.76 -1.23 -4.96 118.16 114.48 1gpx n LYS 59 Ca -0.01 0.45 -0.35 0.00 -2.87 0.00 0.00 58.31 55.54 1gpx n LYS 59 Cb 0.05 -1.64 0.09 0.00 -1.84 0.00 0.00 35.03 31.69 1gpx n LYS 59 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1gpx n VAL 60 N -4.42 0.00 -1.10 -0.18 0.24 -0.94 -4.90 118.33 107.03 1gpx n VAL 60 Ca -0.32 -0.23 -0.31 0.00 -2.04 0.00 0.00 64.34 61.44 1gpx n VAL 60 Cb 0.65 -0.31 0.12 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.78 1.71 -0.09 7.34 0.04 -1.26 -4.98 135.00 134.98 1gpx s PRO 61 Ca 0.47 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 1gpx s PRO 61 Cb -0.09 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1gpx s PRO 61 CO 0.70 -2.03 0.95 0.00 0.04 0.00 0.00 177.00 176.66 1gpx s ALA 62 N -2.84 3.37 0.73 8.56 0.00 -1.26 -4.92 121.76 125.40 1gpx s ALA 62 Ca 0.63 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 1gpx s ALA 62 Cb -0.19 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.62 1gpx s ALA 62 CO 0.57 -0.51 1.10 0.00 0.00 0.00 0.00 175.76 176.92 1gpx s ALA 63 N 1.77 2.33 0.00 0.00 0.00 -1.26 -5.05 121.76 119.54 1gpx s ALA 63 Ca 0.47 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1gpx s ALA 63 Cb -0.18 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1gpx s ALA 63 CO 0.19 -1.59 0.00 0.27 0.00 0.00 0.00 175.76 174.63 1gpx n ASN 64 N -3.08 0.02 0.30 0.00 6.94 -1.26 -4.97 115.26 113.22 1gpx n ASN 64 Ca 0.10 -0.82 0.20 0.00 -0.02 0.00 0.00 54.58 54.04 1gpx n ASN 64 Cb 0.53 0.00 0.94 0.00 -2.36 0.00 0.00 39.78 38.88 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 0.25 -3.83 -0.00 -2.00 -2.83 114.58 106.17 1gpx h GLU 65 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1gpx h GLU 65 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1gpx h GLU 65 CO 0.00 0.00 -0.12 -0.09 -0.00 0.00 0.00 179.01 178.80 1gpx h ARG 66 N 0.00 -0.33 -0.30 1.06 1.12 -1.93 -3.15 114.38 110.85 1gpx h ARG 66 Ca 0.00 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.91 1gpx h ARG 66 Cb 0.25 0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 1gpx h ARG 66 CO 0.00 -0.07 0.16 1.49 -3.11 0.00 0.00 179.97 178.44 1gpx h GLU 67 N -0.55 0.33 -0.76 0.20 4.81 -1.76 -2.13 114.58 114.72 1gpx h GLU 67 Ca -0.03 -0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.39 1gpx h GLU 67 Cb 0.40 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1gpx h GLU 67 CO 0.06 0.22 0.77 0.82 -0.73 0.00 0.00 179.01 180.14 1gpx h ILE 68 N 0.34 0.25 0.00 2.32 5.03 -1.50 0.74 117.51 124.69 1gpx h ILE 68 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 1gpx h ILE 68 Cb 0.02 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 34.21 1gpx h ILE 68 CO -0.07 0.00 -0.11 0.61 -0.68 0.00 0.00 178.15 177.90 1gpx n GLY 69 N -1.61 -0.62 0.30 5.37 0.00 -0.82 -2.55 105.19 105.26 1gpx n GLY 69 Ca 0.16 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.21 0.32 0.00 1.61 -0.00 -1.29 2.19 114.93 117.54 1gpx h MET 70 Ca 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.70 59.63 1gpx h MET 70 Cb 0.11 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.63 1gpx h MET 70 CO 0.00 0.21 -0.22 1.25 -0.00 0.00 0.00 176.91 178.15 1gpx h LEU 71 N 0.33 0.00 0.00 -0.10 6.46 0.30 -2.73 115.31 119.57 1gpx h LEU 71 Ca 0.51 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 58.09 1gpx h LEU 71 Cb 0.93 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.83 1gpx h LEU 71 CO -0.54 0.22 -1.49 1.21 -0.62 0.00 0.00 178.44 177.22 1gpx n GLU 72 N -3.57 0.63 -0.32 1.25 2.13 0.55 -4.14 120.64 117.15 1gpx n GLU 72 Ca -0.01 0.20 0.15 0.00 0.66 0.00 0.00 57.16 58.17 1gpx n GLU 72 Cb 0.37 -1.78 0.35 0.00 0.27 0.00 0.00 31.44 30.64 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 -5.83 4.90 -0.85 0.00 -7.23 -1.25 -4.95 120.40 105.19 1gpx s VAL 74 Ca -0.11 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 57.86 1gpx s VAL 74 Cb 0.26 -4.79 -0.20 0.00 0.56 0.00 0.00 36.38 32.21 1gpx s VAL 74 CO 0.79 -1.50 2.46 1.07 -0.31 0.00 0.00 175.10 177.61 1gpx n THR 75 N 5.10 -0.02 -2.45 5.32 5.66 -1.10 -4.74 114.28 122.05 1gpx n THR 75 Ca 0.27 -0.39 -0.21 0.00 -3.05 0.00 0.00 64.05 60.66 1gpx n THR 75 Cb 0.47 -1.16 0.01 0.00 -1.55 0.00 0.00 70.33 68.10 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 11.89 4.58 -4.09 1.79 0.00 -1.26 -4.94 120.51 128.47 1gpx n ALA 76 Ca 0.57 -3.89 -0.47 0.00 0.00 0.00 0.00 53.44 49.65 1gpx n ALA 76 Cb 0.24 -0.60 0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.45 -0.21 -0.53 0.00 0.28 -1.26 -4.60 120.64 113.87 1gpx n GLU 77 Ca 0.32 0.05 -0.19 0.00 -0.16 0.00 0.00 57.16 57.18 1gpx n GLU 77 Cb 0.76 -2.38 -0.02 0.00 1.43 0.00 0.00 31.44 31.23 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 -5.03 -0.22 -4.94 -1.84 7.94 -1.26 -4.94 117.00 106.71 1gpx n LEU 78 Ca -0.11 0.41 -0.21 0.00 -1.11 0.00 0.00 56.01 54.99 1gpx n LEU 78 Cb 0.56 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1gpx n LEU 78 CO 0.74 -0.88 0.11 -0.54 -1.11 0.00 0.00 177.39 175.71 1gpx s LYS 79 N -0.17 2.47 0.35 1.96 1.02 -1.26 -4.98 119.74 119.13 1gpx s LYS 79 Ca 0.28 -1.61 0.13 0.00 0.02 0.00 0.00 55.97 54.79 1gpx s LYS 79 Cb -0.40 -2.44 0.65 0.00 -0.52 0.00 0.00 37.83 35.11 1gpx s LYS 79 CO 0.20 -0.44 1.76 -1.00 -0.92 0.00 0.00 175.35 174.96 1gpx h PRO 80 N 0.72 0.00 -0.02 -1.68 0.13 -2.01 -3.04 132.00 126.10 1gpx h PRO 80 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1gpx h PRO 80 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1gpx h PRO 80 CO 0.52 0.43 -0.15 0.27 -0.23 0.00 0.00 178.00 178.84 1gpx n ASN 81 N -3.92 1.92 -4.29 1.44 6.94 -1.26 -5.02 115.26 111.07 1gpx n ASN 81 Ca -0.01 -1.46 -0.34 0.00 -0.02 0.00 0.00 54.58 52.75 1gpx n ASN 81 Cb 0.47 0.23 0.11 0.00 -2.36 0.00 0.00 39.78 38.23 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 0.37 -3.00 -3.61 0.53 7.64 -1.15 -4.24 113.62 110.14 1gpx n SER 82 Ca 0.08 0.22 -0.01 0.00 1.01 0.00 0.00 58.87 60.17 1gpx n SER 82 Cb 0.35 -1.05 -0.01 0.00 -1.01 0.00 0.00 64.21 62.49 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 -3.19 0.38 0.34 1.43 6.06 -0.18 -4.93 118.95 118.86 1gpx s ARG 83 Ca 0.52 -0.19 -0.19 0.00 -2.50 0.00 0.00 55.73 53.38 1gpx s ARG 83 Cb -0.18 0.14 -0.10 0.00 0.06 0.00 0.00 34.95 34.88 1gpx s ARG 83 CO 0.70 -0.17 0.83 -1.17 -2.50 0.00 0.00 175.30 173.00 1gpx s LEU 84 N -2.69 4.09 0.57 -0.88 0.20 -1.26 0.25 118.68 118.97 1gpx s LEU 84 Ca 0.12 1.50 0.31 0.00 0.69 0.00 0.00 54.13 56.76 1gpx s LEU 84 Cb 0.03 -4.16 1.42 0.00 -0.43 0.00 0.00 46.19 43.05 1gpx s LEU 84 CO -0.04 -0.21 1.78 0.28 -0.29 0.00 0.00 176.35 177.87 1gpx h SER 85 N 2.41 0.00 -1.25 3.68 0.02 0.34 0.47 113.55 119.22 1gpx h SER 85 Ca -0.48 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.81 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 0.64 0.00 0.35 0.00 -1.14 0.00 0.00 176.83 176.67 1gpx n GLN 87 N -0.73 0.56 -3.70 0.00 -0.06 0.16 -3.62 117.38 110.00 1gpx n GLN 87 Ca 0.54 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 55.21 1gpx n GLN 87 Cb 0.63 -0.86 -0.05 0.00 -4.06 0.00 0.00 30.24 25.90 1gpx n GLN 87 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1gpx s ILE 88 N -1.72 5.20 0.29 1.69 1.01 -1.25 -4.81 121.20 121.61 1gpx s ILE 88 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.83 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 0.16 0.10 -0.63 0.00 0.00 0.00 174.94 174.57 1gpx s ILE 89 N -1.52 3.57 -0.19 2.92 -1.09 -1.26 -3.56 121.20 120.05 1gpx s ILE 89 Ca 0.36 -1.71 -0.04 0.00 -2.23 0.00 0.00 60.65 57.03 1gpx s ILE 89 Cb -0.13 -3.03 -0.02 0.00 -1.58 0.00 0.00 42.46 37.71 1gpx s ILE 89 CO 0.22 -0.31 -0.03 -0.32 -1.23 0.00 0.00 174.94 173.27 1gpx s MET 90 N -3.78 3.52 0.39 2.79 1.75 0.42 -4.80 119.30 119.59 1gpx s MET 90 Ca 0.34 -0.57 0.08 0.00 -1.25 0.00 0.00 55.69 54.28 1gpx s MET 90 Cb -0.06 -2.99 -0.04 0.00 2.84 0.00 0.00 34.83 34.59 1gpx s MET 90 CO 0.22 -0.01 0.25 0.95 -0.65 0.00 0.00 175.02 175.78 1gpx s THR 91 N 1.01 2.76 -1.82 10.11 -4.23 -1.25 -2.88 115.64 119.34 1gpx s THR 91 Ca 0.01 -1.54 0.21 0.00 -1.18 0.00 0.00 61.69 59.19 1gpx s THR 91 Cb -0.15 -3.02 0.53 0.00 1.34 0.00 0.00 72.50 71.21 1gpx s THR 91 CO 0.01 -0.07 1.64 -0.81 -0.54 0.00 0.00 174.62 174.85 1gpx n PRO 92 N -1.33 0.55 -0.02 3.99 -0.04 -1.26 -2.99 135.00 133.89 1gpx n PRO 92 Ca -0.00 0.03 0.01 0.00 -0.04 0.00 0.00 63.50 63.50 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 -1.09 1.17 -0.92 0.54 0.28 -1.26 -4.49 120.64 114.86 1gpx n GLU 93 Ca 0.14 -0.06 -0.19 0.00 -0.16 0.00 0.00 57.16 56.89 1gpx n GLU 93 Cb 0.10 -1.26 0.10 0.00 1.43 0.00 0.00 31.44 31.81 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 -2.08 6.07 -4.78 -1.84 4.77 -1.16 -4.95 117.00 113.03 1gpx n LEU 94 Ca -0.08 -3.22 -0.37 0.00 -0.03 0.00 0.00 56.01 52.32 1gpx n LEU 94 Cb 0.51 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 1gpx n LEU 94 CO 0.22 1.04 0.62 1.51 -1.33 0.00 0.00 177.39 179.45 1gpx s ASP 95 N -0.60 7.31 0.00 -1.43 -4.77 -1.25 -3.95 116.67 111.98 1gpx s ASP 95 Ca 0.41 1.79 0.00 0.00 -3.30 0.00 0.00 52.55 51.45 1gpx s ASP 95 Cb 0.34 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.61 1gpx s ASP 95 CO 0.05 -0.06 0.00 0.61 0.70 0.00 0.00 175.17 176.47 1gpx n GLY 96 N 0.58 1.21 3.81 2.12 0.00 0.14 -4.68 105.19 108.37 1gpx n GLY 96 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 3.86 -0.15 -0.61 2.07 0.00 -4.91 121.20 119.46 1gpx s ILE 97 Ca 0.00 0.73 0.01 0.00 -1.41 0.00 0.00 60.65 59.98 1gpx s ILE 97 Cb 0.00 -3.35 0.02 0.00 0.13 0.00 0.00 42.46 39.26 1gpx s ILE 97 CO 0.00 -0.67 -0.17 -0.69 -1.91 0.00 0.00 174.94 171.51 1gpx s VAL 98 N -2.75 1.74 0.40 4.00 1.01 -1.26 -1.21 120.40 122.32 1gpx s VAL 98 Ca 0.61 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1gpx s VAL 98 Cb -0.15 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.68 1gpx s VAL 98 CO 0.47 0.49 0.46 0.52 0.00 0.00 0.00 175.10 177.03 1gpx n VAL 99 N 4.55 0.00 -3.63 2.92 0.31 0.40 -1.35 118.33 121.53 1gpx n VAL 99 Ca -0.19 -1.42 -0.13 0.00 -0.01 0.00 0.00 64.34 62.60 1gpx n VAL 99 Cb 0.50 -0.47 -0.07 0.00 -0.91 0.00 0.00 33.84 32.89 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 -3.42 -0.74 -0.31 4.52 1.11 0.74 -2.78 116.67 115.80 1gpx s ASP 100 Ca 0.35 1.39 -0.11 0.00 0.18 0.00 0.00 52.55 54.36 1gpx s ASP 100 Cb -0.03 1.40 -0.02 0.00 1.07 0.00 0.00 42.92 45.34 1gpx s ASP 100 CO 0.22 -0.24 0.19 -0.69 1.18 0.00 0.00 175.17 175.83 1gpx s VAL 101 N 0.50 4.97 1.10 -1.27 1.01 0.89 0.29 120.40 127.89 1gpx s VAL 101 Ca -0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1gpx s VAL 101 Cb -0.05 -3.49 0.25 0.00 0.00 0.00 0.00 36.38 33.09 1gpx s VAL 101 CO -0.02 0.09 1.05 -2.16 0.00 0.00 0.00 175.10 174.07 1gpx s PRO 102 N 1.68 -0.41 -0.90 2.72 0.04 -1.26 -3.40 135.00 133.47 1gpx s PRO 102 Ca 0.06 0.71 -0.01 0.00 0.04 0.00 0.00 61.00 61.80 1gpx s PRO 102 Cb -0.17 -1.62 0.23 0.00 0.04 0.00 0.00 34.50 32.98 1gpx s PRO 102 CO 0.09 -3.35 0.84 -0.40 0.04 0.00 0.00 177.00 174.22 1gpx n ASP 103 N -4.64 4.37 -4.13 6.66 5.75 -1.26 -4.78 116.55 118.53 1gpx n ASP 103 Ca 0.04 -3.18 -0.38 0.00 -0.01 0.00 0.00 54.79 51.26 1gpx n ASP 103 Cb 0.55 -1.05 -0.08 0.00 -1.03 0.00 0.00 41.12 39.52 1gpx n ASP 103 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1gpx s ARG 104 N -1.58 2.87 0.00 0.11 1.81 -1.26 -4.81 118.95 116.10 1gpx s ARG 104 Ca 0.29 -2.71 0.00 0.00 -1.72 0.00 0.00 55.73 51.59 1gpx s ARG 104 Cb -0.04 -3.87 0.00 0.00 -0.45 0.00 0.00 34.95 30.58 1gpx s ARG 104 CO -0.10 -1.21 0.93 1.04 -0.68 0.00 0.00 175.30 175.28 1gpx n GLN 105 N 3.25 2.39 0.00 3.54 6.02 -1.26 -5.05 117.38 126.27 1gpx n GLN 105 Ca 0.12 -1.35 0.00 0.00 -0.01 0.00 0.00 57.00 55.75 1gpx n GLN 105 Cb 0.39 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.64 1gpx n GLN 105 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92